Statistics of polymer extensions in turbulent channel flow.

PubMed

Bagheri, Faranggis; Mitra, Dhrubaditya; Perlekar, Prasad; Brandt, Luca

2012-11-01

We present direct numerical simulations of turbulent channel flow with passive Lagrangian polymers. To understand the polymer behavior we investigate the behavior of infinitesimal line elements and calculate the probability distribution function (PDF) of finite-time Lyapunov exponents and from them the corresponding Cramer's function for the channel flow. We study the statistics of polymer elongation for both the Oldroyd-B model (for Weissenberg number Wi<1) and the FENE model. We use the location of the minima of the Cramer's function to define the Weissenberg number precisely such that we observe coil-stretch transition at Wi ≈1. We find agreement with earlier analytical predictions for PDF of polymer extensions made by Balkovsky, Fouxon, and Lebedev [Phys. Rev. Lett. 84, 4765 (2000)] for linear polymers (Oldroyd-B model) with Wi <1 and by Chertkov [Phys. Rev. Lett. 84, 4761 (2000)] for nonlinear FENE-P model of polymers. For Wi >1 (FENE model) the polymer are significantly more stretched near the wall than at the center of the channel where the flow is closer to homogenous isotropic turbulence. Furthermore near the wall the polymers show a strong tendency to orient along the streamwise direction of the flow, but near the center line the statistics of orientation of the polymers is consistent with analogous results obtained recently in homogeneous and isotropic flows.

Numerical simulation of a lattice polymer model at its integrable point

NASA Astrophysics Data System (ADS)

Bedini, A.; Owczarek, A. L.; Prellberg, T.

2013-07-01

We revisit an integrable lattice model of polymer collapse using numerical simulations. This model was first studied by Blöte and Nienhuis (1989 J. Phys. A: Math. Gen. 22 1415) and it describes polymers with some attraction, providing thus a model for the polymer collapse transition. At a particular set of Boltzmann weights the model is integrable and the exponents ν = 12/23 ≈ 0.522 and γ = 53/46 ≈ 1.152 have been computed via identification of the scaling dimensions xt = 1/12 and xh = -5/48. We directly investigate the polymer scaling exponents via Monte Carlo simulations using the pruned-enriched Rosenbluth method algorithm. By simulating this polymer model for walks up to length 4096 we find ν = 0.576(6) and γ = 1.045(5), which are clearly different from the predicted values. Our estimate for the exponent ν is compatible with the known θ-point value of 4/7 and in agreement with very recent numerical evaluation by Foster and Pinettes (2012 J. Phys. A: Math. Theor. 45 505003).

Line Shifts in Rotational Spectra of Polyatomic Chiral Molecules Caused by the Parity Violating Electroweak Interaction

NASA Astrophysics Data System (ADS)

Stohner, J.; Quack, M.

2009-06-01

Are findings in high-energy physics of any importance in molecular spectroscopy ? The answer is clearly `yes'. Energies of enantiomers were considered as exactly equal in an achiral environment, e.g. the gas phase. Today, however, it is well known that this is not valid. The violation of mirror-image symmetry (suggested theoretically and confirmed experimentally in 1956/57) was established in the field of nuclear, high-energy, and atomic physics since then, and it is also the cause for a non-zero energy difference between enantiomers. We expect today that the violation of mirror-image symmetry (parity violation) influences chemistry of chiral molecules as well as their spectroscopy. Progress has been made in the quantitative theoretical prediction of possible spectroscopic signatures of molecular parity violation. The experimental confirmation of parity violation in chiral molecules is, however, still open. Theoretical studies are helpful for the planning and important for a detailed analysis of rovibrational and tunneling spectra of chiral molecules. We report results on frequency shifts in rotational, vibrational and tunneling spectra of some selected chiral molecules which are studied in our group. If time permits, we shall also discuss critically some recent claims of experimental observations of molecular parity violation in condensed phase systems. T. D. Lee, C. N. Yang, Phys. Rev., 104, 254 (1956) C. S. Wu, E. Ambler, R. W. Hayward, D. D. Hoppes, R. P. Hudson, Phys. Rev., 105, 1413 (1957) M. Quack, Angew. Chem. Intl. Ed., 28, 571 (1989) Angew. Chem. Intl. Ed., 41, 4618 (2002) M. Quack, J. Stohner, Chimia, 59, 530 (2005) M. Quack, J. Stohner, M. Willeke, Ann Rev. Phys. Chem. 59, 741 (2008) M. Quack, J. Stohner, Phys. Rev. Lett., 84, 3807 (2000) M. Quack, J. Stohner, J. Chem. Phys., 119, 11228 (2003) J. Stohner, Int. J. Mass Spectrometry 233, 385 (2004) M. Gottselig, M. Quack, J. Stohner, M. Willeke, Int. J. Mass Spectrometry 233, 373 (2004) R. Berger, G. Laubender, M. Quack, A. Sieben, J. Stohner, M. Willeke, Angew. Chem. Intl. Ed., 44, 3623 (2005) J. Stohner, M. Quack, to be published

Growth of YBCO Thin Films on TiN(001) and CeO2-Coated TiN Surfaces

DTIC Science & Technology

2012-02-01

Paranthaman, E.D. Specht , D.M. Kroeger, D.K. Christen, Q. He, B. Saffian, F.A. List, D.F. Lee, P.M. Martin, C.E. Klabunde, E. Hatfield, V.K. Sikka...Appl. Phys. Lett. 69 (1996) 1795. [4] M. Paranthaman, A. Goyal, F.A. List, E.D. Specht , D.F. Lee, P.M. Martin, Q. He, D.K. Christen, D.P. Norton, J.D

Robust SERS Enhancement Factor Statistics Using Rotational Correlation Spectroscopy

DTIC Science & Technology

2012-05-02

Polymer coatings quench the reaction , preventing further aggregation when a Raman active molecule is added. (B) The bulk Raman spectrum of MBA in...Schrof, W. J. Phys. Chem. A 2001, 105, 3673. (12) Jiang, J.; Bosnick, K.; Maillard , M.; Brus, L. J. Phys. Chem. B 2003, 107, 9964. (13) Talley, C. E

Impact of Backbone Rigidity on the Photomechanical Response of Glassy, Azobenzene-Functionalized Polyimides (Postprint)

DTIC Science & Technology

2014-01-13

Y .; Choi, H . H .; Hwang , H . K.; Kim, Y .; Lee , S .; Jang, S . H .; Kakimoto, M.; Takezoe, H . Jpn. J. Appl. Phys., Part 1: Regul. Pap. Short Notes Rev... H .; Vaia, R. A.; Tan, L. S .; White, T. J. Angew. Chem., Int. Ed. 2012, 51 (17), 4117−4121. (6) Wang, D. H .; Lee , K. M.; Yu, Z. N .; Koerner, H .; Vaia...J. Macromol. Chem. Phys. 2013, 214 (11), 1189−1194. (8) Wang, D. H .; Lee , K. M.;

Ring-polymer instanton theory of electron transfer in the nonadiabatic limit

DOE Office of Scientific and Technical Information (OSTI.GOV)

Richardson, Jeremy O., E-mail: jeremy.richardson@fau.de

We take the golden-rule instanton method derived in the previous paper [J. O. Richardson, R. Bauer, and M. Thoss, J. Chem. Phys. 143, 134115 (2015)] and reformulate it using a ring-polymer instanton approach. This gives equations which can be used to compute the rates of electron-transfer reactions in the nonadiabatic (golden-rule) limit numerically within a semiclassical approximation. The multidimensional ring-polymer instanton trajectories are obtained efficiently by minimization of the action. In this form, comparison with Wolynes’ quantum instanton method [P. G. Wolynes, J. Chem. Phys. 87, 6559 (1987)] is possible and we show that our semiclassical approach is the steepest-descentmore » limit of this method. We discuss advantages and disadvantages of both methods and give examples of where the new approach is more accurate.« less

Introduction of Environmentally Degradable Parameters to Evaluate the Biodegradability of Biodegradable Polymers

PubMed Central

Yang, Chao; Song, Cunjiang; Geng, Weitao; Li, Qiang; Wang, Yuanyuan; Kong, Meimei; Wang, Shufang

2012-01-01

Environmentally Degradable Parameter (Ed K) is of importance in the describing of biodegradability of environmentally biodegradable polymers (BDPs). In this study, a concept Ed K was introduced. A test procedure of using the ISO 14852 method and detecting the evolved carbon dioxide as an analytical parameter was developed, and the calculated Ed K was used as an indicator for the ultimate biodegradability of materials. Starch and polyethylene used as reference materials were defined as the Ed K values of 100 and 0, respectively. Natural soil samples were inoculated into bioreactors, followed by determining the rates of biodegradation of the reference materials and 15 commercial BDPs over a 2-week test period. Finally, a formula was deduced to calculate the value of Ed K for each material. The Ed K values of the tested materials have a positive correlation to their biodegradation rates in the simulated soil environment, and they indicated the relative biodegradation rate of each material among all the tested materials. Therefore, the Ed K was shown to be a reliable indicator for quantitatively evaluating the potential biodegradability of BDPs in the natural environment. PMID:22675455

Termolecular Associations of Ions in Gases, Recombination and Electron-Atom Collisions

DTIC Science & Technology

1989-09-30

its ok, . ight to many important 0 U applications (e.g., exciplex lasers, KrF , XeCl etc.) ..c also it represents the simplest three-body chemical...Lon.) A 35, 287-301. 11. ibid., 1982, J. Phys. B: At. ol . Phys. 15, 1949-56. 12. Bates, D. R., and Moffett, 1966, Proc. Roy. Soc. (Lon.) A 21, 1-8. 13...Invariant Imbedding and Integral Equations, (P. Nelson, V. Faber, T. A. Nanteuffel, D. A. Seth and A. B. White , Jr., eds.) Marcel Dekker. 18. Ferziger, J

Polymer-Oxide Nanolayer/Al Composite Cathode for Efficient Polymer Light-Emitting Diodes

DTIC Science & Technology

2007-06-30

4. Influence of polymer gate dielectrics on n-channel conduction of pentacene -based organic field-effect transistors J. Appl. Phys. 101, 124505...molecular materials, including rubrene, 1,3,5-tris(2-N-phenyl-benzimidzolyl)benzene (TPBI), pentacene , and 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline...BCP, and pentacene . The inset in Fig. 3 presents the molecular structures. TPBI is often utilized as an effective electron injection and hole-blocking

Unclassified Publications of Lincoln Laboratory. Volume 8

DTIC Science & Technology

1981-12-15

F.J. Leonberger 5076 Formation of the XeBr Exciplex D.J. Ehrlich J. Chem. Phys. 73, 3038 by Xe-Br 2(D’) Collisions R.M. Osgood, Jr. (1980), DTIC AD-AI0...Processing of Materials, plantation and Laser J.P. Donnelly C.W. White and P.S. Peercy, Annealing D.E. Mull Eds. (Academic Press, New R. Bradbury York, 1980...Materials, Amorphous Ge Films: The R.P. Gale C.W. White and P.S. Peercy. Role of Latent Heat in Crystal- R.L. Chapman Eds. (Academic Press, New

An Advanced Flash Suppression Network Involving Alkali Salts

DTIC Science & Technology

1984-12-01

Potassium Tetroxide," J. Chem. -hys. Vol.4, p. 4 5 8 , 1936. A-8. JANAF Thermochemical Tables, 2nd Ed., D. R. Stull and H. Prophet, NSRDS-NBS-73, June 1971. A...34Structure of Potassium Tetroxide," J. Chem. Phys., Vol.4, p. 4 58 , 1936. A-8. JANAF Thlermochemical Tables, 2nd Ed., D. L Stull and H1. Prophet, NSRDS-NBS...A. Dean Washington, DC 20332 N. Chou P.O. Box 45 1Linden, NJ 07036 Kirtland AFB, NM 87117 Dirctor I Ford Aerospace and I N SIC Communications Corp

On Non-Linear Sensitivity of Marine Biological Models to Parameter Variations

DTIC Science & Technology

2007-01-01

M.B., 2002. Understanding uncertain enviromental systems. In: Grasman, J., van Straten, G. (Eds.), Predictability and Nonlinear Modelling in Natural...model evaluations to compute sensitivity indices. Comput. Phys. Commun. 145, 280–297. Saltelli, A., Andres, T.H., Homma, T., 1993. Some new techniques

Three-Halves Law in Sunspot Cycle Shape,

DTIC Science & Technology

1987-07-01

Naturwiss., 47, 197. Kiepenheuer, K.O., (1953). The Sun, G. Kuiper, ed., Chicago University Press, p. -324. Waldmeier, M., (1935). Asir . Mitt. Zirich...133, 105. Waldmeier, M., (1968). Asir . Mitt. Zirich, 358, 23. Williams, G.E., (1981). Nature, 291, 624. Williams, G.E., (1985). Aust. J. Phys., 38

Like-charge attraction and opposite-charge decomplexation between polymers and DNA molecules

NASA Astrophysics Data System (ADS)

Buyukdagli, Sahin

2017-02-01

We scrutinize the effect of polyvalent ions on polymer-DNA interactions. We extend a recently developed test-charge theory [S. Buyukdagli et al., Phys. Rev. E 94, 042502 (2016), 10.1103/PhysRevE.94.042502] to the case of a stiff polymer interacting with a DNA molecule in an electrolyte mixture. The theory accounts for one-loop level electrostatic correlation effects such as the ionic cloud deformation around the strongly charged DNA molecule as well as image-charge forces induced by the low DNA permittivity. Our model can reproduce and explain various characteristics of the experimental phase diagrams for polymer solutions. First, the addition of polyvalent cations to the electrolyte solution results in the attraction of the negatively charged polymer by the DNA molecule. The glue of the like-charge attraction is the enhanced shielding of the polymer charges by the dense counterion layer at the DNA surface. Second, through the shielding of the DNA-induced electrostatic potential, mono- and polyvalent cations of large concentration both suppress the like-charge attraction. Within the same formalism, we also predict a new opposite-charge repulsion effect between the DNA molecule and a positively charged polymer. In the presence of polyvalent anions such as sulfate or phosphate, their repulsion by the DNA charges leads to the charge screening deficiency of the region around the DNA molecule. This translates into a repulsive force that results in the decomplexation of the polymer from DNA. This opposite-charge repulsion phenomenon can be verified by current experiments and the underlying mechanism can be beneficial to gene therapeutic applications where the control over polymer-DNA interactions is the key factor.

Highly Crystalline and Low Bandgap Donor Polymers for Efficient Polymer Solar Cells

DTIC Science & Technology

2012-01-01

thanks Dr. Ina Martin and Dr. Yuhua Xue for technical support. Received: September 21, 2011 Published online: December 20, 2011 542 www.advmat.de...M. Chen, Y. Yang, Adv. Mater. 2009, 21, 4238. [12] E. G. Wang, L. Wang, L. F. Lan, C. Luo, W. L. Zhuang, J. B. Peng, Y. Cao , Appl. Phys. Lett. 2008

Tunable Polymer Lens

DTIC Science & Technology

2008-08-04

can also be initiated mechanically to produce variable lenses [9-11]. Recent work shows lens properties of a controlled liquid drop shape, with no... liquid crystal spherical lens ," Appl. Phys. Lett. 84, 4789-4791 (2004). 3. H. W. Ren, D. W. Fox, B. Wu, and S. T. Wu, " Liquid crystal lens with large...and S. S. Lee, "Focal tunable liquid lens integrated with an electromagnetic actuator," Appl. Phys. Lett. 90, 121129 (2007). 10. H. W. Ren, D. Fox

Distribution of transverse chain fluctuations in harmonically confined semiflexible polymers

NASA Astrophysics Data System (ADS)

Sharma, Rati; Cherayil, Binny J.

2012-05-01

Two different experimental studies of polymer dynamics based on single-molecule fluorescence imaging have recently found evidence of heterogeneities in the widths of the putative tubes that surround filaments of F-actin during their motion in concentrated solution. In one [J. Glaser, D. Chakraborty, K. Kroy, I. Lauter, M. Degawa, N. Kirchesner, B. Hoffmann, R. Merkel, and M. Giesen, Phys. Rev. Lett. 105, 037801 (2010)], 10.1103/PhysRevLett.105.037801, the observations were explained in terms of the statistics of a worm-like chain confined to a potential determined self-consistently by a binary collision approximation, and in the other [B. Wang, J. Guan, S. M. Anthony, S. C. Bae, K. S. Schweizer, and S. Granick, Phys. Rev. Lett. 104, 118301 (2010)], 10.1103/PhysRevLett.104.118301, they were explained in terms of the scaling properties of a random fluid of thin rods. In this paper, we show, using an exact path integral calculation, that the distribution of the length-averaged transverse fluctuations of a harmonically confined weakly bendable rod (one possible realization of a semiflexible chain in a tube), is in good qualitative agreement with the experimental data, although it is qualitatively different in analytic structure from the earlier theoretical predictions. We also show that similar path integral techniques can be used to obtain an exact expression for the time correlation function of fluctuations in the tube cross section.

Nanotechnology for the Solid Waste Reduction of Military Food Packaging

DTIC Science & Technology

2015-02-01

processability of the polymer (i.e. viscosity ), as is characteristic with conventional macroscopic fillers. When dispersed throughout the polymer and...approximately half the 3 Figure 4. Conventional Composites vs. Nanocomposites Layer ed Clay M o n o m er In Intercalated Na noc om pos ite...polymer/ clay layers. Exfoliation occurs when the clay platelets become further separated by the polymer chains. The separation distance can be from 80

Self-assembly and glass-formation in a lattice model of telechelic polymer melts: Influence of stiffness of the sticky bonds

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu, Wen-Sheng, E-mail: wsxu@uchicago.edu; Freed, Karl F., E-mail: freed@uchicago.edu; Department of Chemistry, The University of Chicago, Chicago, Illinois 60637

2016-06-07

Telechelic polymers are chain macromolecules that may self-assemble through the association of their two mono-functional end groups (called “stickers”). A deep understanding of the relation between microscopic molecular details and the macroscopic physical properties of telechelic polymers is important in guiding the rational design of telechelic polymer materials with desired properties. The lattice cluster theory (LCT) for strongly interacting, self-assembling telechelic polymers provides a theoretical tool that enables establishing the connections between important microscopic molecular details of self-assembling polymers and their bulk thermodynamics. The original LCT for self-assembly of telechelic polymers considers a model of fully flexible linear chains [J.more » Dudowicz and K. F. Freed, J. Chem. Phys. 136, 064902 (2012)], while our recent work introduces a significant improvement to the LCT by including a description of chain semiflexibility for the bonds within each individual telechelic chain [W.-S. Xu and K. F. Freed, J. Chem. Phys. 143, 024901 (2015)], but the physically associative (or called “sticky”) bonds between the ends of the telechelics are left as fully flexible. Motivated by the ubiquitous presence of steric constraints on the association of real telechelic polymers that impart an additional degree of bond stiffness (or rigidity), the present paper further extends the LCT to permit the sticky bonds to be semiflexible but to have a stiffness differing from that within each telechelic chain. An analytical expression for the Helmholtz free energy is provided for this model of linear telechelic polymer melts, and illustrative calculations demonstrate the significant influence of the stiffness of the sticky bonds on the self-assembly and thermodynamics of telechelic polymers. A brief discussion is also provided for the impact of self-assembly on glass-formation by combining the LCT description for this extended model of telechelic polymers with the Adam-Gibbs relation between the structural relaxation time and the configurational entropy.« less

Dispersion and Reinforcement of Nanotubes in High Temperature Polymers for Ultrahigh Strength and Thermally Conductive Nanocomposites

DTIC Science & Technology

2007-10-03

system lies in the contact resistance which would be discussed later. Figure 49. The surface resistivity of...Shouping Li et al. [62] ZhiMin Dang et al., Appl. Phys. Lett. 2004, 85, 1. [63] B.K. Zhu et al. Composites Science and Technology 2006, 66, 548. [64...Hiroki Ago et al., Phys. Rev. B 2000, 61, 3. [65] Yonglai Yang et al. Nanotechnology 2004, 15, 1545. [66] Xiaofeng Lu, Jiani Zheng, Danming Chao

NMR Imaging of Elastomeric Materials

DTIC Science & Technology

1992-08-31

1991, 10, 59. (Ill Cory, D.G., Miller, J.B., 7Turner, R., Garroway , A.N., Mol. Phys. 1990, 70, 331-7 [121 Jezzard, P., Carpenter, T.A., Hall, L.D.{Polym...SPE Paper 18272, 63rd Annual Technical Conference and Exhibition, Houston, TX, Oct. 2-5, 1988. 9. D.G. Cory, J.B. Miller, R. Turner, and A.N. Garroway ...B.; Turner, R.; Garroway , A. N. Mol. as the cause of the arrowhead artifacts. We thank An- Phys. I", 70, 331. nadell Fowler and John Pearce for

Watching Conformations of Biomolecules: a Microwave Spectroscopy Approach

NASA Astrophysics Data System (ADS)

Lopez, J. C.

2011-06-01

The combination of laser ablation with Fourier transform microwave spectroscopy in supersonic jets (LA-MB-FTMW) has made possible the gas-phase study of solid biomolecules with high melting points. In the experiment, solids are efficiently vaporized by a high-energy laser pulse, supersonically expanded into a evacuated Fabry-Perot cavity and characterised by their rotational spectra. Recent improvements such as the use of picosecond pulse lasers, new ablation nozzles and the extension of the range of the spectrometers to low frequecy have notably increased the sensitivity of our experimental setup. To date different α-, β- and γ-amino acids have been studied using this technique, making possible the characterization of their preferred conformations and gaining insight in the role of intramolecular interactions. Even in conformationally challenging systems the different rotamers of such biomolecules can be identified by rotational spectroscopy as can be illustrated by the assignment of six low-energy conformers in cysteine and aspartic acid, seven in serine and threonine,^a and nine in γ-amino butyric acid (GABA). In all cases the low-energy conformers have been conclusive identified from their experimental rotational and 14N quadrupole coupling constants. The spectra of neurotransmitters and of the nucleic acid bases uracil, thymine, cytosine and guanine have also been studied and their preferred conformers or tautomeric forms determined. The complexes between amino acids and nucleic acid bases with water have also been investigated to obtain information on the possible changes induced in the conformational or tautomeric preferences by the addition of solvent molecules. J. L. Alonso, C. Pérez, M. E. Sanz, J. C. López, S. Blanco, Phys. Chem. Chem. Phys. 11, 617-627 (2009) and references therein M. E. Sanz, J. C. López, J. L. Alonso, Phys. Chem. Chem. Phys., 12, 3573-3578 (2010) S. Blanco, J. C. López, S. Mata and J. L. Alonso, Angew. Chem. Int. Ed. 49, 9187 (2010) J. L. Alonso, M. E. Sanz, J. C. López, V. Cortijo, J. Am. Chem. Soc. 131, 4320 (2009) J. L. Alonso, I. Peña, J. C. López, V. Vaquero, Angew. Chem. Int. Ed. 49, 6141 (2009) J. C. López, J. L. Alonso, I. Peña, V. Vaquero, Phys. Chem. Chem. Phys., 12, 3573-3578 (2010)

Negative Differential Resistance in Insulating Systems: From Molecules to Polymers

NASA Astrophysics Data System (ADS)

Pati, Swapan

2007-03-01

We have developed a microscopic theory to explain the negative differential resistance behavior in molecular bridges. This feature has been observed in many molecules with different on/off ratios, sharpness of the current peak and the critical bias. Our theory, based on simple dimer model (both Peierls and donor/acceptor) together with bias driven conformational/ electronic change, covers almost all the experimental characteristics for a large number of real molecular systems and encompasses all the theory that has been known till date. Similar argument is also extended to Mott insulator, where we find a large number of insulator/quasi-metal transitions in finite size chains and a thermodynamic insulator/metal transition in polymers due to the application of static electric field between two ends of the chain. The interplay between charge inhomogenities and electric field induced polarization will be discussed in a number of cases. We will also show that none of these transitions follow Landau-Zener mechanism. I shall also discuss our theoretical proposal for the experimental strategies to stabilize highly unstable and reactive metal clusters like Al4Li4 and their analogs. Reference: 1. S. Lakshmi and Swapan K. Pati, Phys. Rev. B 72, 193410 (2005). 2. S. Lakshmi, Ayan Datta and Swapan K. Pati, Phys. Rev. B 72, 045131 (2005). 3. S. Lakshmi and Swapan K. Pati, Spl on Nanosc and Tech, Pramana, 65, 593. (2005). 4. S. Sengupta, S. Lakshmi and Swapan K Pati, J. Phys. Cond. Mat. 18, 9189 (2006). 5. Swapan K. Pati and S. Ramasesha, J. Phys. Condens. Matter 16, 989 (2004). 6. S.Lakshmi and Swapan K. Pati, J. Chem. Phys. 121, 11998 (2004). 7. S. Dutta, S. Lakshmi and Swapan K Pati, Submitted (2006). 8. A. Datta and Swapan K. Pati, J. Am. Chem. Soc. 127, 3496 (2005). 9. Sairam S. M., A. Datta and Swapan K. Pati, J. Phys. Chem. B 110, 20098 (2006). 10. A. Datta, Sairam S. M. and Swapan K. Pati, Acc. Chem. Res. (to appear)

Thermo-Mechanical and Thermal Behavior of High-Temperature Structural Materials.

DTIC Science & Technology

1980-12-31

glass insulating tape to prevent fracture due to unknown stresses at Lhe rod ends. Because of the very high density of cracks in the alumina, this...143. [31] 0. L. Bowie, J. Math. Phys. 35 (1956) 60. [32] F. Erdogan : in Fracture Mechanics of Ceramics, Vol. 1, ed. by R. C. f Bradt, D. P. H

The New Phys Ed.: Dodgeball Is Passe; Schools Are Teaching Lifelong Fitness

ERIC Educational Resources Information Center

Schachter, Ron

2011-01-01

A growing number of physical education teachers are introducing a new kind of P.E. in schools, emphasizing lifelong activities such as running, cycling, yoga, and skateboarding, in an attempt to make exercise more engaging--and lifelong--for elementary and middle school students. The new generation of P.E. classes is introducing youngsters to…

Analysis of Geophysical Data Bases and Models for Spacecraft Interactions.

DTIC Science & Technology

1986-10-31

Comp. Phys., 12, 124 (1973). 4. A. B. Langdon and B. F. Lasinski, in "Methods in Computational Physics", Volume 9, B. Alder et al, eds., Academic Press...ADA174441. 7. Chen, F.F., Electric Probes, in "Plasma Diagnostic Techniques", ed. by R.H. Huddlestone and L.L. Lennard, Academic Press, N.Y. 1965. 8...q~. i-o raf t p4)51 t i i n , the -"fj’P I f o,A it** t hat p< in1 the spa-Puraft ’- Attitude anid sp, p A~ta t tie I’ ielt iti1,ai .,f IheP maqn e

A look at the effect of sequence complexity on pressure destabilisation of DNA polymers.

PubMed

Rayan, Gamal; Macgregor, Robert B

2015-04-01

Our previous studies on the helix-coil transition of double-stranded DNA polymers have demonstrated that molar volume change (ΔV) accompanying the thermally-induced transition can be positive or negative depending on the experimental conditions, that the pressure-induced transition is more cooperative than the heat-induced transition [Rayan and Macgregor, J Phys Chem B2005, 109, 15558-15565], and that the pressure-induced transition does not occur in the absence of water [Rayan and Macgregor, Biophys Chem, 2009, 144, 62-66]. Additionally, we have shown that ΔV values obtained by pressure-dependent techniques differ from those obtained by ambient pressure techniques such as PPC [Rayan et al. J Phys Chem B2009, 113, 1738-1742] thus shedding light on the effects of pressure on DNA polymers. Herein, we examine the effect of sequence complexity, and hence cooperativity on pressure destabilisation of DNA polymers. Working with Clostridium perfringes DNA under conditions such that the estimated ΔV of the helix-coil transition corresponds to -1.78 mL/mol (base pair) at atmospheric pressure, we do not observe the pressure-induced helix-coil transition of this DNA polymer, whereas synthetic copolymers poly[d(A-T)] and poly[d(I-C)] undergo cooperative pressure-induced transitions at similar ΔV values. We hypothesise that the reason for the lack of pressure-induced helix-coil transition of C. perfringens DNA under these experimental conditions lies in its sequence complexity. Copyright © 2015 Elsevier B.V. All rights reserved.

Superconducting Generators for Airborne Applications and YBCO-Coated Conductors (Preprint)

DTIC Science & Technology

2008-10-01

Maiorov, M. E. Hawley , M. P. Maley, D. E. Peterson, “Strongly enhanced current densities in superconducting coated conductors of YBa2Cu3O7-x + BaZrO3...ed., New York: Taylor and Francis, 2001. [17] S. P. Ashworth, M. Maley, M. Suenaga, S. R. Foltyn, and J. O. Willis , J. Appl. Phys., vol. 88, p

Incorporating YBCO Coated Conductors in High-speed Superconducting Generators

DTIC Science & Technology

2008-07-01

Maiorov, M. E. Hawley , M. P. Maley, D. E. Peterson, ―Strongly enhanced current densities in superconducting coated conductors of YBa2Cu3O7-x + BaZrO3...2nd ed., New York: Taylor and Francis, 2001. [23] S. P. Ashworth, M. Maley, M. Suenaga, S. R. Foltyn, and J. O. Willis , J. Appl. Phys., vol. 88

A Teacher's Guide to Including Students with Disabilities in General Physical Education, Third Edition

ERIC Educational Resources Information Center

Block, Martin E.

2007-01-01

This book, provides a comprehensive guide to making phys. ed. inclusion work for students of all ages. In this new edition of the trusted bestseller, renowned expert Martin E. Block and a select group of highly respected contributors provide: (1) new information reflecting all the latest updates to IDEA, other disability-related legislation, and…

Tables of X-ray absorption corrections and dispersion corrections: the new versus the old

NASA Astrophysics Data System (ADS)

Creagh, Dudley

1990-11-01

This paper compares the data on X-ray absorption coefficients calculated by Creagh and Hubbell and tabulated in International Tables for Crystallography, vol. C, ed. A.J.C. Wilson (1990) section 4.2.4 [1] with empirical (Saloman, Hubbell and Scofield, At. Data and Nucl. Data Tables 38 (1988) 1, [6]) and semi-empirical (Hubbell, McMaster, Kerr Del Grande and Mallett, in: International Tables for Crystallography, vol. IV, eds. Ibers and Hamilton (Kynoch, Birmingham, 1974) [2]) tabulations as well as the renormalized relativistic Dirac-Hartree-Fock calculations of Scofield [6]. It also makes comparisons of the real part of the dispersion correction ƒ‧(ω, 0) and tabulated in ref. [1], with theoretical data sets (Cromer and Liberman, J. Chem. Phys. 53 (1970) 1891, and Acta Crystallogr. A37 (1981) 267 [4,5]; Wang, Phys. Rev. A34 (1986) 636 [85]; Kissel, in: Workshop Report on New Dimensions in X-ray Scattering, CONF-870459 (Livermore, 1987) p. 9 [86]) and data collected using a variety of experimental techniques. In both cases the data tabulated in ref. [1] is shown to give improved self-consistency and agreement with experiment.

Towards Solvation of a Chiral Alpha-Hydroxy Ester: Broadband Chirp and Narrow Band Cavity Fouirier Transform Microwave Spectroscopy of Methyl Lactate-Water Clusters

NASA Astrophysics Data System (ADS)

Thomas, Javix; Sukhorukov, Oleksandr; Jaeger, Wolfgang; Xu, Yunjie

2013-06-01

Methyl lactate (ML), a chiral alpha-hydroxy ester, has attracted much attention as a prototype system in studies of chirality transfer,[1] solvation effects on chiroptical signatures,[2] and chirality recognition.[3] It has multiple functional groups which can serve both as a hydrogen donor and acceptor. By applying rotational spectroscopy and high level ab initio calculations, we examine the delicate competition between inter- and intramolecular hydrogen-bonding in the ML-water clusters. Broadband rotational spectra obtained with a chirp Fourier transform microwave (FTMW) spectrometer, reveal that the insertion conformations are the most favourable ones in the binary and ternary solvated complexes. In the insertion conformations, the water molecule(s) inserts itself (themselves) into the existing intramolecular hydrogen-bonded ring formed between the alcoholic hydroxyl group and the oxygen of the carbonyl group of ML. The final frequency measurements have been carried out using a cavity based FTMW instrument where internal rotation splittings due to the ester methyl group have also been detected. A number of insertion conformers with subtle structural differences for both the binary and ternary complexes have been identified theoretically. The interconversion dynamics of these conformers and the identification of the most favorable conformers will be discussed. 1. C. Merten, Y. Xu, Angew. Chem. Int. Ed., 2013, 52, 2073 -2076. 2. M. Losada, Y. Xu, Phys. Chem. Chem. Phys., 2007, 9, 3127-3135; Y. Liu, G. Yang, M. Losada, Y. Xu, J. Chem. Phys., 2010, 132, 234513/1-11. 3. A. Zehnacker, M. Suhm, Angew. Chem. Int. Ed. 2008, 47, 6970 - 6992.

PREFACE: Science's gem: diamond science 2009 Science's gem: diamond science 2009

NASA Astrophysics Data System (ADS)

Mainwood, Alison; Newton, Mark E.; Stoneham, Marshall

2009-09-01

Natural diamond has been valued for its appearance and mechanical properties for at least two thousand years. As a gem stone diamond is unsurpassed. However, scientific work, especially in the last 20 years, has demonstrated that diamond has numerous surprising properties and many unique ones. Some of the extreme properties have been known for many years, but the true scale of diamond's other highly desirable features is still only coming to light as control in the synthesis of diamond, and hence material perfection, improves. The ultimate prize for man-made diamond is surely not in the synthesis of gem stones, but in delivering technological solutions enabled by diamond to the challenges facing our society today. If the special properties are to be exploited to their full potential, at least four crucial factors must be considered. First, there must be sufficient scientific understanding of diamond to make applications effective, efficient and economical. Secondly, the means of fabrication and control of properties have to be achieved so that diamond's role can be optimised. Thirdly, it is not enough that its properties are superior to existing materials: they must be so much better that it is worth initiating new technologies to exploit them. Finally, any substantial applications will have to address the society's major needs worldwide. The clear technology drivers for the 21st century come from the biomedical technologies, the demand for energy subject to global constraints, and the information technologies, where perhaps diamond will provide the major enabling technology [1]. The papers in this volume concern the solid state physics of diamond, and primarily concern the first two factors: understanding, and control of properties. They address many of the outstanding basic problems, such as the identification of existing defects, which affect the material's properties, both desirable and less so. Regarding future substantial applications, one paper discusses diamond's exceptional properties for quantum information processing [2], a topic on which there have been many recent papers, and where a diamond colour centre single photon source is already commercially available. Biomedical applications of diamond are recognised, partly tribological and partly electrochemical, but lie outside the present group of papers. Processing and controlling diamond surfaces and interfaces with other materials in their environment are critical steps en route to exploitation. Boron-doped diamond has already found application in electro-analysis and in the bulk oxidation of dissolved species in solution [3]. Energy-related applications—ranging from high-power electronics [3] to a potential first wall of fusion reactors [4]—are further exciting potential applications. Even small and ugly diamonds have value. Their mechanical properties [5] dominate, with significant niche applications such as thermal sinks. The major applications for diamond to date exploit only a fraction of diamond's special properties: visual for status diamonds, and mechanical for working diamonds. Diamond physics reaches well beyond the usual laboratory, to the geological diamond formation processes in the Earth's mantle. Characterization of natural gem diamonds [6, 7] is one part of the detective story that allows us to understand the conditions under which they formed. It was only half a century ago that the scientific and technological challenges of diamond synthesis were met systematically. Today, most of the recent research on diamond has concentrated on synthetics, whether created using high pressure, high temperature (HPHT) techniques or chemical vapour deposition (CVD). The HPHT synthesis of diamond has advanced dramatically [8, 9] to the extent that dislocation birefringence [10] can be largely eliminated. In silicon technology, the elimination of dislocations was a major step in microelectronics. Now, even diamond can be synthesised containing virtually no dislocations. The understanding of the critical processes that are involved in CVD diamond growth are becoming clearer. Two papers in this issue model it on a microscopic scale [11, 12], and a further two explore the practical techniques [13, 14] in order to lead to improvement in deposition techniques. Diamond is emerging as an engineering material [3] with its cost no longer regarded as prohibitive even for some large-scale uses, such as the fusion reactor first wall. It is striking how few useful dopants can be put into diamond in a controlled way. The studies reported here, whether theory or experiment, concentrate on phosphorus [14] as the donor, and demonstrate that boron (although deep in semiconductor terms,) can act as the acceptor [3] in practical devices. Other impurities, with deeper levels, such as nitrogen [15], with the muon as an honorary hydrogen [16], are studied in depth. Here, many of the characterization techniques developed over several decades have been brought to bear, to attempt to quantify impurities and defects and ultimately assist in improving the crystal quality [17, 18, 15]. However, further, more novel techniques such as reflection anisotropy spectroscopy [19] and luminescence lifetime mapping [20] have been introduced to diamond in this issue, and one can see how such techniques might play a crucial role in areas such as systems for quantum information processing. The presence and migration of radiation damage defects [21, 22], vacancies and interstitials, and vacancy clusters can dramatically influence the exploitable properties of diamond [23, 24]. It is now apparent that charge traps not only impact on electrical properties, but also on the colour of diamond and that thermo-chromic and photo-chromic effects are more common than previously thought [25, 23]. Combinations, like the negatively charged nitrogen-vacancy centre, have proved impressive in quantum information studies [26]. But diamond has yet to benefit from the sort of dopant engineering that has helped silicon to become ubiquitous. It is becoming clear that because of the deep ionisation energies of the dopants that can be incorporated into diamond, conventional semiconductor physics can only be applied at high temperatures; rather different technologies have to be exploited to ensure that diamond's potential for devices is fulfilled. There are technical improvements which need to be made: the elimination of defects that trap carriers, cause de-coherence, affect the colour or strength, or have other serious effects in the relevant application, and the development of robust ohmic contacts [27]. The material developments of the last 50 years include silicon becoming the semiconductor of choice, many new and better-developed polymers, the transformation of communications by silica-based optical fibres, and the emergence of synthetic diamond. Could diamond's special virtues yield major new opportunities? Its optical properties are exceptional, usually in desirable ways (high refractive indices can create indirect problems). The mechanical properties are truly outstanding, again usually in desirable ways (adhesion can be challenging). The thermal properties are similarly exceptional, with a thermal conductivity that exceeds copper. Diamond withstands aggressive environments, including extremes of pH. Its carrier mobility can be phenomenal, and electron emission can be excellent. Moreover, diamond can be compatible with silicon electronics, even if the involvement of a second material is inconvenient. Here the problems start. Even limited developments could be significant. For instance, the ability to control the populations of the various N, B, P and vacancy centres would open up potentially unique optoelectronic and spintronic opportunities. Control of diamond's properties is difficult, but this is where basic research can help (using all the techniques explored in this issue, and more). It is barely practical to create n-type diamond, but unipolar devices, exploiting excellent quality boron doped p-type material, can be designed [3]. Electrical contacts can be tricky to fabricate, but progress is being made here [3, 27]. Diamond is perceived as unacceptably expensive, but for a high-quality device for an exceptional environment, this is not a problem. Carbon-based electronic materials are strikingly diverse. They include diamond, graphite, nanotubes and buckyball structures, amorphous carbons, and nanodiamond. Add hydrogen and one has a range of diamond-like carbons and the wealth of organics. Such carbon-based materials include small molecules and polymers: impressive insulators, semiconducting and conducting polymers, switchable forms, superconducting and magnetic forms, and some with the highest electrical conductivities of any material. Diamond-like carbons can have controllable mechanical properties from the viscoelastic to the highly rigid. Photochemistry brings opportunities for novel processing methods. Even water-based processing may sometimes be possible (alas, not for diamond), and additional tools like self-organisation of organic molecules on surfaces have been demonstrated. The best carbons have impressive, sometimes supreme, performances, including the mobility and optical properties of diamond, spin-conserving transport in carbon nanotubes, and electron emission. For almost all measures of performance, there is some carbon-based material that performs better than silicon. Might hybrid carbon-based materials be more successful even than silicon [28]? Should we think less about 'diamond' and more about the integration of diamond as one component of carbon electronics? Device fabrication needs lithography optics and resists, and processing at the anticipated smaller scales may well exploit new electronic excitation methods. Alternative dielectrics and interconnect materials introduce new compatibility issues, and there are further varied constraints from displays, spintronic components, electron emitters or transparent conductors. Could the many carbon-based materials with interesting functional properties lead to a new class of alternative systems? This collection of papers was brought together to celebrate 60 years of conferences sponsored by the De Beers Group of companies on the science and technology of diamond. The transformation of diamond science and technology over those 60 years can be seen in varied ways. First, there has been a series of books stimulated by the conferences [29-31] complementing numerous other more recent texts on diamond (e.g. [32]). These show a striking evolution from the early pioneering studies of tribology, radiation damage, and thermal and optical properties to a wider range of electronic properties, spectroscopies, and characterization from the macroscopic to nanoscopic scales, as well as the now almost universal dialogue between experiment and theory. Secondly, new experimental and theoretical techniques have emerged, many of which are featured in the papers in this issue. Thirdly, there is a range of new technologies only made possible because of the catalytic role of the conferences. These include the spectroscopies that distinguish natural from synthetic or treated diamonds in a way that earns customer confidence. There are also new customer products, like speaker domes, where success has depended on the understanding of mechanical properties at a level not commonly available. Potentially big applications, like the fusion reactor's first wall, will follow on from early radiation damage studies. Fourthly, the young scientists who have been supported over the years have now made their way in many fields, not just diamond research, but certainly including technologies that use diamond. The sponsorship of science in this field has benefited both those supported and those who provide that support. Finally, we see serious thoughts about what might be the big new technologies of the 21st century, since these will need a fundamental understanding of materials properties and their control. There has been exceptional progress in this area, in specimen sizes, quality, and performance. These massive improvements in materials availability create opportunities for the major technological applications in the energy, environment, health and information technologies that will surely drive the big industrial expansions over the next decades. References [1] Stoneham A M 2007 Thinking about diamond (ed P Bergonzo, R Gat, R B Jackman and C E Nebel) MRS Proc. 956 1-10 [2] Stoneham A M 2008 Future Perspectives for Diamond for Physics and Applications of CVD Diamond ed S Koizumi, M Nesladek and C E Nebel (New York: Wiley-VCH) [3] Balmer R S et al 2009 J. Phys.: Condens. Matter 21 364221 [4] Stoneham A M, Matthews J R and Ford I J 2004 J. Phys.: Condens. Matter 16 S2597 [5] Liang Q, Yan C, Meng Y, Lai J, Krasnicki S, Mao H and Hemley R J 2009 J. Phys.: Condens. Matter 21 364215 [6] Stachel T and Harris J W 2009 J. Phys.: Condens. Matter 21 364206 [7] McNeill J, Pearson D G, Klein-BenDavid O, Nowell G M, Ottley C J and Chinn I 2009 J. Phys.: Condens. Matter 21 364207 [8] Martineau P M, Gaukroger M P, Guy K B, Lawson S C, Twitchen D J, Friel I, Hansen J O, Summerton G C, Addison T P G and Burns R 2009 J. Phys.: Condens. Matter 21 364205 [9] Burns R C et al 2009 J. Phys.: Condens. Matter 21 364224 [10] Pinto H and Jones R 2009 J. Phys.: Condens. Matter 21 364220 [11] May P W, Allan N L, Ashfold M N R, Richley J C and Mankelevich Yu A 2009 J. Phys.: Condens. Matter 21 364203 [12] Butler J E, Mankelevich Yu A, Cheesman A, Ma J and Ashfold N R 2009 J. Phys.: Condens. Matter 21 364201 [13] Silva F, Hassouni K, Bonnin X and Gicquel A 2009 J. Phys.: Condens. Matter 21 364202 [14] Haenen K, Lazea A, Barjon J, D'Haen J, Habka N, Teraji T, Koizumi S and Mortet V 2009 J. Phys.: Condens. Matter 21 364204 [15] Felton S, Cann B L, Edmonds A M, Liggins S, Cruddace R J, Newton M E, Fisher D and Baker J M 2009 J. Phys.: Condens. Matter 21 364212 [16] Etmimi K M, Goss J P, Briddon P R and Gseia E M 2009 J. Phys.: Condens. Matter 21 364211 [17] Moore M 2009 J. Phys.: Condens. Matter 21 364217 [18] Maki J M, Tuomisto F, Kelly C J, Fisher D and Martineau P M 2009 J. Phys.: Condens. Matter 21 364216 [19] Schwitters M, Martin D S, Unsworth P, Farrell T, Butler J E and Weightman P 2009 J. Phys.: Condens. Matter 21 364218 [20] Liaugaudas G, Collins A T, Suhling K, Davies G and Heintzmann R 2009 J. Phys.: Condens. Matter 21 364210 [21] Collins A T and Kiflawi I 2009 J. Phys.: Condens. Matter 21 364209 [22] Steeds J W, Sullivan W, Wotherspoon A and Hayes J M 2009 J. Phys.: Condens. Matter 21 364219 [23] Fisher D, Sibley S J and Kelly C J 2009 J. Phys.: Condens. Matter 21 364213 [24] Bangert U, Barnes R, Gass M H, Bleloch A L, and Godfrey I S 2009 J. Phys.: Condens. Matter 21 364208 [25] Khan R U A, Martineau P M, Cann B L, Newton M E and Twitchen D J 2009 J. Phys.: Condens. Matter 21 364214 [26] Stoneham A M, Harker A H and Morley G W 2009 J. Phys.: Condens. Matter 21 364222 [27] Evans D A, Roberts O R, Williams G T, Vearey-Roberts A R, Bain F, Evans S, Langstaff D and Twitchen D J 2009 J. Phys.: Condens. Matter 21 364223 [28] Stoneham A M 2004 Nat. Mater. 3 3 [29] Berman R (ed) 1965 Physical Properties of Diamond (Oxford: Clarendon) [30] Field J E (ed) 1979 The Properties of Diamond (London: Academic) [31] Field J E (ed) 1992 The Properties of Natural and Synthetic Diamond (London: Academic) [32] Sussmann R S (ed) 2009 CVD Diamond for Electronic Devices and Sensors (Wiley Series in Materials for Electronic and Optoelectronic Applications) (New York: Wiley)

FTIR spectroscopy and thermodynamics of hydrogen adsorbed in a cross-linked polymer.

PubMed

Spoto, Giuseppe; Vitillo, Jenny G; Cocina, Donato; Damin, Alessandro; Bonino, Francesca; Zecchina, Adriano

2007-09-28

The adsorption of H(2) in a cross-linked poly(styrene-co-divinylbenzene) (St-DVB) microporous polymer (BET surface area 920 m(2) g(-1)) is studied by volumetric and gravimetric methods, FTIR spectroscopy at variable temperature (300-14 K) and ab initio calculations. At 77 K the polymer reversibly stores up to 1.3 mass% H(2) at a pressure of 1 bar and 1.8 mass% at 10 bar. The adsorption process involves the specific interaction of H(2) with the structural phenyl rings through weak dispersive forces. The interacting molecules become IR active and give rise to vibrational and rotational-vibrational manifestations which are affected by the temperature, the contact time and the H(2) equilibrium pressure. The spectra of the H(2)/St-DVB system reported here represent the first IR evidence of the adsorption of hydrogen on unsaturated molecules. The adsorption enthalpy is evaluated by the VTIR (variable temperature IR spectroscopy) method (C. Otero Areán et al., Phys. Chem. Chem. Phys., 2007, DOI: 10.1039/b615535a) and compared with the results of ab initio calculations for the H(2)/benzene interaction and with literature data.

More insight into critical wetting in polymer blends

NASA Astrophysics Data System (ADS)

Jerry, Rocco A.; Nauman, E. Bruce

1992-11-01

We have shown that a free energy expression that contains a derivative-dependent boundary penalty term, as introduced by Cohen and Muthukumar [J. Chem. Phys. 90, 5749 (1989)], will extend the region of parameter space over which critical wetting should occur.

Tailored Organometallic Polymers

DTIC Science & Technology

1993-01-31

2-4). These synthetic pathways provide access to a wide variety of new silicon compounds for use as reagents in organic syntheses and the electronics...34Si0 2 as a Source of Si Containing Compounds / Polymers", D.J. Ray, R.M. Laine, C. Viney and T.R. Robinson, ACS Polymer Preprints (1991) 32(3), 550...3) as precursors to orgar.osilicon compounds .[10-12] Pentacoordinate silicates are easily prepa’ed frotv tetrasubstituted Si centers containing

Interfacial growth as a model of tube-width heterogeneities in concentrated solutions of stiff polymers

NASA Astrophysics Data System (ADS)

Sharma, Rati; Cherayil, Binny J.

2013-06-01

Recent experimental measurements of the distribution P(w) of transverse chain fluctuations w in concentrated solutions of F-actin filaments [B. Wang, J Guan, S. M. Anthony, S. C. Bae, K. S. Schweizer, and S. Granick, Phys. Rev. Lett. 104, 118301 (2010), 10.1103/PhysRevLett.104.118301; J. Glaser, D. Chakraborty, K. Kroy, I. Lauter, M. Degawa, N. Kirchgessner, B. Hoffmann, R. Merkel, and M. Giesen, Phys. Rev. Lett. 105, 037801 (2010)], 10.1103/PhysRevLett.105.037801 are shown to be well-fit to an expression derived from a model of the conformations of a single harmonically confined weakly bendable rod. The calculation of P(w) is carried out essentially exactly within a path integral approach that was originally applied to the study of one-dimensional randomly growing interfaces. Our results are generally as successful in reproducing experimental trends as earlier approximate results obtained from more elaborate many-chain treatments of the confining tube potential.

Polymer supported gold nanoparticles: Synthesis and characterization of functionalized polystyrene-supported gold nanoparticles and their application in catalytic oxidation of alcohols in water

NASA Astrophysics Data System (ADS)

Kaboudin, Babak; Khanmohammadi, Hamid; Kazemi, Foad

2017-12-01

Sulfonated polystyrene microsphere were functionalized using ethylene diamine to introduce amine groups to the polymer chains. The amine functionalized polymers were used as a support for gold nanoparticles. A thorough structural characterization has been carried out by means of transmission electron microscopy (TEM), scanning electron microscopy (SEM) images, EDS, CHN and atomic absorption spectroscopy. The polymer supported gold nanoparticles was found to be an efficient catalyst for the oxidation of alcohols in water.

Interference Lithography for Optical Devices and Coatings

DTIC Science & Technology

2010-01-01

semiconductor quantum dots. J. Chem. Phys. 2004, 121, 7421. 100. Jeon, S.; Braun, P. V., Hydrothermal Synthesis of Er-Doped Luminescent TiO2 Nanoparticles ...Silica Nanoparticle Synthesis .....................................................................23 2.2.2 Polymer Matrix Formulation...41 CHAPTER 3: NANOPARTICLE SYNTHESIS , FUNCTIONALIZATION, AND INCORPORATION INTO

Poly (acrylonitrile - co -1-vinylimidazole): A New Melt Processable Carbon Fiber Precursor

DTIC Science & Technology

2011-01-01

changed fromwhite to brown and then black during stabilization as expected. The stabi- lized black copolymers were insoluble in DMF, showing good...Paliwal DK, Bajaj P. J Appl Polym Sci 1996;59:1819. [9] Bhanu VA, Rangarajan P, Wiles K, Bortner M, Sankarpandian M, Godshall D, et al. Polymer 2002;43:4841...AA. Carbon 2005;43:1065e72. [23] Bajaj P, Roopanwal AK. J Macromol Sci Rev Macromol Chem Phys 1997;C37:97. [24] Mukundan T, Bhanu VA, Wiles KB, Johnson

Variation of concentration of tetrakis and hydroquinone with post-irradiation times in PAGAT polymer gel dosimeter

NASA Astrophysics Data System (ADS)

Venning, Anthony J.; Hill, Brendan; Baldock, Clive

2006-12-01

Following on from the investigation of the normoxic PAGAT polymer gel dosimeter by Venning A J, Hill B, Brindha S, Healy B J and Baldock C 2005 Phys. Med. Biol. 50 3875-3888 this paper examines the change in transverse relaxation rate R2 with time for different concentrations of tetrakis (hydroxymethyl) phosphonium chloride and hydroquinone for fixed concentrations of N,N-methylene-bis-acrylamide, acrylamide, gelatine and H2M/O.

Location of the adsorption transition for lattice polymers

NASA Astrophysics Data System (ADS)

Madras, Neal

2017-02-01

We consider various lattice models of polymers: lattice trees, lattice animals, and self-avoiding walks. The polymer interacts with a surface (hyperplane), receiving an energy reward of β for each site in the surface. It is known that there is an adsorption transition at a critical value of β. We present a new proof of the result of Hammersley et al (1982 J. Phys. A: Math. Gen. 15 539-71) that the transition occurs at a strictly positive value of β when the surface is impenetrable, i.e. when the polymer is restricted to a half-space. In contrast, for a penetrable surface, it is an open problem to prove that the transition occurs at β =0 . We reduce this problem to proving that the fraction of N-site polymers whose span is less than N/{{log}2}N is not too small.

How Many Parameters Actually Affect the Mobility of Conjugated Polymers?

NASA Astrophysics Data System (ADS)

Fornari, Rocco P.; Blom, Paul W. M.; Troisi, Alessandro

2017-02-01

We describe charge transport along a polymer chain with a generic theoretical model depending in principle on tens of parameters, reflecting the chemistry of the material. The charge carrier states are obtained from a model Hamiltonian that incorporates different types of disorder and electronic structure (e.g., the difference between homo- and copolymer). The hopping rate between these states is described with a general rate expression, which contains the rates most used in the literature as special cases. We demonstrate that the steady state charge mobility in the limit of low charge density and low field ultimately depends on only two parameters: an effective structural disorder and an effective electron-phonon coupling, weighted by the size of the monomer. The results support the experimental observation [N. I. Craciun, J. Wildeman, and P. W. M. Blom, Phys. Rev. Lett. 100, 056601 (2008), 10.1103/PhysRevLett.100.056601] that the mobility in a broad range of (polymeric) semiconductors follows a universal behavior, insensitive to the chemical detail.

Theoretical study of solvent effects on the coil-globule transition

NASA Astrophysics Data System (ADS)

Polson, James M.; Opps, Sheldon B.; Abou Risk, Nicholas

2009-06-01

The coil-globule transition of a polymer in a solvent has been studied using Monte Carlo simulations of a single chain subject to intramolecular interactions as well as a solvent-mediated effective potential. This solvation potential was calculated using several different theoretical approaches for two simple polymer/solvent models, each employing hard-sphere chains and hard-sphere solvent particles as well as attractive square-well potentials between some interaction sites. For each model, collapse is driven by variation in a parameter which changes the energy mismatch between monomers and solvent particles. The solvation potentials were calculated using two fundamentally different methodologies, each designed to predict the conformational behavior of polymers in solution: (1) the polymer reference interaction site model (PRISM) theory and (2) a many-body solvation potential (MBSP) based on scaled particle theory introduced by Grayce [J. Chem. Phys. 106, 5171 (1997)]. For the PRISM calculations, two well-studied solvation monomer-monomer pair potentials were employed, each distinguished by the closure relation used in its derivation: (i) a hypernetted-chain (HNC)-type potential and (ii) a Percus-Yevick (PY)-type potential. The theoretical predictions were each compared to results obtained from explicit-solvent discontinuous molecular dynamics simulations on the same polymer/solvent model systems [J. Chem. Phys. 125, 194904 (2006)]. In each case, the variation in the coil-globule transition properties with solvent density is mostly qualitatively correct, though the quantitative agreement between the theory and prediction is typically poor. The HNC-type potential yields results that are more qualitatively consistent with simulation. The conformational behavior of the polymer upon collapse predicted by the MBSP approach is quantitatively correct for low and moderate solvent densities but is increasingly less accurate for higher densities. At high solvent densities, the PRISM-HNC and MBSP approaches tend to overestimate, while the PRISM-PY approach underestimates the tendency of the solvent to drive polymer collapse.

Role of charge separation mechanism and local disorder at hybrid solar cell interfaces

NASA Astrophysics Data System (ADS)

Ehrenreich, Philipp; Pfadler, Thomas; Paquin, Francis; Dion-Bertrand, Laura-Isabelle; Paré-Labrosse, Olivier; Silva, Carlos; Weickert, Jonas; Schmidt-Mende, Lukas

2015-01-01

Dye-sensitized metal oxide polymer hybrid solar cells deliver a promising basis in organic solar cell development due to many conceptual advantages. Since the power conversion efficiency is still in a noncompetitive state, it has to be understood how the photocurrent contribution can be maximized (i.e., which dye-polymer properties are most beneficial for efficient charge generation in hybrid solar cells). By the comparison of three model systems for hybrid solar cells with Ti O2 -dye-polymer interfaces, this paper was aimed at elucidating the role of the exact mechanism of charge generation. In the exciton dissociation (ED) case, an exciton that is generated in the polymer is split at the dye-polymer interface. Alternatively, this exciton can be transferred to the dye via an energy transfer (ET), upon which charge separation occurs between dye and Ti O2 . For comparison, the third case is included in which the high lowest unoccupied molecular orbital of the dye does not allow exciton separation or ET from the dye to the polymer, so that the dye only is responsible for charge generation. To separate effects owing to differences in energy levels of the involved materials from the impact of local order and disorder in the polymer close to the interface, this paper further comprises a detailed analysis of the polymer crystallinity based on the H-aggregate model. While the massive impact of the poly(3-hexylthiophene) crystallinity on device function has been outlined for bare metal oxide-polymer interfaces, it has not been considered for hybrid solar cells with dye-sensitized Ti O2 . The results presented here indicate that all dye molecules in general influence the polymer morphology, which has to be taken into account for future optimization of hybrid solar cells. Apart from that, it can be suggested that ED on the polymer needs an additional driving force to work efficiently; thus, energy transfer seems to be currently the most promising strategy to increase the polymer photocurrent contribution.

Investigation of Schottky Barrier on GaAs and InP Using a Multi-Disciplined Approach

DTIC Science & Technology

1990-10-29

Appl. Phys. 51 6140 (1982); E. R. Weber and J. Schneider, Physica B J.L, 398 (1983). 7. N. Newman, K. K. Chin , W. G. Petro, T. Kendelewicz, M. D...ASI Series, Series B, Physics 125. ed. I. B. Batra, Plenum Press, NY and London, 1989, p. 91 30. W. E. Spicer, P. W. Chye , P. R. Skeath, C. Y. Su and

Inverse Faraday Effect in Hemoglobin Detected by Raman Spectroscopy: An Example of Magnetic Resonance Raman Activity.

DTIC Science & Technology

1985-06-03

d.E - m.H + and is a truncated form of Equ. (9) intepreted according to the diagrammatic perturbation theory approach of Wallace [51]; n is the...A.L., 1972, 3. Chem. Phys. 56, 4073. 87. Gouterman, M., 1973, Ann. N.Y. Acad. Sci. 206, 70. -27- NADC-85074-60 This Page Intentionally Left Blank -28 - FILM -ED 11-85 DTIC

Equilibrium polymerization of cyclic carbonate oligomers. III. Chain branching and the gel transition

NASA Astrophysics Data System (ADS)

Ballone, P.; Jones, R. O.

2002-10-01

Ring-opening polymerization of cyclic polycarbonate oligomers, where monofunctional active sites act on difunctional monomers to produce an equilibrium distribution of rings and chains, leads to a "living polymer." Monte Carlo simulations [two-dimensional (2D) and three-dimensional (3D)] of the effects of single [J. Chem. Phys. 115, 3895 (2001)] and multiple active sites [J. Chem. Phys. 116, 7724 (2002)] are extended here to trifunctional active sites that lead to branching. Low concentrations of trifunctional particles c3 reduce the degree of polymerization significantly in 2D, and higher concentrations (up to 32%) lead to further large changes in the phase diagram. Gel formation is observed at high total density and sizable c3 as a continuous transition similar to percolation. Polymer and gel are much more stable in 3D than in 2D, and both the total density and the value of c3 required to produce high molecular weight aggregates are reduced significantly. The degree of polymerization in high-density 3D systems is increased by the addition of trifunctional monomers and reduced slightly at low densities and low c3. The presence of branching makes equilibrium states more sensitive (in 2D and 3D) to changes in temperature T. The stabilities of polymer and gel are enhanced by increasing T, and—for sufficiently high values of c3—there is a reversible polymer-gel transformation at a density-dependent floor temperature.

Electrostatic-Dipole (ED) Fusion Confinement Studies

NASA Astrophysics Data System (ADS)

Miley, George H.; Shrestha, Prajakti J.; Yang, Yang; Thomas, Robert

2004-11-01

The Electrostatic-Dipole (ED) concept significantly differs from a "pure" dipole confinement device [1] in that the charged particles are preferentially confined to the high-pressure region interior of the dipole coil by the assistance of a surrounding spherical electrostatic grid. In present ED experiments, a current carrying coil is embedded inside the grid of an IEC such as to produce a magnetic dipole field. Charged particles are injected axisymmetrically from an ion gun (or duo-plasmatron) into the center of the ED confinement grid/dipole ring where they oscillate along the magnetic field lines and pass the peak field region at the center of the dipole region. As particles begin accelerating away from the center region towards the outer electrostatic grid region, they encounter a strong electrostatic potential (order of 10's of kilovolts) retarding force. The particles then decelerate, reverse direction and re-enter the dipole field region where again magnetic confinement dominates. This process continues, emulating a complex harmonic oscillator motion. The resulting pressure profile averaged over the field curvature offers good plasma stability in the ED configuration. The basic concept and results from preliminary experiments will be described. [1] M.E. Mauel, et al. "Dipole Equilibrium and Stability," 18th IAEA Conference of Plasma Phys. and Control. Nuclear Fusion, Varenna, Italy 2000, IAEA-F1-CN-70/TH

Exact density functional theory for ideal polymer fluids with nearest neighbor bonding constraints.

PubMed

Woodward, Clifford E; Forsman, Jan

2008-08-07

We present a new density functional theory of ideal polymer fluids, assuming nearest-neighbor bonding constraints. The free energy functional is expressed in terms of end site densities of chain segments and thus has a simpler mathematical structure than previously used expressions using multipoint distributions. This work is based on a formalism proposed by Tripathi and Chapman [Phys. Rev. Lett. 94, 087801 (2005)]. Those authors obtain an approximate free energy functional for ideal polymers in terms of monomer site densities. Calculations on both repulsive and attractive surfaces show that their theory is reasonably accurate in some cases, but does differ significantly from the exact result for longer polymers with attractive surfaces. We suggest that segment end site densities, rather than monomer site densities, are the preferred choice of "site functions" for expressing the free energy functional of polymer fluids. We illustrate the application of our theory to derive an expression for the free energy of an ideal fluid of infinitely long polymers.

Analysis and Evaluation of Technical Data on the Photochromic and Non- Linear Optical Properties of Materials

DTIC Science & Technology

1989-03-01

relatively small contractural effort is to provide technical assistance to Dr. Frank Patten (DARPA) in evaluating data on materials, especially... Musikant , S. (ed.), Advances in Materials for Active Optics, Proceedings of SPIE, Volume 567, SPIE:Washington, 1985. [22] Lewis, Aaron, Del Priore...polysilane," J. Appl. Phys. 60 (1986) 3040-3044. [146] Hache, F., Ricard, D., Flytzanis, C., "Optical nonlinearities of small metal particles: surface

Tunable Oscillations in Optically Injected Semiconductor Lasers With Reduced Sensitivity to Perturbations - Postprint

DTIC Science & Technology

2014-09-01

Squeezed light from injection- locked quantum well lasers ,” Phys. Rev. Lett., vol. 71, pp. 3951–3954, 1993. [30] A. E. Siegman , Lasers , 1st ed...AFRL-RY-WP-TP-2014-0297 TUNABLE OSCILLATIONS IN OPTICALLY INJECTED SEMICONDUCTOR LASERS WITH REDUCED SENSITIVITY TO PERTURBATIONS -POSTPRINT...OSCILLATIONS IN OPTICALLY INJECTED SEMICONDUCTOR LASERS WITH REDUCED SENSITIVITY TO PERTURBATIONS - POSTPRINT 5a. CONTRACT NUMBER In-House 5b. GRANT NUMBER

Experimental Entanglement of Four Particles

DTIC Science & Technology

2016-09-22

operation25, and we are certainly far from this regime. However, even if such a level of fidelity were to be achieved, applications such as quantum comput ...Popescu, S. & Spiller, T. (eds) Introduction to Quantum Computation and Information (World Scientific, Singapore, 1997). 4. Pan, J.-W., Bouwmeester, D...Hagley, E. et al. Generation of Einstein-Podolsky-Rosen pairs of atoms. Phys. Rev. Lett. 79; 1–5 (1997). 11. Cirac, J. & Zoller, P. Quantum computations

Surface degradation of polymer insulators under accelerated climatic aging in weather-ometer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu, G.; McGrath, P.B.; Burns, C.W.

1996-12-31

Climatic aging experiments were conducted on two types of outdoor polymer insulators by using a programmable weather-ometer. The housing materials for the insulators were silicone rubber (SR) and ethylene propylene diene monomer (EPDM). The accelerated aging stresses were comprised of ultraviolet radiation, elevated temperature, temperature cycling, thermal shock and high humidity. Their effects on the insulator surface conditions and electrical performance wee examined through visual inspection and SEM studies, contact angle measurements, thermogravimetric analysis (TGA), energy dispersive spectroscopy (EDS) analysis, and 50% impulse flashover voltage tests. The results showed a significant damage on the insulator surface caused by some ofmore » the imposed aging stresses. The EDS analysis suggested a photooxidation process that happened on the insulator surface during the aging period.« less

Photophysics of single-walled carbon nanotubes: similarity with π-conjugated polymer

NASA Astrophysics Data System (ADS)

Zhao, Hongbo

2006-03-01

Coulomb electron-electron (e-e) interactions among the π-electrons have a strong effect on the energy spectra of semiconducting single-walled carbon nanotubes (S-SWCNTs), because of their quasi-one-dimensionality. The primary photoexcitations in S-SWCNTs as a consequence of e-e interactions are excitons, as opposed to free electrons and holes. There already exists a vast literature on excitons in π-conjugated polymers, the other class of carbon-based quasi-one-dimensional semiconductors. In order to seek guidance from this knowledge base, we have performed theoretical calculations of the excited state electronic structures, linear absorptions and excited state absorptions for ten different S-SWCNTs with a wide range in diameters, within the same correlated π-electron model that has previously been applied to π-conjugated polymers. We found remarkable similarities in the excitonic energy spectra and nonlinear optical properties of S-SWCNTs on the one hand, and π-conjugated polymers on the other. The ``essential states'' model of third-order optical nonlinearity, previously developed for π-conjugated polymers, applies also to S-SWCNTs (with minor modifications for chiral S-SWCNTs which lack center of inversion). Our theory is able to explain semiquantitatively the results of nonlinear spectroscopic measurements on both S-SWCNTs and π-conjugated polymers. For wide S-SWCNTs with diameters ranging from 0.8--1.0 nm, we calculate exciton binding energies of 0.3--0.4 eV, in strong agreement with the values predicted from the experiments. We also remark on the occurrence of dark excitons below the optical excitons in the S-SWCNTs, and the consequence thereof on the photoluminescence of these materials. H. Zhao, et al., cond-mat/0506097; J. W. Kennedy, et al., cond-mat/0505071. S. N. Dixit, D. Guo, and S. Mazumdar, Phys. Rev. B 43, R6781 (1991) H. Zhao and S. Mazumdar, Phys. Rev. Lett. 93, 157402 (2004).

Functionalization and characterization of pyrolyzed polymer based carbon microstructures for bionanoelectronics platforms

NASA Astrophysics Data System (ADS)

Hirabayashi, Mieko; Mehta, Beejal; Vahidi, Nasim W.; Khosla, Ajit; Kassegne, Sam

2013-11-01

In this study, the investigation of surface-treatment of chemically inert graphitic carbon microelectrodes (derived from pyrolyzed photoresist polymer) for improving their attachment chemistry with DNA molecular wires and ropes as part of a bionanoelectronics platform is reported. Polymer microelectrodes were fabricated on a silicon wafer using standard negative lithography procedures with negative-tone photoresist. These microelectrode structures were then pyrolyzed and converted to a form of conductive carbon that is referred to as PP (pyrolyzed polymer) carbon throughout this paper. Functionalization of the resulting pyrolyzed structures was done using nitric, sulfuric, 4-amino benzoic acids (4-ABA), and oxygen plasma etching and the surface modifications confirmed with Fourier transform infrared spectroscopy (FTIR), Raman spectroscopy, and electron dispersion x-ray spectroscopy (EDS). Post surface-treatment analysis of microelectrodes with FTIR and Raman spectroscopy showed signature peaks characteristics of carboxyl functional groups while EDS showed an increase in oxygen content in the surface-treatment procedures (except 4-ABA) indicating an increase in carboxyl functional group. These functional groups form the basis for peptide bond with aminated oligonucleotides that in turn could be used as molecular wires and interconnects in a bionanoelectronics platform. Post-pyrolysis analysis using EDS showed relatively higher oxygen concentrations at the edges and location of defects compared to other locations on these microelectrodes. In addition, electrochemical impedance measurements showed metal-like behavior of PP carbon with high conductivity (|Z| <1 KΩ) and no detectable detrimental effect of oxygen plasma surface-treatment on electrical characteristic. In general, characterization results—taken together—indicated that oxygen plasma surface-treatment produced more reliable, less damaging, and consistently repeatable generation of carboxyl functional groups than diazonium salt and strong acid treatments.

Nanofiber Enabled, Multi - Target Passive Sampling Device for Determination of the Freely Dissolved Sediment Pore Water Concentrations of Organic Contaminants

DTIC Science & Technology

2016-06-01

foil. Nanofiber diameters were adjusted between ~100-200 nm by controlling the electrospinning solution (e.g., viscosity , dielectric constant...acetate)/ Clay Nanocomposite Fibers. J Polym Sci Pol Phys 2009, 47, (24), 2501-2508. 36. Piperno, S.; Lozzi, L.; Rastelli, R.; Passacantando, M.; Santucci

Further reply to remarks of R Cross on ‘A comparative study of two types of ball-on-ball collision’

NASA Astrophysics Data System (ADS)

White, Colin

2018-03-01

In this letter, I show how a perceived approximation error in my first letter, White (2017 Phys. Ed. 53 016502) concerning my explanation of the dynamic motion of two interacting Newtons Cradle balls, proves to me insignificant. Although these second and third order errors described are shown to be minimal, they do raise the opportunity to discuss the precise and more intricate ball interactions in finer detail.

Approximation of Viscoelastic Stresses from Newtonian Turbulent Kinematics

DTIC Science & Technology

1988-09-01

birefringence of polyethylene oxide solutions in a four roll mill. J.Poly.Sci.:Poly.Phys.Ed. 14, 1111-1119. Dandridge, A., Meeten , G.H., Layec-Raphalen, M.N...flows. Poly. Comm. 25, 144-146. Metzner, A.B., & Astarita, G . 1967 External flow of viscoelastic materials: fluid property restrictions on the use of...dumbbell model for dilute solutions. Rheol.Acta 23, 151-162. Philippoff, W. 1956 Flow-birefringence and stress. Nature 178 , 811-812. Ryskin, G . 1987a

Research in Electronics - JSEP.

DTIC Science & Technology

1981-03-01

17. H . Helvajian and C. Wittig, "Collisional Quenching of HgBr(B 2 4i/2), Opt. Commun. 30, 189 (1979). 18. H . Reisler and C. Wittig, "Electronic...Luminescence Resulting from IR Multiple Photon Excitation, " in ’Photoselective Chemistry, Part I,’ J. Jortner ed., Wiley, 1981. 19. H . Helvajian , M...to Intramolecular V E coupling in IR Laser Excited Polyatomics, " J. Chem. Phys., in press. 22. H . Helvajian and C. Wittig, "Vibrational Quenching of

Nonlinear Waves in Rods

DTIC Science & Technology

1981-05-01

0 and P > 0 everywhere. This also implies from (17) that Www 1Wuu - Wu w1 > 0 so that necking instabilities have been ruled out (see Antman [12], pp... Antman , "Qualitative Theory of the Ordinary Differential Equa- tions of Nonlinear Elasticity," in Mechanics Today, V. 1, ed. S. Nemat- Nasser...the Propagation of Plastic Strain in a Cylindrical Rod," J. Mech. Phys. Sol., 13, 1965, pp. 55-68. 7. S. S. Antman , The Theory of Rods, Handbuch der

Fundamental Noise Limits in Miniature Acoustic and Vibration Sensors

DTIC Science & Technology

1991-12-31

1982) 86 WV " NADC-91113-50 [121 Anderson, Herbert L.. (ed.), A Physicist’s Desk Rcference, AIP, NY (1989) [13] Sears, Francis W. and Gerhard L...Dover, NY (1956) [16] Callen, Herbert B. and Theodore A. Welton, "Irreversibility and generalized noise," Phys. Rev. 83(1), 34-40 (1951) [17] Kittel...34] Misner, Charles W., Kip S. Thorne, and John Archibald Wheeler, Gravitation, W. H. Freeman, NY (1973) 88 NMADC-91113-50 [35] Marcuse , Dietrich

Scanning Tunneling Microscopy, Atomic Force Microscopy, and Related Techniques

DTIC Science & Technology

1992-02-26

92. (B47) Fujui, T.; Suzuki, MA.; Miyashita, MA.; Yamaguchi, M.; Onuki , T.; Nakamura, H .; Matsubara, T.; Yamada, H .; Nakayamia, K. J. Vac. Sd...and seven deflection detection systems (A 15). (Al) Binnig, G.; Rohrer, H .; Gerber, Ch.; Weibel, E. Phys. Rev. Lett. 1982, 49, 57. (A2) Ray, M.A...J. J. Vac Sci. Technol. A 1ඣ, 9, 44-50. (AS) Scanning Tunneling Microscopy and Related Methods; Behm, RJ., Garcia, N., Rohrer, H ., Eds.; NATO ASI

Reactions of Hydrogen Chloride and Boron Trichloride with Trimethylsilylamino Groups

DTIC Science & Technology

1989-04-04

SUPPLEMENTARY NOTATION 17, COSATI CODES 18. SUBJECT TERMS (Continue on reverse if necessary and kientify by block number) FIELD ,,GROUP SU8 -GROUP...nitride preceramic polymers . Due to the low yield multistage synthesis, alternate routes to isomeric compositions and intermediates needed to be...Organo- metallic Polymers , Zeldin, M., Wynne, K. J., Allcock, H. R.; Ed, ACS Symposium Series 360. (4) Ebsworth, E.A.V. Volatile Silicon Compounds

Formation of methotrexate-PLLA-PEG-PLLA composite microspheres by microencapsulation through a process of suspension-enhanced dispersion by supercritical CO2

PubMed Central

Chen, Ai-Zheng; Wang, Guang-Ya; Wang, Shi-Bin; Li, Li; Liu, Yuan-Gang; Zhao, Chen

2012-01-01

Background The aim of this study was to improve the drug loading, encapsulation efficiency, and sustained-release properties of supercritical CO2-based drug-loaded polymer carriers via a process of suspension-enhanced dispersion by supercritical CO2 (SpEDS), which is an advanced version of solution-enhanced dispersion by supercritical CO2 (SEDS). Methods Methotrexate nanoparticles were successfully microencapsulated into poly (L-lactide)-poly(ethylene glycol)-poly(L-lactide) (PLLA-PEG-PLLA) by SpEDS. Methotrexate nanoparticles were first prepared by SEDS, then suspended in PLLA-PEG-PLLA solution, and finally microencapsulated into PLLA-PEG-PLLA via SpEDS, where an “injector” was utilized in the suspension delivery system. Results After microencapsulation, the composite methotrexate (MTX)-PLLA-PEG-PLLA microspheres obtained had a mean particle size of 545 nm, drug loading of 13.7%, and an encapsulation efficiency of 39.2%. After an initial burst release, with around 65% of the total methotrexate being released in the first 3 hours, the MTX-PLLA-PEG-PLLA microspheres released methotrexate in a sustained manner, with 85% of the total methotrexate dose released within 23 hours and nearly 100% within 144 hours. Conclusion Compared with a parallel study of the coprecipitation process, microencapsulation using SpEDS offered greater potential to manufacture drug-loaded polymer microspheres for a drug delivery system. PMID:22787397

Design Considerations for Monolithic Beam Formers Based on Electro-Optic Polymer Phase Modulators and Strain-Induced Optical Waveguides - Postprint

DTIC Science & Technology

2015-01-01

integrated circuit,” AFRL/SNDP Rome, NY (MIPR#F1ATA06317G002) (2007). [2] S-K. Kim, W. Yun, K. Geary, Y.-C. Hung, and H. R. Fetterman , “Electro-optic...Garner, H. Zhang, V. Chuyanov, L. R. Dalton, F. Wang, A. S. Ren, A. Zhang, G. Todorova, A. Harper, H. R. Fetterman , D. Chen, A. Upupa, D. Bhattacharya... Fetterman , “Push-pull electro-optic polymer modulators with half-wave voltage and low loss at both 1310 and 1550 nm,” Appl. Phys. Lett., 78, 3136-3138

Effect of electron beam irradiation on thermal and mechanical properties of epoxy polymer

NASA Astrophysics Data System (ADS)

Nguyen, A. T.; Visakh, P. M.; Nazarenko, O. B.; Chandran, C. S.; Melnikova, T. V.

2017-01-01

This study investigates the thermal and mechanical properties of epoxy polymer after exposure to different doses of electron beam irradiation. The epoxy polymer was prepared using epoxy-diane resin ED-20 cured by polyethylenepolyamine. The irradiation of the samples was carried out with doses of 30, 100 and 300 kGy. The effects of doses on thermal and mechanical properties of the epoxy polymer were investigated by the methods of thermal gravimetric analysis, tensile test, and dynamic mechanical analysis. The thermal properties of the epoxy polymer slightly increased after irradiation at the heating in air. The tensile strength and Young’s modulus of the epoxy polymer increased by the action of electron beam up to dose of 100 kGy and then decreased. The elongation at break decreased with increasing the irradiation dose.

Phase equilibria in polymer-blend thin films

NASA Astrophysics Data System (ADS)

Clarke, Nigel; Souche, Mireille

2010-03-01

To describe equilibrium concentration profiles in thin films of polymer mixtures, we propose a Hamiltonian formulation of the Flory-Huggins-de Gennes theory describing a polymer blend thin film. We first focus on the case of 50:50 polymer blends confined between anti-symmetric walls. The different phases of the system and the transitions between them, including finite size effects, are systematically studied through their relation with the geometry of the Hamiltonian flow in phase space. This method provides an easy and efficient way, with strong graphical insight, to infer the qualitative physical behavior of polymer blend thin films. The addition of a further degree of freedom in the system, namely a solvent, may result in a chaotic behavior of the system, characterized by the existence of solutions with exponential sensitivity to initial conditions. Such solutions and there subsequent contribution to the out-of-equilibrium dynamics of the system are well described in Hamiltonian formalism. A fully consistent treatment of the Flory-Huggins-de Gennes theory of thin film polymer blend solutions, in the spirit of the Hamiltonian approach will be presented. 1. M. Souche and N. Clarke, J. Chem. Phys., submitted.

Role of codeposited impurities during growth. I. Explaining distinctive experimental morphology on Cu(0 0 1)

NASA Astrophysics Data System (ADS)

Hamouda, Ajmi Bh.; Sathiyanarayanan, Rajesh; Pimpinelli, Alberto; Einstein, T. L.

2011-01-01

A unified explanation of the physics underlying all the distinctive features of the growth instabilities observed on Cu vicinals has long eluded theorists. Recently, kinetic Monte Carlo studies showed that codeposition of impurities during growth could account for the key distinctive experimental observations [Hamouda , Phys. Rev. BPLRBAQ0556-280510.1103/PhysRevB.77.245430 77, 245430 (2008)]. To identify the responsible impurity atom, we compute the nearest-neighbor binding energies (ENN) and terrace diffusion barriers (Ed) for several candidate impurity atoms on Cu(0 0 1) using DFT-based VASP. Our calculations show that codeposition (with Cu) of midtransition elements, such as Fe, Mn, and W, could—in conjunction with substantial Ehrlich-Schwoebel barriers—cause the observed instabilities; when the experimental setup is considered, W emerges to be the most likely candidate. We discuss the role of impurities in nanostructuring of surfaces.

Method of Moments Analysis of Scattering by Chiral Media

DTIC Science & Technology

1991-07-01

Application to Chiral Polymer Design," J. Appl. Phys., vol. 63, pp. 280-284, Jan. 1988. [98] T. Guire, M. Umari , V. V. Varadan, and V. K. Varadan...34Microwave Mea- surements on Chiral Composites," June 1988 URSI Radio Science Meeting, Syracuse, NY. [99] M. H. Umari , V. V. Varadan, and V. K. Varadan

Network Dynamics: Modeling And Generation Of Very Large Heterogeneous Social Networks

DTIC Science & Technology

2015-11-23

P11035 (2014). [19] P. L. Krapivsky and S. Redner, Phys. Rev. E. 71, 036118 (2005). [20] M. O. Jackson and B. W. Rogers, Amer. Econ . Rev. 97, 890...P06004 (2010). [24] M. E. J. Newman, Networks: An Introduction (Oxford Univ. Press, Oxford, 2010). [25] P. J. Flory, Principles of Polymer Chemistry

Hierarchical Structure in Polymeric Solids and Its Influence on Properties

DTIC Science & Technology

1989-05-01

consequences for the systematic design of phase behaviour. Also it is one of the several illustrations that the ’rigid’ group in itself need not...identified the factors controlling mesogen (or in general, rigid group ) packing in segmented LCP forming polymers and its influence on layer formation at...molecules in solution and controlled preparation of model systems" in Rigid Rod Polymers, Materials Research Publication, Ed. W. Adams, in the press

Cryogenic Optical Refrigeration

DTIC Science & Technology

2012-03-22

Applications of Laser Cooling of Solids, 1st ed. (Wiley-VCH, 2009). 12. M. Sheik- Bahae and R. I . Epstein, “Optical refrigeration,” Nat. Photonics 1(12), 693–699...2007). Advances in Optics and Photonics 4, 78–107 (2012) doi:10.1364/AOP.4.000078 99 13. M. Sheik- Bahae and R. I . Epstein, “Laser cooling of solids...Sheik- Bahae and R. I . Epstein, “Can laser light cool semiconductors,” Phys. Rev. Lett. 92(24), 247403 (2004). 18. P. Asbeck, “Self-absorption effects

Structure of Multiply Ionized Heavy Ions and Associated Collision Phenomena.

DTIC Science & Technology

1978-10-01

Charge-State Dependence in K-Shell Ionization of Neon, Silicon , and Argon Gases by Lithium Proj ectiles ,” Physics Lett. 60A, 292 (1977). • “Charge...Projectile Charge-State Dependence in K-shell Ionization of Neon, Silicon , and Argon Gases by Lithium Projectiles,” Bull.Am. Phys. Soc. 22, 655 (1977...Probabilities , I . Martinson , ed. (Lunds Univeristet , Lund) , p. 8 (1977) . “Der 252S_2p 2 P° Doublettübergan g in Li-~hnlichem Schwefel , ” Verhandi

Book of Abstracts, Logic Colloquium 󈨦, the ASL European Summer Meeting, August 9-15, 1998, Prague, Czech Republic.

DTIC Science & Technology

1998-09-23

Quarterly Monograph Series, no. 2, Blackwell, Oxford 1968. -83- LC 󈨦 Book of Abstracts APARTNESS AND GROUP THEORY IN CONSTRUCTIVE ALGEBRA Antonino ...Morelli (ed.): Atti II Conv. Storia e Didattica della -84- LC 󈨦 Book of Abstracts Antonino Drago - Dept. Phys. Sci., Univ. "Federico II", Napoli...37 Korec Ivan 133,134 Di Prisco :Carlos Augusto 62 Korovin Konstantin 70 Drago : Antonino 84, 85 Korovina Margarita 72 Drai Dalia 156 Koublanova Elena

Entropic Elastic Processes in Protein Mechanisms. Part 2. Simple (Passive) and Coupled (Active) Development of Elastic Forces,

DTIC Science & Technology

1986-01-01

al., 1985; Pethig, 1979; Zana and Tondre, 1972; Schneider, et al., 1969; Cho, et al., 1985). Interestingly an increase in ultrasonic absorption has...Health Hazards of Microwave Radiation (Czerski, P., ed.), Polish Medical Publishers, Warsaw, Poland, pp. 152-159. Senior, R. M., Griffin, G. L., Mecham...and Oosawa, F. (1985). Nature 316, 366-369. Zana , R. and Tondre, C. (1972). J. Phys. Chem. 76, 1737-1743. Figure Legends: Figure Primary structure of

Solution‐crystallization and related phenomena in 9,9‐dialkyl‐fluorene polymers. II. Influence of side‐chain structure

PubMed Central

Perevedentsev, Aleksandr; Stavrinou, Paul N.; Smith, Paul

2015-01-01

ABSTRACT Solution‐crystallization is studied for two polyfluorene polymers possessing different side‐chain structures. Thermal analysis and temperature‐dependent optical spectroscopy are used to clarify the nature of the crystallization process, while X‐ray diffraction and scanning electron microscopy reveal important differences in the resulting microstructures. It is shown that the planar‐zigzag chain conformation termed the β‐phase, which is observed for certain linear‐side‐chain polyfluorenes, is necessary for the formation of so‐called polymer‐solvent compounds for these polymers. Introduction of alternating fluorene repeat units with branched side‐chains prevents formation of the β‐phase conformation and results in non‐solvated, i.e. melt‐crystallization‐type, polymer crystals. Unlike non‐solvated polymer crystals, for which the chain conformation is stabilized by its incorporation into a crystalline lattice, the β‐phase conformation is stabilized by complexation with solvent molecules and, therefore, its formation does not require specific inter‐chain interactions. The presented results clarify the fundamental differences between the β‐phase and other conformational/crystalline forms of polyfluorenes. © 2015 The Authors. Journal of Polymer Science Part B: Polymer Physics published by Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2015, 53, 1492–1506 PMID:27546983

Turbulence and turbulent drag reduction in swirling flow: Inertial versus viscous forcing

NASA Astrophysics Data System (ADS)

Burnishev, Yuri; Steinberg, Victor

2015-08-01

We report unexpected results of a drastic difference in the transition to fully developed turbulent and turbulent drag reduction (TDR) regimes and in their properties in a von Karman swirling flow with counter-rotating disks of water-based polymer solutions for viscous (by smooth disks) as well as inertial (by bladed disks) forcing and by tracking just torque Γ (t ) and pressure p (t ) . For the viscous forcing, just a single TDR regime is found with the transition values of the Reynolds number (Re) Recturb=RecTDR≃(4.8 ±0.2 ) ×105 independent of ϕ , whereas for the inertial forcing two turbulent regimes are revealed. The first transition is to fully developed turbulence, and the second one is to the TDR regime with both Recturb and RecTDR depending on polymer concentration ϕ . Both regimes differ by the values of Cf and Cp, by the scaling exponents of the fundamental turbulent characteristics, by the nonmonotonic dependencies of skewness and flatness of the pressure PDFs on Re, and by the different frequency power spectra of p with the different dependencies of the main vortex peak frequency in the p power spectra on ϕ and Re. Thus our experimental results show the transition to the TDR regime in a von Karman swirling flow for the viscous and inertial forcings in a sharp contrast to the recent experiments [Phys. Fluids 10, 426 (1998), 10.1063/1.869532; Phys. Rev. E 47, R28(R) (1993), 10.1103/PhysRevE.47.R28; and J. Phys.: Condens. Matter 17, S1195 (2005), 10.1088/0953-8984/17/14/008] where the transition to TDR is observed in the same swirling flow with counter-rotating disks only for the viscous forcing. The latter result has led its authors to the wrong conclusion that TDR is a solely boundary effect contrary to the inertial forcing associated with the bulk effect, and this conception is currently rather widely accepted in literature.

Determination of linear viscoelastic properties of an entangled polymer melt by probe rheology simulations.

PubMed

Karim, Mir; Indei, Tsutomu; Schieber, Jay D; Khare, Rajesh

2016-01-01

Particle rheology is used to extract the linear viscoelastic properties of an entangled polymer melt from molecular dynamics simulations. The motion of a stiff, approximately spherical particle is tracked in both passive and active modes. We demonstrate that the dynamic modulus of the melt can be extracted under certain limitations using this technique. As shown before for unentangled chains [Karim et al., Phys. Rev. E 86, 051501 (2012)PLEEE81539-375510.1103/PhysRevE.86.051501], the frequency range of applicability is substantially expanded when both particle and medium inertia are properly accounted for by using our inertial version of the generalized Stokes-Einstein relation (IGSER). The system used here introduces an entanglement length d_{T}, in addition to those length scales already relevant: monomer bead size d, probe size R, polymer radius of gyration R_{g}, simulation box size L, shear wave penetration length Δ, and wave period Λ. Previously, we demonstrated a number of restrictions necessary to obtain the relevant fluid properties: continuum approximation breaks down when d≳Λ; medium inertia is important and IGSER is required when R≳Λ; and the probe should not experience hydrodynamic interaction with its periodic images, L≳Δ. These restrictions are also observed here. A simple scaling argument for entangled polymers shows that the simulation box size must scale with polymer molecular weight as M_{w}^{3}. Continuum analysis requires the existence of an added mass to the probe particle from the entrained medium but was not observed in the earlier work for unentangled chains. We confirm here that this added mass is necessary only when the thickness L_{S} of the shell around the particle that contains the added mass, L_{S}>d. We also demonstrate that the IGSER can be used to predict particle displacement over a given timescale from knowledge of medium viscoelasticity; such ability will be of interest for designing nanoparticle-based drug delivery.

Determination of linear viscoelastic properties of an entangled polymer melt by probe rheology simulations

NASA Astrophysics Data System (ADS)

Karim, Mir; Indei, Tsutomu; Schieber, Jay D.; Khare, Rajesh

2016-01-01

Particle rheology is used to extract the linear viscoelastic properties of an entangled polymer melt from molecular dynamics simulations. The motion of a stiff, approximately spherical particle is tracked in both passive and active modes. We demonstrate that the dynamic modulus of the melt can be extracted under certain limitations using this technique. As shown before for unentangled chains [Karim et al., Phys. Rev. E 86, 051501 (2012), 10.1103/PhysRevE.86.051501], the frequency range of applicability is substantially expanded when both particle and medium inertia are properly accounted for by using our inertial version of the generalized Stokes-Einstein relation (IGSER). The system used here introduces an entanglement length dT, in addition to those length scales already relevant: monomer bead size d , probe size R , polymer radius of gyration Rg, simulation box size L , shear wave penetration length Δ , and wave period Λ . Previously, we demonstrated a number of restrictions necessary to obtain the relevant fluid properties: continuum approximation breaks down when d ≳Λ ; medium inertia is important and IGSER is required when R ≳Λ ; and the probe should not experience hydrodynamic interaction with its periodic images, L ≳Δ . These restrictions are also observed here. A simple scaling argument for entangled polymers shows that the simulation box size must scale with polymer molecular weight as Mw3. Continuum analysis requires the existence of an added mass to the probe particle from the entrained medium but was not observed in the earlier work for unentangled chains. We confirm here that this added mass is necessary only when the thickness LS of the shell around the particle that contains the added mass, LS>d . We also demonstrate that the IGSER can be used to predict particle displacement over a given timescale from knowledge of medium viscoelasticity; such ability will be of interest for designing nanoparticle-based drug delivery.

Highly crystalline films of PCPDTBT with branched side chains by solvent vapor crystallization: influence on opto-electronic properties.

PubMed

Fischer, Florian S U; Trefz, Daniel; Back, Justus; Kayunkid, Navaphun; Tornow, Benjamin; Albrecht, Steve; Yager, Kevin G; Singh, Gurpreet; Karim, Alamgir; Neher, Dieter; Brinkmann, Martin; Ludwigs, Sabine

2015-02-18

PCPDTBT, a marginally crystallizable polymer, is crystallized into a new crystal structure using solvent-vapor annealing. Highly ordered areas with three different polymer-chain orientations are identified using TEM/ED, GIWAXS, and polarized Raman spectroscopy. The optical and structural properties differ significantly from films prepared by standard device preparation protocols. Bilayer solar cells, however, show similar performance. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Small‐angle X‐ray scattering as a useful supplementary technique to determine molecular masses of polyelectrolytes in solution

PubMed Central

Plazzotta, Beatrice; Diget, Jakob Stensgaard; Zhu, Kaizheng; Nyström, Bo

2016-01-01

ABSTRACT Determination of molecular masses of charged polymers is often nontrivial and most methods have their drawbacks. For polyelectrolytes, a new possibility for the determination of number‐average molecular masses is represented by small‐angle X‐ray scattering (SAXS) which allows fast determinations with a 10% accuracy. This is done by relating the mass to the position of a characteristic peak feature which arises in SAXS due to the local ordering caused by charge‐repulsions between polyelectrolytes. Advantages of the technique are the simplicity of data analysis, the independency from polymer architecture, and the low sample and time consumption. The method was tested on polyelectrolytes of various structures and chemical compositions, and the results were compared with those obtained from more conventional techniques, such as asymmetric flow field‐flow fractionation, gel permeation chromatography, and classical SAXS data analysis, showing that the accuracy of the suggested method is similar to that of the other techniques. © 2016 The Authors. Journal of Polymer Science Part B: Polymer Physics Published by Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2016, 54, 1913–1917 PMID:27840558

Spin injection into Pt-polymers with large spin-orbit coupling

NASA Astrophysics Data System (ADS)

Sun, Dali; McLaughlin, Ryan; Siegel, Gene; Tiwari, Ashutosh; Vardeny, Z. Valy

2014-03-01

Organic spintronics has entered a new era of devices that integrate organic light-emitting diodes (OLED) in organic spin valve (OSV) geometry (dubbed bipolar organic spin valve, or spin-OLED), for actively manipulating the device electroluminescence via the spin alignment of two ferromagnetic electrodes (Science 337, 204-209, 2012; Appl. Phys. Lett. 103, 042411, 2013). Organic semiconductors that contain heavy metal elements have been widely used as phosphorescent dopants in white-OLEDs. However such active materials are detrimental for OSV operation due to their large spin-orbit coupling (SOC) that may limit the spin diffusion length and thus spin-OLED based on organics with large SOC is a challenge. We report the successful fabrication of OSVs based on pi-conjugated polymers which contain intrachain Platinum atoms (dubbed Pt-polymers). Spin injection into the Pt-polymers is investigated by the giant magnetoresistance (GMR) effect as a function of bias voltage, temperature and polymer layer thickness. From the GMR bias voltage dependence we infer that the ``impendence mismatch'' between ferromagnetic electrodes and Pt-polymer may be suppressed due to the large SOC. Research sponsored by the NSF (Grant No. DMR-1104495) and NSF-MRSEC (DMR 1121252) at the University of Utah.

Mixtures of charged colloid and neutral polymer: Influence of electrostatic interactions on demixing and interfacial tension

NASA Astrophysics Data System (ADS)

Denton, Alan R.; Schmidt, Matthias

2005-06-01

The equilibrium phase behavior of a binary mixture of charged colloids and neutral, nonadsorbing polymers is studied within free-volume theory. A model mixture of charged hard-sphere macroions and ideal, coarse-grained, effective-sphere polymers is mapped first onto a binary hard-sphere mixture with nonadditive diameters and then onto an effective Asakura-Oosawa model [S. Asakura and F. Oosawa, J. Chem. Phys. 22, 1255 (1954)]. The effective model is defined by a single dimensionless parameter—the ratio of the polymer diameter to the effective colloid diameter. For high salt-to-counterion concentration ratios, a free-volume approximation for the free energy is used to compute the fluid phase diagram, which describes demixing into colloid-rich (liquid) and colloid-poor (vapor) phases. Increasing the range of electrostatic interactions shifts the demixing binodal toward higher polymer concentration, stabilizing the mixture. The enhanced stability is attributed to a weakening of polymer depletion-induced attraction between electrostatically repelling macroions. Comparison with predictions of density-functional theory reveals a corresponding increase in the liquid-vapor interfacial tension. The predicted trends in phase stability are consistent with observed behavior of protein-polysaccharide mixtures in food colloids.

Fabrication Processes to Generate Concentration Gradients in Polymer Solar Cell Active Layers.

PubMed

Inaba, Shusei; Vohra, Varun

2017-05-09

Polymer solar cells (PSCs) are considered as one of the most promising low-cost alternatives for renewable energy production with devices now reaching power conversion efficiencies (PCEs) above the milestone value of 10%. These enhanced performances were achieved by developing new electron-donor (ED) and electron-acceptor (EA) materials as well as finding the adequate morphologies in either bulk heterojunction or sequentially deposited active layers. In particular, producing adequate vertical concentration gradients with higher concentrations of ED and EA close to the anode and cathode, respectively, results in an improved charge collection and consequently higher photovoltaic parameters such as the fill factor. In this review, we relate processes to generate active layers with ED-EA vertical concentration gradients. After summarizing the formation of such concentration gradients in single layer active layers through processes such as annealing or additives, we will verify that sequential deposition of multilayered active layers can be an efficient approach to remarkably increase the fill factor and PCE of PSCs. In fact, applying this challenging approach to fabricate inverted architecture PSCs has the potential to generate low-cost, high efficiency and stable devices, which may revolutionize worldwide energy demand and/or help develop next generation devices such as semi-transparent photovoltaic windows.

Quantum Corral Wave-function Engineering

NASA Astrophysics Data System (ADS)

Correa, Alfredo; Reboredo, Fernando; Balseiro, Carlos

2005-03-01

We present a theoretical method for the design and optimization of quantum corrals[1] with specific electronic properties. Taking advantage that spins are subject to a RKKY interaction that is directly controlled by the scattering of the quantum corral, we design corral structures that reproduce spin Hamiltonians with coupling constants determined a priori[2]. We solve exactly the bi-dimensional scattering problem for each corral configuration within the s-wave approximation[3] and subsequently the geometry of the quantum corral is optimized by means of simulated annealing[4] and genetic algorithms[5]. We demonstrate the possibility of automatic design of structures with complicated target electronic properties[6]. This work was performed under the auspices of the US Department of Energy by the University of California at the LLNL under contract no W-7405-Eng-48. [1] M. F. Crommie, C. P. Lutz and D. M. Eigler, Nature 403, 512 (2000) [2] D. P. DiVincenzo et al., Nature 408, 339 (2000) [3] G. A. Fiete and E. J. Heller, Rev. Mod. Phys. 75, 933 (2003) [4] M. R. A. T. N. Metropolis et al., J. Chem. Phys. 1087 (1953) [5] E. Aarts and J. K. Lenstra, eds. Local search in combinatorial problems (Princeton University Press, 1997) [6] A. A. Correa, F. Reboredo and C. Balseiro, Phys. Rev. B (in press).

Intelligent Luminescence for Communication Display and Identification

DTIC Science & Technology

2007-07-18

34Fabrication of two-dimensional photonic crystals using interference lithography and electrodeposition of CdSe," Appl. Phys. Letts. 79, 3392-3394 (2001). 7...studies were performed on holographically derived structures fonned in SUS by a four-laser beam interference pattern. As shown in Figure 7 a SUS polymer...dielectric material, as patterned by electron-beam lithography , consisting of a periodic dielectric modulation with integrated line, point and

Uranium Oxide Gaseous Ion and Neutral Infrared Spectroscopy

DTIC Science & Technology

1983-12-31

Kallelis , and q technical advice received from Drs. Charles E. Kolb, Kurt Annen, Alan Stanton, * and Mark Zahniser of Aerodyne and G. Sargent Janes of Avco...Chem. 75, ( 1971 ) 2283. - S6. S. Abramowitz and N. Acquista, J. Phys. Chem. 76, (1972) 647. 7. H.J. Leary, Jr., T.A. Rooney, E.D. Cater, and ll.B...Friedrich, High Temp. Scd. 3, ( 1971 ) 433. 8. D.H.W. Carstens, D.M. Gruen, and J.F. Kozlowski, High Temp. Sed. 4, 436 (1972). 9. a) M.J. Krauss and W.J

Nanotwins in Nanocrystalline Mg-Al Alloys: An Insight from High-Resolution TEM and Molecular Dynamics Simulation

DTIC Science & Technology

2013-09-25

Mathaudhu, C.Y.A. Tsao and E.J. Lavernia, Mater. Sci. Eng. A528 (2011) p. 2180. [21] S . Plimpton , J. Comput. Phys. 117 (1995) p. 1. [22] X.-Y. Liu, J.B...grained Mg are identi ? ed and supported with atomistic The views, opinions and/or findings contained in this report are those of the author( s ) and should...MONITORING AGENCY NAME( S ) AND ADDRESS (ES) U.S. Army Research Office P.O. Box 12211 Research Triangle Park, NC 27709-2211 nanocrystalline Mg – Al alloys

Future Directions of Nonlinear Dynamics in Physical and Biological Systems. (Physica D Nonlinear. Volume 68, Number 1)

DTIC Science & Technology

1993-09-15

and structure of the equations. The Lagrangian for- c and we can extract information for any speed of mulation gives us an extremum principle for the...Dueholm and N.F. Pedersen, J. Appi. [261 For references on this see e.g. N.F. Pedersen, in: Phys. 60 (1986) 1447. SQUID 80, eds. H. Hahlbohm and H...obtained for arbitrary initial conditions, and a number of physical How do we augment the DNLSE (4) to treat features have been extracted [121. The

Preliminary Reports, Memoranda and Technical Notes of the Materials Research Council Summer Conference, La Jolla, CA

DTIC Science & Technology

1975-07-01

1298 (1974); T. Wei, S. Etemad, A. F. Garito and A. J. Heeger, Phys. Lett. 4_5a 269 (1973). G. A. Vhomas, et. al .. Solid State Comm. 0£, 000...C. Beer, Eds. (Academic Press, New York 1975) Vol. 11 (to be published). H. Fetterman et al ., IEEE Trans. MTT-22, 1013 (1974) 8. A. H. Silver...increasing temperature over extensive ranges. Such measure- ments were reported by Johnston et al .?1 for the fast ionic conductor RbAgJ,. Thermal

Special issue: diagnostics of atmospheric pressure microplasmas

NASA Astrophysics Data System (ADS)

Bruggeman, Peter; Czarnetzki, Uwe; Tachibana, Kunihide

2013-11-01

In recent decades, a strong revival of non-equilibrium atmospheric pressure plasma studies has developed in the form of microplasmas. Microplasmas have typical scales of 1 mm or less and offer a very exciting research direction in the field of plasma science and technology as the discharge physics can be considerably different due to high collisionality and the importance of plasma-surface interaction. These high-pressure small-scale plasmas have a diverse range of physical and chemical properties. This diversity coincides with various applications including light/UV sources [1], material processing [2], chemical analysis [3], material synthesis [4], electromagnetics [5], combustion [6] and even medicine [7]. At atmospheric pressure, large scale plasmas have the tendency to become unstable due to the high collision rates leading to enhanced heating and ionization compared to their low-pressure counterparts. As low-pressure plasmas typically operate in reactors with sizes of tens of centimetres, scaling up the pressure to atmospheric pressure the size of the plasma reduces to typical sizes below 1 mm. A natural approach of stabilizing atmospheric pressure plasmas is thus the use of microelectrode geometries. Traditionally microplasmas have been produced in confined geometries which allow one to stabilize dc excited discharges. This stabilization is intrinsically connected to the large surface-to-volume ratio which enhances heat transfer and losses of charged and excited species to the walls. Currently challenging boundaries are pushed by producing microcavity geometries with dimensions of the order of 1 µm [8]. The subject of this special issue, diagnostics of microplasmas, is motivated by the many challenges in microplasma diagnostics in view of the complex chemistry and strong spatial (and even temporal) gradients of species densities and plasma properties. Atmospheric pressure plasmas have a very long history dating back more than 100 years, with early work of, e.g. Werner von Siemens [9], who studied a dielectric barrier discharge (DBD) in the context of ozone generation. DBD discharges often consist of numerous filamentary discharges which are inherently transient in nature and with a characteristic size similar to the dimensions of microplasmas. Several groups are investigating the stabilization of such plasma filaments to perform temporal and spatial resolved diagnostics. To this end and due to the many similar challenges for diagnostics, this type of discharge is also included in this special issue. Research on microplasmas is performed in many groups spread all over the world, and a biannual workshop is devoted to the topic. The 7th edition of this International Workshop on Microplasmas was held in Beijing in May 2013. Large research programs consisting of clusters of research labs such as in Japan, Germany, France and the USA have been producing a wealth of information available in the literature. As the editors of this special issue, we are very pleased to have attracted a collection of excellent papers from leading experts in the field covering most of the current diagnostics performed in microplasmas. As an introduction to the regular special issue papers, a review paper is included [10]. It describes the key characteristics of atmospheric pressure plasmas and microplasmas in particular, and reviews the state of the art in plasma diagnostics. Special attention has been given in this review to highlighting the issues and challenges to probe microplasmas. The regular papers cover a large range of different diagnostics including coherent anti-Stokes Raman scattering (CARS) [11], (two-photon) laser induced fluorescence ((Ta)LIF) [12, 13, 18, 24], absorption spectroscopy [13-18], optical emission spectroscopy [12, 16-21, 24], imaging [22, 23], surface diagnostics [24, 25] and mass spectrometry [26, 27]. Different aspects of microplasmas are broadly investigated from a perspective of diagnostics, modelling and applications. Diagnostics are pivotal to both the development of models and the optimization and exploration of novel applications. Consequently, this special issue is focused on the various aspects and challenges for diagnostics in microplasmas. In addition, previous special issues on the topic of microplasmas have already covered many aspects of source development, applications and modelling [28-31]. The reader who wishes to access additional background information on microplasmas is referred to the following review papers [32-35]. We would like to thank all the contributors and the editorial staff who were of tremendous support in the preparation of this special issue. It is our sincere hope that you enjoy reading this special issue and that it will be a reference and helpful guidance for young researchers embarking in the field of microplasmas. The continued effort to increase our understanding of plasmas by modelling and diagnostics is of key importance for plasma science and the development of novel technologies. References [1] Eden J G, Park S-J, Herring C M and Bulson J M 2011 J. Phys. D: Appl. Phys. 44 224011 [2] Lucas N, Ermel V, Kurrat M and Buttgenbach S 2008 J. Phys. D: Appl. Phys. 41 215202 [3] Karnassios V 2004 Spectrochim. Acta B 59 909-28 [4] Mariotti D and Sankaran RM 2010 J. Phys. D: Appl. Phys. 43 323001 [5] Sakai O and Tachibana K 2012 Plasma Sources Sci. Technol. 21 013001 [6] Starikovskaia S M 2006 Plasma assisted ignition and combustion J. Phys. D.: Appl. Phys. 39 R265-99 [7] Fridman G, Friedman G, Gutsol A, Shekhter A B, Vasilets V N and Fridman A 2008 Plasma Process. Polym. 5 503-33 [8] Eden G et al 2013 IEEE Trans. Plasma Sci. 41 661-75 [9] Siemens W 1857 Poggendorffs. Ann. Phys. Chem. 102 66-122 [10] Bruggeman P and Brandenburg R 2013 J. Phys. D: Appl. Phys. 46 464001 [11] Montello A et al 2013 J. Phys. D: Appl. Phys. 46 464002 [12] Schröder D et al 2013 J. Phys. D: Appl. Phys. 46 464003 [13] Verreycken T et al 2013 J. Phys. D: Appl. Phys. 46 464004 [14] Sousa J S and Puech V 2013 J. Phys. D: Appl. Phys. 46 464005 [15] Takeda K et al 2013 J. Phys. D: Appl. Phys. 46 464006 [16] Vallade J and Massines F 2013 J. Phys. D: Appl. Phys. 46 464007 [17] Wang C and Wu W 2013 J. Phys. D: Appl. Phys. 46 464008 [18] Schröter S et al 2013 J. Phys. D: Appl. Phys. 46 464009 [19] Rusterholtz D L et al 2013 J. Phys. D: Appl. Phys. 46 464010 [20] Huang B-D et al 2013 J. Phys. D: Appl. Phys. 46 464011 [21] Pothiraja R et al 2013 J. Phys. D: Appl. Phys. 46 464012 [22] Marinov I et al 2013 J. Phys. D: Appl. Phys. 46 464013 [23] Akishev Y et al 2013 J. Phys. D: Appl. Phys. 46 464014 [24] Brandenburg R et al 2013 J. Phys. D: Appl. Phys. 46 464015 [25] Houlahan T J Jret al 2013 J. Phys. D: Appl. Phys. 46 464016 [26] Benedikt J et al 2013 J. Phys. D: Appl. Phys. 46 464017 [27] McKay K et al 2013 J. Phys. D: Appl. Phys. 46 464018 [28] Selected papers from the 2nd International Workshop on Microplasmas 2005 J. Phys. D: Appl. Phys. 38 1633-759 [29] Special issue: 3rd International Workshop on Microplasmas 2007 Control. Plasma Phys. 47 3-128 [30] Cluster issue on Microplasmas: 4th International Workshop on Microplasmas 2008 J. Phys. D: Appl. Phys. 41 1904001 [31] Microplasmas: scientific challenges and technological opportunities 2010 Eur. Phys. J. D 60 437-608 [32] Becker K H, Schoenbach K H and Eden J G 2006 J. Phys. D: Appl. Phys. 39 R55 [33] Iza F, Kim G J, Lee S M, Lee J K, Walsh J L, Zhang Y T and Kong M G 2008 Plasma Process. Polym. 5 322-44 [34] Tachibana K 2006 Trans. Electr. Electron. Eng. 1 145-55 [35] Samukawa S et al 2012 J. Phys. D: Appl. Phys. 45 253001

An experimental palladium-103 seed (OptiSeedexp) in a biocompatible polymer without a gold marker: characterization of dosimetric parameters including the interseed effect.

PubMed

Abboud, F; Scalliet, P; Vynckier, S

2008-12-01

Permanent implantation of 125I (iodine) or 103Pd (palladium) sources is a popular treatment option in the management of early stage prostate cancer. New sources are being developed, some of which are being marketed for different clinical applications. A new technique of adjuvant stereotactic permanent seed breast implant, similar to that used in the treatment of prostate cancer, has been proposed by [N. Jansen et al., Int. J. Radiat. Oncol. Biol. Phys. 67, 1052-1058 (2007)] with encouraging results. The presence of artifacts from the metallic seeds, however, can disturb follow-up imaging. The development of plastic seeds has reduced these artifacts. This paper presents a feasibility study of the advantages of palladium-103 seeds, encapsulated with a biocompatible polymer, for future clinical applications, and on the effect of the gold marker on the dosimetric characteristics of such seeds. Experimental palladium seeds, OptiSeedexp, were manufactured by International Brachytherapy (IBt), Seneffe, Belgium, from a biocompatible polymer, including the marker. Apart from the absence of a gold marker, the studied seed has an identical design to the OptiSeed103 [Phys. Med. Biol. 50, 1493-1504 (2005)]; [Appl. Radiat. Isot. 63, 311-321 (2005)]. Polymer encapsulation was preferred by IBt in order to reduce the quantity of radioactive material needed for a given dose rate and to reduce the anisotropy of the radiation field around the seed. In addition, this design is intended to decrease the interseed effects that can occur as a result of the marker and the encapsulation. Dosimetric measurements were performed using LiF thermoluminescent dosimeters (1 mm3) in solid water phantoms (WT1). Measured data were compared to Monte Carlo simulated data in solid water using the MCNP code, version 4C. Updated cross sections [Med. Phys. 30, 701-711 (2003)] were used. As the measured and calculated data were in agreement, Monte Carlo calculations were then performed in liquid water to obtain relevant dosimetric data as required by TG-43U1 recommendations. Comparison of the results with previous studies of OptiSeed103 [Phys. Med. Biol. 50, 1493-1504 (2005)]; [Appl. Radiat. Isot. 63, 311-321 (2005)], and of InterSource103 [Appl. Radiat. Isot. 57, 805-811 (2002)] showed very good agreement for the dose rate constant and for the radial dose function. With respect to the anisotropy function, the relative dose (anisotropy value relative to 90 degrees) from the polymer seed at a distance of 3 cm was close to unity (105%) at 0 degrees, whereas the relative values for the OptiSeed103 with a gold marker and the titanium-encapsulated InterSource103 seed decreased to 70% and 40%, respectively. The interseed effect from one seed was negligible and in the order of calculation uncertainty, making calculation of the dose rate distribution of the studied seeds, according to TG43U1 recommendations, more accurate and closer to reality. This feasibility study shows that due to the low energy of palladium-103, the negligible interseed effect and the reduced artifacts in postimplant medical imaging, this experimental plastic seed would be a good source for breast brachytherapy. This feasibility study was carried out in collaboration with IBt and will be continued with a study of its visibility in different tissues.

An experimental palladium-103 seed (OptiSeed{sup exp}) in a biocompatible polymer without a gold marker: Characterization of dosimetric parameters including the interseed effect

DOE Office of Scientific and Technical Information (OSTI.GOV)

Abboud, F.; Scalliet, P.; Vynckier, S.

Permanent implantation of {sup 125}I (iodine) or {sup 103}Pd (palladium) sources is a popular treatment option in the management of early stage prostate cancer. New sources are being developed, some of which are being marketed for different clinical applications. A new technique of adjuvant stereotactic permanent seed breast implant, similar to that used in the treatment of prostate cancer, has been proposed by [N. Jansen et al., Int. J. Radiat. Oncol. Biol. Phys. 67, 1052-1058 (2007)] with encouraging results. The presence of artifacts from the metallic seeds, however, can disturb follow-up imaging. The development of plastic seeds has reduced thesemore » artifacts. This paper presents a feasibility study of the advantages of palladium-103 seeds, encapsulated with a biocompatible polymer, for future clinical applications, and on the effect of the gold marker on the dosimetric characteristics of such seeds. Experimental palladium seeds, OptiSeed{sup exp}, were manufactured by International Brachytherapy (IBt), Seneffe, Belgium, from a biocompatible polymer, including the marker. Apart from the absence of a gold marker, the studied seed has an identical design to the OptiSeed{sup 103}[Phys. Med. Biol. 50, 1493-1504 (2005)]; [Appl. Radiat. Isot. 63, 311-321 (2005)]. Polymer encapsulation was preferred by IBt in order to reduce the quantity of radioactive material needed for a given dose rate and to reduce the anisotropy of the radiation field around the seed. In addition, this design is intended to decrease the interseed effects that can occur as a result of the marker and the encapsulation. Dosimetric measurements were performed using LiF thermoluminescent dosimeters (1 mm{sup 3}) in solid water phantoms (WT1). Measured data were compared to Monte Carlo simulated data in solid water using the MCNP code, version 4C. Updated cross sections [Med. Phys. 30, 701-711 (2003)] were used. As the measured and calculated data were in agreement, Monte Carlo calculations were then performed in liquid water to obtain relevant dosimetric data as required by TG-43U1 recommendations. Comparison of the results with previous studies of OptiSeed{sup 103}[Phys. Med. Biol. 50, 1493-1504 (2005)]; [Appl. Radiat. Isot. 63, 311-321 (2005)], and of InterSource{sup 103}[Appl. Radiat. Isot. 57, 805-811 (2002)] showed very good agreement for the dose rate constant and for the radial dose function. With respect to the anisotropy function, the relative dose (anisotropy value relative to 90 degree sign ) from the polymer seed at a distance of 3 cm was close to unity (105%) at 0 degree sign , whereas the relative values for the OptiSeed{sup 103} with a gold marker and the titanium-encapsulated InterSource{sup 103} seed decreased to 70% and 40%, respectively. The interseed effect from one seed was negligible and in the order of calculation uncertainty, making calculation of the dose rate distribution of the studied seeds, according to TG43U1 recommendations, more accurate and closer to reality. This feasibility study shows that due to the low energy of palladium-103, the negligible interseed effect and the reduced artifacts in postimplant medical imaging, this experimental plastic seed would be a good source for breast brachytherapy. This feasibility study was carried out in collaboration with IBt and will be continued with a study of its visibility in different tissues.« less

Reminiscing about thesis work with E T Jaynes at Stanford in the 1950s

NASA Astrophysics Data System (ADS)

Cummings, Frederick W.

2013-11-01

Abstract A short personal and historical account of the field of radiation interacting with (two-level) atoms is given. Subsequent to 1963, developments and extensions have been extensive and fruitful. One of the most fortunate changes in my life came in late 1957. I was looking for a thesis advisor, after two years of graduate course-work at Stanford. I chanced to see a notice of an upcoming lecture by a professor named Edwin T Jaynes. I could not understand from the announcement what he intended to talk about, but I was searching; I went to find out. That decision was a very lucky one. Ed was talking about a subject that inspired him then, and had been for many years, namely his concept of 'Max-Ent'. 'Maximum-Entropy' is a subject now close to my heart also. Ed's very-clear, well-thought-out papers, spread over many subsequent years, are transforming the field of probability (albeit too gradually) to the 'subjective' outlook of Bayes. (A recent book 'Maximum Entropy and Ecology' [1] will probably convert many nay-sayers to 'Max-Ent'.) I went into Ed's office (late 1957) and asked if I could work with him on a thesis. Did he have a problem for me? Yes, he did. Somewhat to my surprise, he asked me to look into the 'maser problem', involving a comparison of the semi-classical theory of radiation to a proper quantum treatment. To make a two-year story short, Ed's guidance was expert. (I imagine that if another of Ed's students (e.g. Joe Eberly) had come into his office fifteen minutes before me, the 'Jaynes-Cummings' (J-C) model would now perhaps be called otherwise, e.g., the 'J-E' model). In the two-year time frame (~1958-60), Ed had a number of other PhD dissertation students whom I knew; these included Joe Eberly, Doug Scalapino, Baldwin Robertson, Larry Davis and Mike Duggan. My thesis work under Ed reminds me of a story about Michelangelo and his famous 'Pieta'. Michelangelo was an old man about then, so he hired a young craftsman to do much of the physical work: 'chip here, carve there, cut off here, eliminate this, etc'. When the beautiful Pieta was finished, the young man was heard to say, 'I didn't realize before this that I was so talented'. Experiments by Clauser in 1972 on Bell's inequalities (e.g. [2]) showed them to be correct, and indicated that semi-classical alternatives to quantum electrodynamics were not viable. Working with Stuart Freedman, these were the first experimental tests of the predictions of Bell's theorem, the first observation of quantum entanglement, as well as the first experimental observation of a violation of a Bell inequality. The perturbation formulation of quantum radiation theory has long been rife with vexing infinities. Ed always insisted that only experiment can end an argument, so he and his students had been sensibly exploring semi-classical theory. This was not only because of the serious failings of standard QED, but more importantly because of the fact that (an improved) semi-classical theory was able to predict both spontaneous emission, with the correct Einstein coefficients, and the Lamb shift. These two effects have long been thought only possible in the quantum radiation domain (cf [3]). Ed readily accepted losing his bet with Franken about what experiment had to say about the Lamb shift. What is clear is that this bet of 50 with Peter Franken stimulated so much subsequent research that this bet played an important role in generally furthering the field of quantum optics. How did 'J-C' come to be published as it did in the IEEE [4]? Ed was not well known for the extravagant use of words, rather for paucity, clarity and economy. After about two years of working with Ed, he said to me one day, 'You have enough, write it up'. He also said 'We should publish'. (This was around early 1960). About this same time, I was contacted by someone from a new research lab just starting in Newport Beach, California (called 'Aeroneutronic', a division of Ford), asking if I would come to work there. I thought it sounded about right as an approximately two-three year position: repay some debts and look around at other possibilities (especially academe?). I left around June 1960 to take up this position in the research lab in Newport Beach. At about this same time (~late 1959), Ed was moving to his new 'chair' at Washington University in St Louis. I proceeded as quickly as I could to put together a thesis after arriving in Newport Beach; I wrote about what I had done, as best as I could in my naiveté about such undertakings. I wrote of the work I had done under Ed's kind and patient guidance for the two years in Palo Alto. I soon remembered that Ed had done a recent Stanford Microwave Lab report on our project; his writing was so much better than mine that I thought it witless to put out something as 'uneven' as I had written by then. At just this time that I was cobbling together a thesis, a consultant at Aeroneutronic, Jay Singer of UC Berkeley EE department, approached me in the hall, (no tele-commuting then!) asking if I might have something to contribute to a special issue of a journal of the IEEE he was editing, on the subject of 'Quantum Electronics'. (Comment: One of the earliest predecessors to the MRI, Jay Singer was then measuring the blood flow in rat tails and human arms; he holds two key MRI patents). I said I thought I did have something. The journal sounded appropriate, so I soon handed my 'thesis' to Jay, put Ed's name first (of course, since it consisted so largely of his words from the Microwave Lab report, but also since Ed was my 'guru'), ...and that was that...done [4]. From my perspective, it seemed to subsequently sink to the bottom of the sea, not to be seen by me again for many years until the elegant Walther-Rempe-Klein (WRK) experiments of 1987 on long-time coherent radiative behavior appeared [5]. They confirmed the long-time quantum-theoretical results of Eberly, Narozhny and Sanchez-Mondragon [6]. Bob Buley and I, while at Aeroneutronic, had published in the field of lasers [7], based on the J-C model. We found very strange, puzzling 'chaotic' output of a 'Q-switched' laser. When computer time-steps were changed, the chaos didn't disappear. It was about then (~June 1963) that both Bob and I headed elsewhere: I to the early-forming UC Riverside Physics Department as Assistant Professor, and Bob to a company in Santa Barbara. Our work on the mysterious 'chaotic' laser effect then ended (the term 'chaos' was not yet in the physics lexicon); Bob was the computer expert, our non-linear laser problem demanded rigorous numerical computations, and I was not savvy with the (then) 'refrigerator-sized' computers at UCR. P W Milonni has greatly extended this work (cf [8]). Mike Tavis, my graduate student at UCR around 1965, extended the J-C model to N atoms [9]. (We have more recently collaborated in a further study of this and other extensions of J-C.) The silence and zero feedback from the 'J-C', Buley and 'T-C' papers for so many years following 1965 was a bit deafening, so I thought it would be best that I go mostly onto other topics. One day in about 1989, I got a tap on the shoulder from a colleague at UCR: 'I saw your name in the title of a paper'. ('Huh?'). An astonishing number of exciting and important new topics have emerged since the 1987 WRK experiment, providing an ever-branching tree of both new theory and experiment. It is tempting to entitle this piece as 'Get your name in print: Diagonalize a 2 × 2'. References [1] Harte J 2011 Maximum Entropy and Ecology: A Theory of Abundance, Distribution, and Energetics (Oxford Series in Ecology and Evolution) (Oxford: Oxford University Press) [2] Freedman S J and Clauser J F 1972 Experimental test of local hidden-variable theories Phys. Rev. Lett. 28 938 [3] Stroud C R Jr and Jaynes E T 1970 Long-term solutions in semiclassical radiation theory Phys. Rev. A 1 106 [4] Jaynes E T and Cummings F W 1963 Comparison of quantum and semiclassical radiation theories with application to the beam maser Proc. IEEE 51 89 [5] Rempe G, Walther H and Klein N 1987 Observation of quantum collapse and revival in a one-atom maser Phys. Rev. Lett. 58 353 [6] Eberly J H, Narozhny N B and Sanchez-Mondragon J J 1980 Periodic spontaneous collapse and revival in a simple quantum Phys. Rev. Lett. 44 1323 [7] Buley E R and Cummings F W 1964 Dynamics of a system of N atoms interacting with a radiation field Phys. Rev. 134 A1454 [8] Milonni P W, Shin M-L and Ackerhalt J R 1987 Chaos in Laser-Matter Interactions (Singapore: World Scientific) [9] Tavis M and Cummings F W 1968 Exact solution for an N -molecule—radiation-field Hamiltonian Phys. Rev. 170 379

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Yingjie, E-mail: yzx@ansto.gov.au; Bhadbhade, Mohan; Karatchevtseva, Inna

Three new coordination polymers of uranium(VI) with pyromellitic acid (H{sub 4}btca) have been synthesized and structurally characterized. (ED)[(UO{sub 2})(btca)]·(DMSO)·3H{sub 2}O (1) (ED=ethylenediammonium; DMSO=dimethylsulfoxide) has a lamellar structure with intercalation of ED and DMSO. (NH{sub 4}){sub 2}[(UO{sub 2}){sub 6}O{sub 2}(OH){sub 6}(btca)]·~6H{sub 2}O (2) has a 3D framework built from 7-fold coordinated uranyl trinuclear units and btca ligands with 1D diamond-shaped channels (~8.5 Å×~8.6 Å). [(UO{sub 2}){sub 2}(H{sub 2}O)(btca)]·4H{sub 2}O (3) has a 3D network constructed by two types of 7-fold coordinated uranium polyhedron. The unique μ{sub 5}-coordination mode of btca in 3 enables the formation of 1D olive-shaped large channels (~4.5more » Å×~19 Å). Vibrational modes, thermal stabilities and fluorescence properties have been investigated. - Graphical abstract: Table of content: three new uranium(VI) coordination polymers with pyromellitic acid (H{sub 4}btca) have been synthesized via room temperature and hydrothermal synthesis methods, and structurally characterized. Two to three dimensional (3D) frameworks are revealed. All 3D frameworks have unique 1D large channels. Their vibrational modes, thermal stabilities and photoluminescence properties have been investigated. - Highlights: • Three new coordination polymers of U(VI) with pyromellitic acid (H{sub 4}btca). • Structures from a 2D layer to 3D frameworks with unique 1D channels. • Unusual µ{sub 5}-(η{sub 1}:η{sub 2}:η{sub 1}:η{sub 2:}η{sub 1}) coordination mode of btca ligand. • Vibrational modes, thermal stabilities and luminescent properties reported.« less

Analytical approximation for the Einstein-dilaton-Gauss-Bonnet black hole metric

NASA Astrophysics Data System (ADS)

Kokkotas, K. D.; Konoplya, R. A.; Zhidenko, A.

2017-09-01

We construct an analytical approximation for the numerical black hole metric of P. Kanti et al. [Phys. Rev. D 54, 5049 (1996), 10.1103/PhysRevD.54.5049] in the four-dimensional Einstein-dilaton-Gauss-Bonnet (EdGB) theory. The continued fraction expansion in terms of a compactified radial coordinate, used here, converges slowly when the dilaton coupling approaches its extremal values, but for a black hole far from the extremal state, the analytical formula has a maximal relative error of a fraction of one percent already within the third order of the continued fraction expansion. The suggested analytical representation of the numerical black hole metric is relatively compact and a good approximation in the whole space outside the black hole event horizon. Therefore, it can serve in the same way as an exact solution when analyzing particles' motion, perturbations, quasinormal modes, Hawking radiation, accreting disks, and many other problems in the vicinity of a black hole. In addition, we construct the approximate analytical expression for the dilaton field.

Threshold krypton charge-state distributions coincident with K-shell fluorescence.

NASA Astrophysics Data System (ADS)

Armen, Brad; Levin, Jon; Kanter, Elliot; Krässig, Bertold; Southworth, Steve; Young, Linda

2001-05-01

The distribution of Kr^q+ ionic charge states has been measured in coincidence with K-shell photon emission as a function of incident-photon energy across the krypton 1s threshold. With this scheme, we observe changes resulting from the contrast between resonant Raman and fluorescence effects. By selecting the radiative(U. Arp, T. LeBrun, S. H. Southworth, M. A. MacDonald, and M. Jung, Phys. Rev.) A 51 3598 (1995), as opposed to the non-radiative(G. B. Armen, J. C. Levin, and I. A. Sellin, Phys. Rev.) A 53 772 (1996) channel, excitation PCI effects are suppressed. In general, the higher charge states are seen to increase in importance as the edge is traversed. We present the experimental results in detail and an interpretation of the observed trends, based on a simple model of the excitation processfootnoteÅberg and Tulkki, in Atomic Inner-Shell Physics ed. B. Crasemann, Plenum 1985 and the ensuing cascade decay.

Uncoated and Polymer Coated Titanium Dioxide (TiO2)Nanoparticles: Differences in Deposition and Charge Characteristics

EPA Science Inventory

The advent of nanotechnology has opened up several potential avenues starting from the development of advanced manufacturing processes, revolutionary medical treatments, new consumer products, environmental applications, pollution control, etc. The backbone of this new leading-ed...

Same-View Nano-XAFS/STEM-EDS Imagings of Pt Chemical Species in Pt/C Cathode Catalyst Layers of a Polymer Electrolyte Fuel Cell.

PubMed

Takao, Shinobu; Sekizawa, Oki; Samjeské, Gabor; Nagamatsu, Shin-ichi; Kaneko, Takuma; Yamamoto, Takashi; Higashi, Kotaro; Nagasawa, Kensaku; Uruga, Tomoya; Iwasawa, Yasuhiro

2015-06-04

We have made the first success in the same-view imagings of 2D nano-XAFS and TEM/STEM-EDS under a humid N2 atmosphere for Pt/C cathode catalyst layers in membrane electrode assemblies (MEAs) of polymer electrolyte fuel cells (PEFCs) with Nafion membrane to examine the degradation of Pt/C cathodes by anode gas exchange cycles (start-up/shut-down simulations of PEFC vehicles). The same-view imaging under the humid N2 atmosphere provided unprecedented spatial information on the distribution of Pt nanoparticles and oxidation states in the Pt/C cathode catalyst layer as well as Nafion ionomer-filled nanoholes of carbon support in the wet MEA, which evidence the origin of the formation of Pt oxidation species and isolated Pt nanoparticles in the nanohole areas of the cathode layer with different Pt/ionomer ratios, relevant to the degradation of PEFC catalysts.

Hyperbolic metamaterial nanostructures to tune charge-transfer dynamics (Conference Presentation)

NASA Astrophysics Data System (ADS)

Lee, Kwang Jin; Xiao, Yiming; Woo, Jae Heun; Kim, Eun Sun; Kreher, David; Attias, André-Jean; Mathevet, Fabrice; Ribierre, Jean-Charles; Wu, Jeong Weon; André, Pascal

2016-09-01

Charge transfer (CT) is an essential phenomenon relevant to numerous fields including biology, physics and chemistry.1-5 Here, we demonstrate that multi-layered hyperbolic metamaterial (HMM) substrates alter organic semiconductor CT dynamics.6 With triphenylene:perylene diimide dyad supramolecular self-assemblies prepared on HMM substrates, we show that both charge separation (CS) and charge recombination (CR) characteristic times are increased by factors of 2.5 and 1.6, respectively, resulting in longer-lived CT states. We successfully rationalize the experimental data by extending Marcus theory framework with dipole image interactions tuning the driving force. The number of metal-dielectric pairs alters the HMM interfacial effective dielectric constant and becomes a solid analogue to solvent polarizability. Based on the experimental results and extended Marcus theory framework, we find that CS and CR processes are located in normal and inverted regions on Marcus parabola diagram, respectively. The model and further PH3T:PCBM data show that the phenomenon is general and that molecular and substrate engineering offer a wide range of kinetic tailoring opportunities. This work opens the path toward novel artificial substrates designed to control CT dynamics with potential applications in fields including optoelectronics, organic solar cells and chemistry. 1. Marcus, Rev. Mod. Phys., 1993, 65, 599. 2. Marcus, Phys. Chem. Chem. Phys., 2012, 14, 13729. 3. Lambert, et al., Nat. Phys., 2012, 9, 10. 4. C. Clavero, Nat. Photon., 2014, 8, 95. 5. A. Canaguier-Durand, et al., Angew. Chem. Int. Ed., 2013, 52, 10533. 6. K. J. Lee, et al., Submitted, 2015, arxiv.org/abs/1510.08574.

Polymer lipids stabilize the ripple phase in lipid bilayers

NASA Astrophysics Data System (ADS)

Cunningham, Beth; Likar, Justin; Wolfe, David; Williams, W. Patrick

2001-03-01

We have recently discovered using X-ray diffraction that incorporating membrane lipids with covalently attached polymer headgroups leads to a marked stabilization of the ripple phase of dipalmitoyl phosphatidylcholine (DPPC). The ripple phase of DPPC is an undulated gel phase normally restricted to a temperature range 36 to 41^oC. In the presence of small amounts of dipalmitoyl phosphatidylethanolamine (DPPE) derivatives with polyethylene glycol (PEG) headgroups, the ripple phase is stable over a temperature range of a least 20 to 65^oC. We attribute this ability of the polymer lipid to stabilize the ripple phase to its tendency to accumulate in, and then stabilize, regions of high membrane curvature^1. 1. H.E. Warriner, P. Davidson, N.L. Slack, M. Schellhorn, P. Eiselt, S. H. J. Idziak, H.-W. Schmidt, and C.R. Safinya, J. Chem. Phys. (1997) 107, 3707-3722.

Molecular Modeling of Interfacial Behaviors of Nanomaterials

DTIC Science & Technology

2007-05-01

potential was originally designed for the modeling of mixed covalent- ionic bonding and was successfully used to describe oxides in crystalline, glassy, and...is separates from the bulk liquid polymer, i.e., the structure of this layer, as influenced by that of the meatal surface, is significantly more...Striolo, J. Kieffer, and P. Cummings, ’Evaluation of Force- fields for molecular simulation of polyhedral oligomeric silsesquioxanes,’ J. Phys. Chem

A Study on the Deposition of Al2O3 Coatings on Polymer Substrates by a Plasma Spray/Micro-Arc Oxidation Two-Step Method

NASA Astrophysics Data System (ADS)

Sun, Guanhong; He, Xiaodong; Jiang, Jiuxing; Sun, Yue; Zhong, Yesheng

2013-02-01

To increase the wear resistance of polymer matrix composites, alumina coatings were deposited on polymer substrates by a two-step method combining plasma spraying and micro-arc oxidation. The microstructures and phase compositions of the processed coatings were investigated for different treatment times. Uniformly distributed pores were found in addition to the presence of various coral-like structures and floccules on the surface of the coatings. The presence of α-Al2O3 and γ-Al2O3 phases was identified by XRD. The distribution of alumina was analyzed by EDS and is discussed. The maximum bond strength of the coatings was found to be 5.89 MPa. There was little thermal damage in the polymer substrates after the coatings were produced.

Evaluation of non-SBS modified binders using the multiple stress creep recovery test : [research project capsule].

DOT National Transportation Integrated Search

2015-12-01

Higher tra c coupled with heavier loads led the asphalt industry to introduce polymer-modi ed : binders to enhance the durability and strength of HMA pavements. Numerous research projects : showed that G*/Sin, the high temperature speci ca...

Competition of mesoscales and crossover to theta-point tricriticality in near-critical polymer solutions.

PubMed

Anisimov, M A; Kostko, A F; Sengers, J V; Yudin, I K

2005-10-22

The approach to asymptotic critical behavior in polymer solutions is governed by a competition between the correlation length of critical fluctuations diverging at the critical point of phase separation and an additional mesoscopic length scale, the radius of gyration. In this paper we present a theory for crossover between two universal regimes: a regime with Ising (fluctuation-induced) asymptotic critical behavior, where the correlation length prevails, and a mean-field tricritical regime with theta-point behavior controlled by the mesoscopic polymer chain. The theory yields a universal scaled description of existing experimental phase-equilibria data and is in excellent agreement with our light-scattering experiments on polystyrene solutions in cyclohexane with polymer molecular weights ranging from 2 x 10(5) up to 11.4 x 10(6). The experiments demonstrate unambiguously that crossover to theta-point tricriticality is controlled by a competition of the two mesoscales. The critical amplitudes deduced from our experiments depend on the polymer molecular weight as predicted by de Gennes [Phys. Lett. 26A, 313 (1968)]. Experimental evidence for the presence of logarithmic corrections to mean-field tricritical theta-point behavior in the molecular-weight dependence of the critical parameters is also presented.

A Brief Review of Some Approaches to Hysteresis in Viscoelastic Polymers

DTIC Science & Technology

2008-01-27

Pokrovskii, Systems with Hysteresis, Nauka, Moscow, 1983; translated, Springer-Verlag, Berlin, 1989. [46] V. Lakshmikantham and M. Rama Mohana Rao ...S.G. Braun, D. Ewins and S. Rao , eds.), Academic Press, London, 2001, 658–664. [23] H.T. Banks and G.A. Pinter, A probabilistic multiscale approach

Near-infrared optical-absorption behavior in high-beta nonlinear optical chromophore-polymer guest-host materials. II. Dye spacer length effects in an amorphous polycarbonate copolymer host

NASA Astrophysics Data System (ADS)

Barto, Richard R.; Frank, Curtis W.; Bedworth, Peter V.; Ermer, Susan; Taylor, Rebecca E.

2005-06-01

In the second of a three-part series, spectral absorption behavior of nonlinear optical (NLO) dyes incorporated into amorphous polycarbonate, comprised of a homologous series of dialkyl spacer groups extending from the midsection of the dye molecule, is characterized by UV-Vis and photothermal deflection spectroscopy. The dyes are structural analogs of the NLO dye FTC [2-(3-cyano-4-{2-[5-(2-{4-[ethyl-(2-methoxyethyl)amino]phenyl}vinyl)-3,4-diethylthiophen-2-yl]vinyl}-5,5-dimethyl-5H-furan-2-ylidene)malononitrile]. Previous Monte Carlo calculations [B. H. Robinson and L. R. Dalton, J. Phys. Chem. A 104, 4785 (2000)] predict a strong dependence of the macroscopic nonlinear optical susceptibility on the chromophore waist: length aspect ratio in electric-field-poled films arising from interactions between chromophores. It is expected that these interactions will play a role in the absorption characteristics of unpoled films, as well. The spacer groups range in length from diethyl to dihexyl, and each dye is studied over a wide range of concentrations. Among the four dyes studied, a universal dependence of near-IR loss on inhomogeneous broadening of the dye main absorption peak is found. The inhomogeneous width and its concentration dependence are seen to vary with spacer length in a manner characteristic of the near-IR loss-concentration slope at transmission wavelengths of 1.06 and 1.3μm, but not at 1.55μm. The lower wavelength loss behavior is assigned to purely Gaussian broadening, and is described by classical mixing thermodynamic quantities based on the Marcus theory of inhomogeneous broadening [R. A. Marcus, J. Chem. Phys. 43, 1261 (1965)], modeled as a convolution of dye-dye dipole broadening and dye-polymer van der Waals broadening. The Gaussian dipole interactions follow a Loring dipole-broadening description [R. F. Loring, J. Phys. Chem. 94, 513 (1990)] dominated by the excited-state dipole moment, and have a correlated homogeneous broadening contribution. The long-wavelength loss behavior has a non-Gaussian dye-dye dipole contribution which follows Kador's broadening analysis [L. Kador, J. Chem. Phys. 95, 5574 (1991)], with a net broadening described by a convolution of this term with a Gaussian van der Waals interaction given by Obata et al. [M. Obata, S. Machida, and K. Horie, J. Polym. Sci. B 37, 2173 (1999)], with each term governed by the dye spacer length. A minimum in broadening and loss-concentration slope at a spacer length of four carbons per alkyl at all wavelengths has important consequences for practical waveguide devices, and is of higher aspect ratio than the spherical limit shown by Robinson and Dalton to minimize dipole interactions under a poling field.

Antifouling activities of β-cyclodextrin stabilized peg based silver nanocomposites

NASA Astrophysics Data System (ADS)

Punitha, N.; Saravanan, P.; Mohan, R.; Ramesh, P. S.

2017-01-01

Self-polishing polymer composites which release metal biocide in a controlled rate have been widely used in the design of antimicrobial agents and antifouling coatings. The present work focuses on the environmental friendly green synthesis of PEG based SNCs and their application to biocidal activity including marine biofouling. Biocompatible polymer β-CD and adhesive resistance polymer PEG were used to functionalize the SNPs and the as synthesized SNCs exhibit excellent micro fouling activities. The structural and optical properties were confirmed by XRD and UV-visible techniques respectively. The particle surface and cross sectional characteristics were examined by SEM-EDS, HR-TEM, AFM and FTIR. The surface potential was evaluated using ZP analysis and assessment of antibiofouling property was investigated using static immersion method.

High energy neutrinos from astrophysical accelerators of cosmic ray nuclei

NASA Astrophysics Data System (ADS)

Anchordoqui, Luis A.; Hooper, Dan; Sarkar, Subir; Taylor, Andrew M.

2008-02-01

Ongoing experimental efforts to detect cosmic sources of high energy neutrinos are guided by the expectation that astrophysical accelerators of cosmic ray protons would also generate neutrinos through interactions with ambient matter and/or photons. However, there will be a reduction in the predicted neutrino flux if cosmic ray sources accelerate not only protons but also significant numbers of heavier nuclei, as is indicated by recent air shower data. We consider plausible extragalactic sources such as active galactic nuclei, gamma ray bursts and starburst galaxies and demand consistency with the observed cosmic ray composition and energy spectrum at Earth after allowing for propagation through intergalactic radiation fields. This allows us to calculate the expected neutrino fluxes from the sources, normalized to the observed cosmic ray spectrum. We find that the likely signals are still within reach of next generation neutrino telescopes such as IceCube.PACS95.85.Ry98.70.Rz98.54.Cm98.54.EpReferencesFor a review, see:F.HalzenD.HooperRep. Prog. Phys.6520021025A.AchterbergIceCube CollaborationPhys. Rev. Lett.972006221101A.AchterbergIceCube CollaborationAstropart. Phys.262006282arXiv:astro-ph/0611063arXiv:astro-ph/0702265V.NiessANTARES CollaborationAIP Conf. Proc.8672006217I.KravchenkoPhys. Rev. D732006082002S.W.BarwickANITA CollaborationPhys. Rev. Lett.962006171101V.Van ElewyckPierre Auger CollaborationAIP Conf. Proc.8092006187For a survey of possible sources and event rates in km3 detectors see e.g.,W.BednarekG.F.BurgioT.MontaruliNew Astron. Rev.4920051M.D.KistlerJ.F.BeacomPhys. Rev. D742006063007A. Kappes, J. Hinton, C. Stegmann, F.A. Aharonian, arXiv:astro-ph/0607286.A.LevinsonE.WaxmanPhys. Rev. Lett.872001171101C.DistefanoD.GuettaE.WaxmanA.LevinsonAstrophys. J.5752002378F.A.AharonianL.A.AnchordoquiD.KhangulyanT.MontaruliJ. Phys. Conf. Ser.392006408J.Alvarez-MunizF.HalzenAstrophys. J.5762002L33F.VissaniAstropart. Phys.262006310F.W.SteckerC.DoneM.H.SalamonP.SommersPhys. Rev. Lett.6619912697(Erratum-ibid. 69 (1992) 2738)F.W.SteckerPhys. Rev. D722005107301A.AtoyanC.D.DermerPhys. Rev. Lett.872001221102L.A.AnchordoquiH.GoldbergF.HalzenT.J.WeilerPhys. Lett. B6002004202E.WaxmanJ.N.BahcallPhys. Rev. Lett.7819972292C.D.DermerA.AtoyanPhys. Rev. Lett.912003071102D.GuettaD.HooperJ.Alvarez-MunizF.HalzenE.ReuveniAstropart. Phys.202004429J.Alvarez-MunizF.HalzenD.W.HooperPhys. Rev. D622000093015A.LoebE.WaxmanJCAP06052006003S. Inoue, G. Sigl, F. Miniati, E. Armengaud, arXiv:astro-ph/0701167.E.WaxmanJ.N.BahcallPhys. Rev. D591999023002Phys. Rev. D642001023002K.MannheimR.J.ProtheroeJ.P.RachenPhys. Rev. D632001023003arXiv:astro-ph/9908031M.AhlersL.A.AnchordoquiH.GoldbergF.HalzenA.RingwaldT.J.WeilerPhys. Rev. D722005023001E.WaxmanAstrophys. J.4521995L1Note that the neutrino spectral shape can deviate from that for protons if the Feynman plateau is not flat in pseudo-rapidity space;L.AnchordoquiH.GoldbergC.NunezPhys. Rev. D712005065014This is in fact suggested by Tevatron data;F.AbeCDF CollaborationPhys. Rev. D4119902330J.G.LearnedS.PakvasaAstropart. Phys.31995267F.HalzenD.SaltzbergPhys. Rev. Lett.8119984305J.F.BeacomN.F.BellD.HooperS.PakvasaT.J.WeilerPhys. Rev. D682003093005(Erratum-ibid. D 72 (2005) 019901)L.A.AnchordoquiH.GoldbergF.HalzenT.J.WeilerPhys. Lett. B593200442L.A.AnchordoquiH.GoldbergF.HalzenT.J.WeilerPhys. Lett. B621200518A.M.HillasAnn. Rev. Astron. Astrophys.221984425For a general discussion on the acceleration time-scale in these sources see, e.g.,D.F.TorresL.A.AnchordoquiRep. Prog. Phys.6720041663M.C.BegelmanB.RudakM.SikoraAstrophys. J.362199038M.J.ChodorowskiA.A.ZdziarskiM.SikoraAstrophys. J.4001992181S.MichalowskiD.AndrewsJ.EickmeyerT.GentileN.MistryR.TalmanK.UenoPhys. Rev. Lett.391977737J.L.PugetF.W.SteckerJ.H.BredekampAstrophys. J.2051976638D.HooperS.SarkarA.M.TaylorAstropart. Phys.272007199The non-thermal energy release in GRBs is much smaller than that output by AGN.P.L.BiermannP.A.StrittmatterAstrophys. J.3221987643R.J.ProtheroeA.P.SzaboPhys. Rev. Lett.6919922885J.P.RachenP.L.BiermannAstron. Astrophys.2721993161J.P.RachenT.StanevP.L.BiermannAstron. Astrophys.2731993377R.C.HartmanEGRET CollaborationAstrophys. J. Suppl.123199979See e.g.,M.PunchNature3581992477D.PetryHEGRA CollaborationAstron. Astrophys.3111996L13P.M.ChadwickAstrophys. J.5131999161C.D.DermerR.SchlickeiserA.MastichiadisAstron. Astrophys.2561992L27S.D.BloomA.P.MarscherAstrophys. J.4611996657K.MannheimAstron. Astrophys.269199367K.MannheimScience2791998684A.DarA.LaorAstrophys. J.4781997L5F.A.AharonianNew Astron.52000377M.BoettcherAstrophys. J.5151999L21C.D.DermerR.SchlickeiserAstrophys. J.4161993458F.W.SteckerPhys. Rev. Lett.2119681016G.J.FishmanC.A.MeeganAnn. Rev. Astron. Astrophys.331995415For a list of papers related to SWIFT, see: http://swift.gsfc.nasa.gov/docs/swift/results/publist/.B.LinkR.I.EpsteinAstrophys. J.4661996764C.A.MeeganNature3551992143M.R.MetzgerNature3871997878See e.g.,T.PiranPhys. Rep.3141999575T.PiranPhys. Rep.3332000529For a recent review of GRB phenomenology, see:P.MeszarosRep. Prog. Phys.6920062259E.WaxmanLect. Notes Phys.5762001122M.MilgromV.UsovAstrophys. J.4491995L37E.WaxmanPhys. Rev. Lett.751995386M.VietriPhys. Rev. Lett.7819974328D.BandAstrophys. J.4131993281F. Halzen, in: K. Oliver (Ed.), Proceedings of the TASI’98, Boulder, 1998, p. 524.J.W.ElbertP.SommersAstrophys. J.4411995151L.A.AnchordoquiG.E.RomeroJ.A.CombiPhys. Rev. D601999103001L.A. Anchordoqui, J.F. Beacom, H. Goldberg, S. Palomares-Ruiz, T.J. Weiler, arXiv:astro-ph/0611580; arXiv:astro-ph/0611581.The factor 9/(4R) results from calculating ∫dr∫dr|r-r|(4πR/3), where r is the position of a star and r is the position of an observer (the position of the reaction), in a region of radius R uniformly filled with sources.D.A.ForbesM.J.WardV.RotaciucM.BlietzR.GenzelS.DrapatzP.P.van der WerfA.KrabbeAstrophys. J.4061993L11P. Chanial, H. Flores, B. Guiderdoni, D. Elbaz, F. Hammer, L. Vigroux, arXiv:astro-ph/0610900.P.O.LagageC.J.CesarskyAstron. Astrophys.1181983223S.P.LaiJ.M.GirartR.CrutcherAstrophys. J.5982003392W.BednarekMon. Not. R. Astron. Soc.3452003847W.BednarekR.J.ProtheroeAstropart. Phys.162002397P.BlasiA.V.OlintoPhys. Rev. D591999023001F.W.SteckerAstropart. Phys.262007398F.W. Stecker, arXiv:astro-ph/0610208.A γ-ray signal from the nearby starburst galaxy NGC253 was reported by the CANGAROO-II Collaboration but their subsequent re-analysis of the data is consistent with the expectation from backgrounds:C.ItohCANGAROO-II CollaborationAstron. Astrophys.3962002L1(Erratum-ibid. 462 (2007) 67)T.A. Thompson, E. Quataert, E. Waxman, A. Loeb, arXiv:astro-ph/0608699.D.J.BirdFly’s Eye CollaborationPhys. Rev. Lett.7119933401D.R.BergmanHiRes CollaborationNucl. Phys. Proc. Suppl.136200440T.Abu-ZayyadHiRes-MIA CollaborationAstrophys. J.5572001686M.NaganoJ. Phys. G181992423V.BerezinskyA.Z.GazizovS.I.GrigorievaPhys. Rev. D742006043005R.U.AbbasiHiRes CollaborationPhys. Rev. Lett.922004151101V.BerezinskyA.Z.GazizovS.I.GrigorievaPhys. Lett. B6122005147V.S.BerezinskyS.I.GrigorievaB.I.HnatykAstropart. Phys.212004617See Fig. 21 in:L.AnchordoquiM.T.DovaA.MariazziT.McCauleyT.PaulS.ReucroftJ.SwainAnn. Phys.3142004145D.AllardE.ParizotE.KhanS.GorielyA.V.OlintoAstron. Astrophys.4432005L29D.AllardE.ParizotA.V.OlintoAstropart. Phys.27200761T.Abu-ZayyadHigh Resolution Fly’s Eye CollaborationAstropart. Phys.232005157P. Sommers, et al., Pierre Auger Collaboration, arXiv:astro-ph/0507150.R.U.AbbasiHiRes CollaborationAstrophys. J.6222005910B.N. Afanasiev, et al., Yakutsk Collaboration, in: M. Nagano (Ed.), Proceedings of the Tokyo Workshop on Techniques for the Study of the Extremely High Energy Cosmic Rays, 1993.J. Knapp, private communication.J.RanftPhys. Rev. D51199564R.S.FletcherT.K.GaisserP.LipariT.StanevPhys. Rev. D5019945710J.EngelT.K.GaisserT.StanevP.LipariPhys. Rev. D4619925013N.N.KalmykovS.S.OstapchenkoA.I.PavlovNucl. Phys. Proc. Suppl.52B19977It is important to stress that the Auger data are still at a preliminary stage and the reconstruction procedures are still to be finalised. However, even allowing for the systematic uncertainties still present, it does appear that at the highest energies fewer events are seen than expected from the AGASA analysis.V.S.BerezinskyG.T.ZatsepinPhys. Lett. B281969423F.W.SteckerAstrophys. J.2281979919R.EngelD.SeckelT.StanevPhys. Rev. D642001093010Z.FodorS.D.KatzA.RingwaldH.TuJCAP03112003015D.De MarcoT.StanevF.W.SteckerPhys. Rev. D732006043003D.HooperA.TaylorS.SarkarAstropart. Phys.23200511M.AveN.BuscaA.V.OlintoA.A.WatsonT.YamamotoAstropart. Phys.23200519A point worth noting at this juncture: If iron nuclei are accelerated to very high energies (much higher than the energy spectrum has been measured), then disintegration can lead to large numbers of protons above the spectrum cutoff. In this case, the resulting cosmogenic neutrino flux is not dramatically suppressed. On the other hand, if iron nuclei are only largely accelerated to around 10eV or less, then the liberated protons will only rarely interact with the CMB to produce pions, hence the cosmogenic neutrino flux will be significantly reduced.

Pulsed Laser Deposition of Carbide Coatings for Rolling and Sliding Contact Applications

DTIC Science & Technology

2003-03-01

C. Mfiller and R. F. Haglund, eds.) Springler-Verlag(1991), Heidelberg, p. 3 0 1 24. L. Wiedeman, and H . Helvajian , I. Appi. Phys. 70, (1991) 4513...films were tested in air (45% R/ H ) using a pin-on-disk test. We found that, in comparison to MoS2 alone, the films with added Cr, Ti and TiC all...American Ceramic Society, v. 84 pp. 672-674 (2001). 10. H . X. Ji, C. C. Amato-Wierda, "Chemical Vapor Deposition of Ti-W-C Thin Films," Surface and Coatings

Dynamic thermal expansivity of liquids near the glass transition.

PubMed

Niss, Kristine; Gundermann, Ditte; Christensen, Tage; Dyre, Jeppe C

2012-04-01

Based on previous works on polymers by Bauer et al. [Phys. Rev. E 61, 1755 (2000)], this paper describes a capacitative method for measuring the dynamical expansion coefficient of a viscous liquid. Data are presented for the glass-forming liquid tetramethyl tetraphenyl trisiloxane (DC704) in the ultraviscous regime. Compared to the method of Bauer et al., the dynamical range has been extended by making time-domain experiments and by making very small and fast temperature steps. The modeling of the experiment presented in this paper includes the situation in which the capacitor is not full because the liquid contracts when cooling from room temperature down to around the glass-transition temperature, which is relevant when measuring on a molecular liquid rather than a polymer.

Triphenylphosphine-based functional porous polymer as an efficient heterogeneous catalyst for the synthesis of cyclic carbonates from CO2

NASA Astrophysics Data System (ADS)

Wu, Siduo; Teng, Chao; Cai, Sheng; Jiang, Biwang; Wang, Yong; Meng, Hong; Tao, Huchun

2017-11-01

A novel triphenylphosphine-based porous polymer (TPDB) with a high Brunauer-Emmett-Teller (BET) surface area was synthesized through Friedel-Crafts alkylation of triphenylphosphine and α-dibromo- p-xylene. Then, the functional hydroxyl groups were successfully grafted onto the polymer framework by post modification of TPDB with 3-bromo-1-propanol (BP) and triethanolamine (TEA). The resulting sample TPDB-BP-TEA was characterized by various techniques such as FT-IR, TG, SEM, EDS mapping, ICP-MS, and N2 adsorption-desorption. This new polymer was tested as the catalyst in the solvent-free cycloaddition reaction of CO2 with epoxides, which exhibited excellent performance, with high yield, selectivity, and stable recyclability for several catalytic cycles. The comparison experiment results demonstrate that the bromide ions and hydroxyl groups, as well as high surface area, are key factors in improving the catalytic activity of this new catalyst.

Dynamic evolution of the oscillatory Belousov--Zhabotinsky reaction upon addition of a non-ionic polymer

NASA Astrophysics Data System (ADS)

Sciascia, Luciana; Lombardo, Renato; Turco Liveri, Maria Liria

2006-10-01

The dynamic evolution of the oscillatory Belousov-Zhabotinsky reaction upon addition of increasing amount of the non-ionic polymer polypropylene glycol with molecular weight 425 g mol -1 (PPG-425) was investigated in a stirred-batch reactor by monitoring the Ce(IV) absorbance changes. The oscillatory parameters are significantly altered by the presence of the polymer. The findings obtained in the present work revealed that the PPG-425 is not only more effective, than other polymer previously [R. Lombardo, C. Sbriziolo, M.L. Turco Liveri, K. Pelle, M. Wittmann, Z. Noszticzius, in: J.A. Pojman, Q. Tran-Cong-Miyata (Eds.), Nonlinear Dynamics in Polymeric Systems, American Chemical Society, Washington, DC, 869 (2004) 292] studied, in perturbing the BZ systems but also more capable of producing key radical species, which in turn can be exploited for the preparation of new polymeric materials.

Development of biodegradable metaloxide/polymer nanocomposite films based on poly-ε-caprolactone and terephthalic acid.

PubMed

Varaprasad, Kokkarachedu; Pariguana, Manuel; Raghavendra, Gownolla Malegowd; Jayaramudu, Tippabattini; Sadiku, Emmanuel Rotimi

2017-01-01

The present investigation describes the development of metal-oxide polymer nanocomposite films from biodegradable poly-ε-caprolactone, disposed poly(ethylene terephthalate) oil bottles monomer and zinc oxide-copper oxide nanoparticles. The terephthalic acid and zinc oxide-copper oxide nanoparticles were synthesized by using a temperature-dependent precipitation technique and double precipitation method, respectively. The terephthalic acid synthesized was confirmed by FTIR analysis and furthermore, it was characterized by thermal analysis. The as-prepared CuO-ZnO nanoparticles structure was confirmed by XRD analysis and its morphology was analyzed by SEM/EDS and TEM. Furthermore, the metal-oxide polymer nanocomposite films have excellent mechanical properties, with tensile strength and modulus better than pure films. The metal-oxide polymer nanocomposite films that were successfully developed show a relatively brighter colour when compared to CuO film. These new metal-oxide polymer nanocomposite films can replace many non-degradable plastics. The new metal-oxide polymer nanocomposite films developed are envisaged to be suitable for use in industrial and domestic packaging applications. Copyright © 2016 Elsevier B.V. All rights reserved.

Molecular Engineering of Azobenzene-Functionalized Polyimides to Enhance Both Photomechanical Work and Motion (POSTPRINT)

DTIC Science & Technology

2014-09-01

8520−8524. (14) Jiang, Z.; Xu, M.; Li, F.; Yu, Y. J. Am. Chem. Soc. 2013, 135, 16446−16453. (15) White, T. J.; Tabiryan, N. V .; Serak, S. V .; Hrozhyk, U...A.; Tondiglia, V . P.; Koerner, H.; Vaia, R. A.; Bunning, T. J. Soft Matter 2008, 4, 1796−1798. (16) Lee, K. M.; Wang, D. H.; Koerner, H.; Vaia, R. A...Bershtein, V . A.; Egorov, V . M.; Podolsky, A. F.; Stepanov, V . A. J. Polym. Sci., Polym. Lett. Ed. 1985, 23, 371−377. (34) Bershtein, V . A.; Rydjov

Blends of Crystallizable Polybutadiene Isomers: Compatibilization by Addition of Amorphous Diblock Copolymer

DTIC Science & Technology

1991-07-24

Fourth International Meeting. 2, 898, A. Mangini, ed., Pergamon Press, England, 1962. Morero, D., E. Mantica, and L. Porni , Nuovo Cimento. Sup~pl. 15. 10...311, 1969. Natta G., and P. Corradini, Journal of Polymer Science, 20, 251, 1956. Natta, G., L. Porni , A. Carbonaro, and G. Lugli, Makromolekulare

Preparation and characterization of hydroxyapatite/sodium alginate biocomposites for bone implant application

NASA Astrophysics Data System (ADS)

Kanasan, Nanthini; Adzila, Sharifah; Suid, Mohd Syafiq; Gurubaran, P.

2016-07-01

In biomedical fields, synthetic scaffolds are being improved by using the ceramics, polymers and composites materials to avoid the limitations of allograft. Ceramic-polymer composites are appearing to be the most successful bone graft substitute in human body. The natural bones itself are well-known as composite of collagen and hydroxyapatite. In this research, precipitation method was used to synthesis hydroxyapatite (HA)/sodium alginate (SA) in various parameters. This paper describes the hydroxyapatite/sodium alginate biocomposite which suitable for use in bone defects or regeneration of bone through the characterizations which include FTIR, FESEM, EDS and DTA. In FTIR, the characteristi peaks of PO4-3 and OH- groups which corresponding to hydroxyapatite are existed in the mixing powders. The needle-size particle of hydroxyapatite/ alginate (HA/SA) are observed in FESEM in the range of 15.8nm-38.2nm.EDS confirmed the existence of HA/SA composition in the mixing powders. There is an endothermic peak which corresponds to the dehydration and the loss of physically adsorbed water molecules of the hydroxyapatite (HA)/sodium alginate (SA) powder which are described in DTA.

Director gliding in a nematic liquid crystal layer: Quantitative comparison with experiments

NASA Astrophysics Data System (ADS)

Mema, E.; Kondic, L.; Cummings, L. J.

2018-03-01

The interaction between nematic liquid crystals and polymer-coated substrates may lead to slow reorientation of the easy axis (so-called "director gliding") when a prolonged external field is applied. We consider the experimental evidence of zenithal gliding observed by Joly et al. [Phys. Rev. E 70, 050701 (2004), 10.1103/PhysRevE.70.050701] and Buluy et al. [J. Soc. Inf. Disp. 14, 603 (2006), 10.1889/1.2235686] as well as azimuthal gliding observed by S. Faetti and P. Marianelli [Liq. Cryst. 33, 327 (2006), 10.1080/02678290500512227], and we present a simple, physically motivated model that captures the slow dynamics of gliding, both in the presence of an electric field and after the electric field is turned off. We make a quantitative comparison of our model results and the experimental data and conclude that our model explains the gliding evolution very well.

News from Online: A Spectrum of Color

NASA Astrophysics Data System (ADS)

Sweeney Judd, Carolyn

1999-06-01

Thomas Chasteen's site ( http://www.shsu.edu/~chm_tgc/sounds/sound.html) shows how to separate colors using a tuneable monochromator. This graphic comes from his monochromator animation ( http://www.shsu.edu/~chemistry/monochromator/mono.gif). Science Media's site ( http://www.scimedia.com/index.html#scimedia) includes spectroscopy tutorials by Brian Tissue. This graphic can be found at http://www.scimedia.com/chem-ed/light/graphics/em-rad.gif (©1998 B. M. Tissue, www.scimedia.com). All the colors in the rainbow! Now that is a good place to start. Go to About Rainbows ( http://www.unidata.ucar.edu/staff/blynds/rnbw.html), a tutorial from astronomer Beverly Lynds, working with the University Corporation for Atmospheric Research. The tutorial begins with a historical perspective, complete with a sketch by René Descartes in 1637. The bibliography makes this tutorial a good starting point for color exploration. About Rainbows brings you questions to explorefor example, "What happens when you look at a rainbow through dark glasses?" Try the links to these other sites. Project SkyMath: Making Mathematical Connections ( http://www.unidata.ucar.edu/staff/blynds/Skymath.html) is especially for the middle school student. Reproducible masters of these teaching modules can be printed in English and Spanish. From Project SkyMath, you can go to Blue-Skies, a user-friendly graphical interface from The Weather Underground at the University of Michigan ( http://groundhog.sprl.umich.edu/BS.html). And speaking of blue skies, look at a great site, Why is the Sky Blue at http://acept.la.asu.edu/PiN/act/sky/sky.shtml. This is a super site from the Arizona Collaborative for Excellence in the Preparation of Teachers, by the Department of Physics and Astronomy at Arizona State University. If you go to Patterns in Nature: Light and Optics at http://acept.la.asu.edu/PiN/act/activities.shtml, plan to spend some time, for it is wonderful. Another link from the About Rainbows tutorial goes to an experiment that is suitable for older students, Circles of Light--The Mathematics of Rainbows at http://www.geom.umn.edu/education/calc-init/rainbow/. Frederick J. Wicklin and Paul Edelman of the University of Minnesota note that this comprehensive lab is based on a module developed by Steven Janke. Go back to About Rainbows to link to a Java applet, allowing you to change the incident angle and color of light striking a water droplet. This great teaching device is from Fu-Kwun Hwang of the National Taiwan Normal University at http://science.kongju.ac.kr/phys/shin/experiment/ntnujava /Rainbow/rainbow.html. And while you are here in this site (choose English or Chinese), look at the more than 30 Java applets created by F.-K. Hwang at http://science.kongju.ac.kr/phys/shin/experiment/ntnujava/index.html. The interactive applet on Shadow/Image and Color is great fun, (http://science.kongju.ac.kr/phys/shin/experiment/ntnujava/shadow /shadow.html). From mixing colors, we can go to Thomas Chasteen's fine work at http://www.shsu.edu/~chm_tgc/sounds/sound.html for an animation (and movie also) of how to separate colors using a tuneable monochromator ( http://www.shsu.edu/~chemistry/monochromator/mono.gif). This colorful graphic, showing incoming parallel white light, is clipped from that monochromator animation. While you are here at this site at Sam Houston State University, look at the other great animations and movies, including a movie showing solution-phase chemiluminescence at http://www.shsu.edu/~chm_tgc/chemilumdir/movie.html. So now that we have explored the breaking down of light into its component colors, we need to also look at another process--polarizing light. Let's go to Science Media's comprehensive site ( http://www.scimedia.com/index.html#scimedia) to examine polarized light ( http://www.scimedia.com/chem-ed/spec/molec/polarim.htm). Of course, most sunglasses polarize light--bringing us back to the question of the rainbow again. Explore here for a while--appreciate the beautiful visible electromagnetic spectrum at http://www.scimedia.com/chem-ed/light/graphics/em-visib.jpg. Great spectroscopy tutorials from Brian Tissue of the Virginia Polytechnic Institute and State University are found at Science Media's site. One of my favorite graphics ( http://www.scimedia.com/chem-ed/light/graphics/em-rad.gif) reminds us of why light is electromagnetic radiation. But how to we actually see color? Go to the Access Excellence Classic Collection sponsored by Genentech, Inc. (http://www.gene.com/ae/AE/AEC/CC/). From here, go to How We See: The First Steps of Human Vision at http://www.gene.com/ae/AE/AEC/CC/vision_background.html. Here are good graphics and explanations of the roles of rod and cone cells, and lots more! And marvel a little the next time you see a rainbow. World Wide Web Addresses About Rainbows http://www.unidata.ucar.edu/staff/blynds/rnbw.html Project SkyMath: Making Mathematical Connections http://www.unidata.ucar.edu/staff/blynds/Skymath.html The Weather Underground at the University of Michigan--Blue- Skies http://groundhog.sprl.umich.edu/BS.html Why is the Sky Blue http://acept.la.asu.edu/PiN/act/sky/sky.shtml Patterns in NatureLight and Optics Activities http://acept.la.asu.edu/PiN/act/activities.shtml Circles of Lightthe Mathematics of Rainbows http://www.geom.umn.edu/education/calc-init/rainbow/ The Physics of a Rainbow http://science.kongju.ac.kr/phys/shin/experiment/ntnujava /Rainbow/rainbow.html The NTNU Virtual Physics Laboratory http://science.kongju.ac.kr/phys/shin/experiment/ntnujava /index.html Shadow/Image and Color http://science.kongju.ac.kr/phys/shin/experiment/ntnujava/shadow/shadow.html Thomas Chasteen's Chemistry-Based QuickTime Movies, Animations, and Streaming Audio http://www.shsu.edu/~chm_tgc/sounds/sound.html Tuneable Monochromator http://www.shsu.edu/~chemistry/monochromator/mono.gif The Chemiluminescence Home Page http://www.shsu.edu/~chm_tgc/chemilumdir/movie.html Science Hypermedia Home Page http://www.scimedia.com/index.html#scimedia Polarimetry http://www.scimedia.com/chem-ed/spec/molec/polarim.htm The Visible Spectrum http://www.scimedia.com/chem-ed/light/graphics/em-visib.jpg Propagation Direction of Electromagnetic Radiation http://www.scimedia.com/chem-ed/light/graphics/em-rad.gif Access Excellence Classic Collection http://www.gene.com/ae/AE/AEC/CC/ How We SeeThe First Steps of Human Vision http://www.gene.com/ae/AE/AEC/CC/vision_background.html access date for all sites: April 1999

Modeling polymer-induced interactions between two grafted surfaces: comparison between interfacial statistical associating fluid theory and self-consistent field theory.

PubMed

Jain, Shekhar; Ginzburg, Valeriy V; Jog, Prasanna; Weinhold, Jeffrey; Srivastava, Rakesh; Chapman, Walter G

2009-07-28

The interaction between two polymer grafted surfaces is important in many applications, such as nanocomposites, colloid stabilization, and polymer alloys. In our previous work [Jain et al., J. Chem. Phys. 128, 154910 (2008)], we showed that interfacial statistical associating fluid density theory (iSAFT) successfully calculates the structure of grafted polymer chains in the absence/presence of a free polymer. In the current work, we have applied this density functional theory to calculate the force of interaction between two such grafted monolayers in implicit good solvent conditions. In particular, we have considered the case where the segment sizes of the free (sigma(f)) and grafted (sigma(g)) polymers are different. The interactions between the two monolayers in the absence of the free polymer are always repulsive. However, in the presence of the free polymer, the force either can be purely repulsive or can have an attractive minimum depending upon the relative chain lengths of the free (N(f)) and grafted polymers (N(g)). The attractive minimum is observed only when the ratio alpha = N(f)/N(g) is greater than a critical value. We find that these critical values of alpha satisfy the following scaling relation: rho(g) square root(N(g)) beta(3) proportional to alpha(-lambda), where beta = sigma(f)/sigma(g) and lambda is the scaling exponent. For beta = 1 or the same segment sizes of the free and grafted polymers, this scaling relation is in agreement with those from previous theoretical studies using self-consistent field theory (SCFT). Detailed comparisons between iSAFT and SCFT are made for the structures of the monolayers and their forces of interaction. These comparisons lead to interesting implications for the modeling of nanocomposite thermodynamics.

The KP Hierarchy and Aspects of the Painlevé Property

NASA Astrophysics Data System (ADS)

Strampp, W.; Langer, C.

1990-12-01

We are concerned with the conjecture that the Painlevé property is a necessary condition for the integrability of nonlinear equations. Following a suggestion by lietratures (1) D. V. Chudnovsky, G. V. Chudnovsky and M. Tabor, Phys. Lett. 97A (1983), 268, and 2) A. K. Pogrebkov, Inverse Problems 5 (1989), L7), our investigations will be based on the Lax-pair which we use in Sato's sense (3) E. Date, M. Jimbo, M. Kashiwara and T. Miwa in Nonlinear Integrable Systems-Classical and Quantum Theory, ed. M. Jimbo and T. Miwa (World Scientific, Singapore, 1983), p. 39, 4) M. Jimbo and T. Miwa, Publ. RIMS, Kyoto Univ. 19 (1983), 943, 5) Y. Ohta, J. Satsuma, D. Takahashi and T. Tokihiro, Prog. Theor. Phys. Suppl. No. 94 (1988), 210). Leading orders, branch points and resonances are described for the Zakharov-Shabat equations of the KP-hierarchy. The symbolic manipulation system REDUCE, in particular its factorization algorithm for polynomials, is employed for finding the resonances. It is shown that the Painlevé structures of various nonlinear equations, which have been discussed a lot in the literature, follow from our results.

Emulsion-Based RIR-MAPLE Deposition of Conjugated Polymers: Primary Solvent Effect and Its Implications on Organic Solar Cell Performance.

PubMed

Ge, Wangyao; Li, Nan K; McCormick, Ryan D; Lichtenberg, Eli; Yingling, Yaroslava G; Stiff-Roberts, Adrienne D

2016-08-03

Emulsion-based, resonant infrared matrix-assisted pulsed laser evaporation (RIR-MAPLE) has been demonstrated as an alternative technique to deposit conjugated polymer films for photovoltaic applications; yet, a fundamental understanding of how the emulsion target characteristics translate into film properties and solar cell performance is unclear. Such understanding is crucial to enable the rational improvement of organic solar cell (OSC) efficiency and to realize the expected advantages of emulsion-based RIR-MAPLE for OSC fabrication. In this paper, the effect of the primary solvent used in the emulsion target is studied, both experimentally and theoretically, and it is found to determine the conjugated polymer cluster size in the emulsion as well as surface roughness and internal morphology of resulting polymer films. By using a primary solvent with low solubility-in-water and low vapor pressure, the surface roughness of deposited P3HT and PCPDTBT polymer films was reduced to 10 nm, and the efficiency of P3HT:PC61BM OSCs was increased to 3.2% (∼100 times higher compared to the first MAPLE OSC demonstration [ Caricato , A. P. ; Appl. Phys. Lett. 2012 , 100 , 073306 ]). This work unveils the mechanism of polymer film formation using emulsion-based RIR-MAPLE and provides insight and direction to determine the best ways to take advantage of the emulsion target approach to control film properties for different applications.

Heat conduction in chain polymer liquids: molecular dynamics study on the contributions of inter- and intramolecular energy transfer.

PubMed

Ohara, Taku; Yuan, Tan Chia; Torii, Daichi; Kikugawa, Gota; Kosugi, Naohiro

2011-07-21

In this paper, the molecular mechanisms which determine the thermal conductivity of long chain polymer liquids are discussed, based on the results observed in molecular dynamics simulations. Linear n-alkanes, which are typical polymer molecules, were chosen as the target of our studies. Non-equilibrium molecular dynamics simulations of bulk liquid n-alkanes under a constant temperature gradient were performed. Saturated liquids of n-alkanes with six different chain lengths were examined at the same reduced temperature (0.7T(c)), and the contributions of inter- and intramolecular energy transfer to heat conduction flux, which were identified as components of heat flux by the authors' previous study [J. Chem. Phys. 128, 044504 (2008)], were observed. The present study compared n-alkane liquids with various molecular lengths at the same reduced temperature and corresponding saturated densities, and found that the contribution of intramolecular energy transfer to the total heat flux, relative to that of intermolecular energy transfer, increased with the molecular length. The study revealed that in long chain polymer liquids, thermal energy is mainly transferred in the space along the stiff intramolecular bonds. This finding implies a connection between anisotropic thermal conductivity and the orientation of molecules in various organized structures with long polymer molecules aligned in a certain direction, which includes confined polymer liquids and self-organized structures such as membranes of amphiphilic molecules in water.

Pattering of nanostructures with high aspect ratio in polymer materials

NASA Astrophysics Data System (ADS)

Lyuksyutov, Sergei; Paramonov, Pavel; Sancaktar, Erol; Vaia, Richard; Juhl, Shane

2004-04-01

The generation of features larger than the initial atomic force microscope (AFM) tip-surface distance (presumably less that 1nm for unbiased tip) had previously been reported for silicon and metal oxidation. Such nanostructure (1-50 nm high) formation exceeding AFM tip-sample separation has been observed by us during AFM-assisted nanolithography in polymers [1,2]. The technique produces nanostructures up to 100 nm high in thin (10-30 nm) polymer films through the one-step process. The specific spatial details of the tip-surface contact profile, as well as cantilever motion, with applied bias during writing is not well understood and we are not aware of any comprehensive explanation provided in literature for this effect. In this work we analyze tip-polymer interaction using real-time tip deflection. An abrupt lift-up of biased AFM tip has been recorded experimentally and found to be proportional to the height of polymer nanostructures. This fact was used to pattern robust nanostructures of 20-100 nm high using amplitude modulated AFM-assisted electrostatic nanolithography [2] as the arrays of dots in polystyrene and polybenzoxasole polymer films. References [1] S.F. Lyuksyutov, R.A. Vaia, P.B. Paramonov, S. Juhl, L. Waterhouse, R.M. Ralich, G. Sigalov, and E. Sancaktar, Nature Materials 2(7) 468-472 (2003) [2] S.F. Lyuksyutov, R.A. Vaia, P.B. Paramonov, and S. Juhl, Appl. Phys. Lett. 83 (21), 4405-4407 (2003)

Turbulence and turbulent drag reduction in swirling flow: Inertial versus viscous forcing.

PubMed

Burnishev, Yuri; Steinberg, Victor

2015-08-01

We report unexpected results of a drastic difference in the transition to fully developed turbulent and turbulent drag reduction (TDR) regimes and in their properties in a von Karman swirling flow with counter-rotating disks of water-based polymer solutions for viscous (by smooth disks) as well as inertial (by bladed disks) forcing and by tracking just torque Γ(t) and pressure p(t) . For the viscous forcing, just a single TDR regime is found with the transition values of the Reynolds number (Re) Re turb c =Re TDR c ≃(4.8±0.2)×10(5) independent of ϕ , whereas for the inertial forcing two turbulent regimes are revealed. The first transition is to fully developed turbulence, and the second one is to the TDR regime with both Re turb c and Re TDR c depending on polymer concentration ϕ . Both regimes differ by the values of C f and C p , by the scaling exponents of the fundamental turbulent characteristics, by the nonmonotonic dependencies of skewness and flatness of the pressure PDFs on Re, and by the different frequency power spectra of p with the different dependencies of the main vortex peak frequency in the p power spectra on ϕ and Re. Thus our experimental results show the transition to the TDR regime in a von Karman swirling flow for the viscous and inertial forcings in a sharp contrast to the recent experiments [Phys. Fluids 10, 426 (1998); Phys. Rev. E 47, R28(R) (1993); and J. Phys.: Condens. Matter 17, S1195 (2005)] where the transition to TDR is observed in the same swirling flow with counter-rotating disks only for the viscous forcing. The latter result has led its authors to the wrong conclusion that TDR is a solely boundary effect contrary to the inertial forcing associated with the bulk effect, and this conception is currently rather widely accepted in literature.

Vibration-rotation-translation spectrum of molecular hydrogen in fullerite lattices around 80 K

NASA Astrophysics Data System (ADS)

Herman, Roger M.; Lewis, John Courtenay

2009-05-01

Calculations are presented for the fundamental vibration-rotation spectrum of H2 in fcc C60 (fullerite) lattices near 80 K using the approach and the parameters used by Herman and Lewis [Phys. Rev. B 73 (2006) 155408; in: E. Oks, M. Pindzola (Eds.) Spectral Line Shapes, AIP Conference Proceedings, No. 874, American Institute of Physics, 2006, pp. 162-176 (Proceedings of the 18th ICSLS)] at 293 K. Good agreement is found with recent DRIFT spectra of FitzGerald et al. [Personal communication, 2006]. It is argued that our approach cannot be extended to the 10 K spectrum without significant modification.

Porous fiber formation in polymer-solvent system undergoing solvent evaporation

NASA Astrophysics Data System (ADS)

Dayal, Pratyush; Kyu, Thein

2006-08-01

Temporal evolution of the fiber morphology during dry spinning has been investigated in the framework of Cahn-Hilliard equation [J. Chem. Phys. 28, 258 (1958)] pertaining to the concentration order parameter or volume fraction given by the Flory-Huggins free energy of mixing [P. J. Flory, Principles of Polymer Chemistry (Cornell University Press, Ithaca, NY, 1953), p. 672] in conjunction with the solvent evaporation rate. To guide the solvent evaporation induced phase separation, equilibrium phase diagram of the starting polymer solution was established on the basis of the Flory-Huggins free energy of mixing. The quasi-steady-state approximation has been adopted to account for the nonconserved nature of the concentration field caused by the solvent loss. The process of solvent evaporation across the fiber skin-air interface was treated in accordance with the classical Fick's law [R. B. Bird et al., Transport Phenomena (J. Wiley, New York, 1960), p. 780]. The simulated morphologies include gradient type, hollow fiber type, bicontinuous type, and host-guest type. The development of these diverse fiber morphologies is explicable in terms of the phase diagram of the polymer solution in a manner dependent on the competition between the phase separation dynamics and rate of solvent evaporation.

Synchronously Pumped Optical Parametric Oscillator with Intracavity Difference Frequency Mixing

DTIC Science & Technology

1998-06-29

Phys. B, vol. 63, no. 5, pp. 437-441, 1996. [11] T. Töpfer, K. P. Petrov, Y. Mine, L. E. Myers, and R. W. Wallace , "Room- temperature midinfrared...generation in diazo-dye-substitured polymer channel waveguides," IEEE J. of Quant. Electron., vol. 33, no. 3, pp. 349-357, 1997. [56] A. Szilagyi ...periodically poled lithium- niobate," Opt. Lett, vol. 23, no. 9, pp. 664-666, 1998. [119] W. R. Bosenberg, J. I. Alexander, L. E. Myers, and R. W. Wallace

Size Dependent Mechanical Behavior of Free-Standing Glassy Polymer Thin Films

DTIC Science & Technology

2014-08-31

thickness is less than 20 ( ) 1 ( / ) bulk film E EE h hδ = + 14 nm using the liquid dewetting method. Additionally, earlier studies by McKenna’s group and...coated substrates: Rupture, dewetting , and drop formation. J. Colloid Interface Sci. 178(2), 383 (1996). 8. C.B. Roth and J.R. Dutcher: Glass transition...Phys. J. E. 20(2), 143 (2006). 31. J. Wang and G.B. McKenna: Viscoelastic and Glass Transition Properties of Ultrathin Polystyrene Films by Dewetting

Model Filled Polymers. 6. Determination of the Crosslink Density of Polymeric Beads by Swelling

DTIC Science & Technology

1990-08-22

7 References [1] M. Mooney , J. AppI. Phys., 11, 582 (1940). [2] R. S. Rivlin , and D. W. Sanders, Trans. Faraday Soc., 48, 200 (1952). [31 P. J. Flory...microbeads ranging in diameter from 0.2 to 1 p were prepared by emulsion polymerization in the absence of emulsifier [23]. Polytetrafluorethylene ( PTFE ...density of polymethyl methacrylate is 1.17 g/cm3 [201. Swelling A PTFE ultrafiltration membrane is weighed and inserted in a concave configuration

Ionic liquids as lubricants of metal-polymer contacts. Preparation and properties of the first dispersions of ionic liquids and nanoparticles in polymers

NASA Astrophysics Data System (ADS)

Sanes Molina, Jose

Room-temperature ionic liquids (ILs) are high performance fluids that stand out because of a wide range of functional properties and exhibit a great potential for engineering applications. Although they have been employed as lubricants in metal-metal, metal-ceramic and ceramic-ceramic contacts, in this thesis we present the first study about the use of ILs as pure lubricants in polymer/steel contacts. The tests have established the efficacy of the ILs to reduce friction coefficient and wear rates in a variety of kinds of contacts, and criogenic to high temperature performance. Novel dispersions of ILs in polymers have been obtained with epoxy resin and thermoplastics as matrix. Therefore, the thermal, mechanical and tribological properties of the materials have studied and are discussed in the present thesis. Furthermore, the contents of ILs in the polymer matrix have been studied in relation to the tribological properties using Scanning Electron Microscopy (SEM) and Energy Dispersive X-Ray Spectrometry (EDS), the wear mechanisms that operated in the contacts were established. The novel dispersions showed a reduction in the friction coefficient and wear in comparison with neat polymers, reaching in some cases a decrease of 79%. In the case of thermoplastics such as polystyrene and polyamide 6, the new dispersions showed a reduction in friction coefficient and wear in the same range as that of the ILs when used as external lubricants in the steel/polymer contact. In addition nanoparticles of zinc oxide were used to obtain polycarbonate based nanohybrids with the purpose of improving the tribological properties. Novel nanohybrids of zinc oxide and modified zinc oxide were obtained. The mechanical, thermal and tribological properties were studied. The results of experiments clearly demonstrated that the use of ILs modifies the shape and size of the ZnO nanoparticles, increasing the tribological properties of the novel nanohybrids. Different techniques such as EDS, Transmission Electron Microscopy (TEM), X-Ray Diffraction (XRD) and X-Ray Photoelectron Spectrometry (XPS) were used to examine and establish the surface interactions and mechanism that operated between ILs and ZnO. In summary, the results reveal the importance of the processing parameters on the stability of the nature of the anion in the ILs.

Thermal and Mechanical Characteristics of Polymer Composites Based on Epoxy Resin, Aluminium Nanopowders and Boric Acid

NASA Astrophysics Data System (ADS)

Nazarenko, O. B.; Melnikova, T. V.; Visakh, P. M.

2016-01-01

The epoxy polymers are characterized by low thermal stability and high flammability. Nanoparticles are considered to be effective fillers of polymer composites for improving their thermal and functional properties. In this work, the epoxy composites were prepared using epoxy resin ED-20, polyethylene polyamine as a hardener, aluminum nanopowder and boric acid fine powder as flame-retardant filler. The thermal characteristics of the obtained samples were studied using thermogravimetric analysis and differential scanning calorimetry. The mechanical characteristics of epoxy composites were also studied. It was found that an addition of all fillers enhances the thermal stability and mechanical characteristics of the epoxy composites. The best thermal stability showed the epoxy composite filled with boric acid. The highest flexural properties showed the epoxy composite based on the combination of boric acid and aluminum nanopowder.

Synthesis and characterization of Ag@polycarbazole coaxial nanocables and their enhanced dispersion behavior

NASA Astrophysics Data System (ADS)

Zahoor, Ahmad; Teng, Qiu; Wang, Haiqiao; Choudhry, M. A.; Li, Xiaoyu

2011-06-01

Ag@polycarbazole coaxial nanocables (CNCs) have been successfully fabricated by the oxidative polymerization of carbazole over Ag nanowires (NWs) in acetonitrile. The morphology of Ag NWs and CNCs was studied by employing a transmission electron microscope (TEM) and a scanning electron microscope (SEM), which showed them to be a monodisperse material. The thickness of the polymer sheath was found to be 5 nm to 8 nm by observation under a high-resolution transmission electron microscope (HR-TEM). Energy dispersive X-ray spectroscopy (EDS), FT-IR and Raman measurements were used to characterize the polymer sheath, which demonstrated it to be a carbon material in polycarbazole form. X-ray photoelectron spectroscopy (XPS) was used for an interfacial study, which revealed that Ag surface atoms remained intact during polymer growth. In the end, zeta potential showed that the dispersion stability of Ag NWs increased due to polymer encapsulation, which is significant to obtain a particular alignment for anisotropic measurement of electrical conductivity.

Preparation of sildenafil citrate microcapsules and in vitro/in vivo evaluation of taste masking efficiency.

PubMed

Yi, Eun-Jin; Kim, Ju-Young; Rhee, Yun-Seok; Kim, Su-Hyeon; Lee, Hyo-Joong; Park, Chun-Woong; Park, Eun-Seok

2014-05-15

The aim of the present study was to prepare the particulate taste-masking system to mask the bitter taste of sildenafil citrate (SC), a well-known phosphodiesterase-5 inhibitor used for erectile dysfunction (ED) and pulmonary artery hypertension (PAH). It was evaluated for the taste masking efficiency by the in vitro measurement using electronic tongue (e-tongue) system and the in vivo human panel sensory test. Microcapsules were prepared by microencapsulation with a gastro-soluble polymer, Eudragit(®) E100 (E100), using a spray drying technique at four different weight ratios (2:1, 1:1, 1:2, and 1:3). Characters of prepared microcapsules and the effect of polymer ratio on the taste masking were investigated. The particle morphology and the distribution of SC in microcapsules were observed by SEM-EDS and physical properties were evaluated by PXRD, Raman spectroscopy, and DSC. By drug dissolution studies at pH 1.2 buffer and DW, it was found that E100 was not able to alter the drug release in stomach. As the result of taste evaluation studies, there were a good correlation (R(2)=0.9867) between the weight ratio of polymer and the taste masking efficiency expressed in the distances on the PCA map of the e-tongue data, and a relevance of the e-tongue measurement with the result of sensory test. Copyright © 2014. Published by Elsevier B.V.

EDITORIAL: Annual prizes for best papers

NASA Astrophysics Data System (ADS)

2007-07-01

2006 Roberts Prize The publishers of Physics in Medicine and Biology (PMB) in association with the Institute of Physics and Engineering in Medicine (IPEM) jointly award an annual prize for an article published in PMB during the previous year. The following ten articles, listed below in chronological order, were rated the best of 2006 based on the (two or three) referees' assessments: D W Mundy et al 2006 Radiation binary targeted therapy for HER-2 positive breast cancers: assumptions, theoretical assessment and future directions Phys. Med. Biol. 51 1377-91 Y Yang et al 2006 Investigation of optical coherence tomography as an imaging modality in tissue engineering Phys. Med. Biol. 51 1649-59 M Krämer and M Scholz 2006 Rapid calculation of biological effects in ion radiotherapy Phys. Med. Biol. 51 1959-70 P Crespo et al 2006 On the detector arrangement for in-beam PET for hadron therapy monitoring Phys. Med. Biol. 51 2143-63 R J Senden et al 2006 Polymer gel dosimeters with reduced toxicity: a preliminary investigation of the NMR and optical dose-response using different monomers Phys. Med. Biol. 51 3301-14 J Wang et al 2006 FDTD calculation of whole-body average SAR in adult and child models for frequencies from 30 MHz to 3 GHz Phys. Med. Biol. 51 4119-27 C A T Van den Berg et al 2006 The use of MR B+1 imaging for validation of FDTD electromagnetic simulations of human anatomies Phys. Med. Biol. 51 4735-46 S Qin and K W Ferrara 2006 Acoustic response of compliable microvessels containing ultrasound contrast agents Phys. Med. Biol. 51 5065-88 R Kramer et al 2006 Skeletal dosimetry in the MAX06 and the FAX06 phantoms for external exposure to photons based on vertebral 3D-microCT images Phys. Med. Biol. 51 6265-89 R Leiderman et al 2006 Coupling between elastic strain and interstitial fluid flow: ramifications for poroelastic imaging Phys. Med. Biol. 51 6291-313 An IPEM college of jurors then assessed and rated these papers in order to choose a winner. We have much pleasure in advising readers that the 2006 Roberts Prize is awarded to: M Krämer and M Scholz 2006 Rapid calculation of biological effects in ion radiotherapy Phys. Med. Biol. 51 1959-70 2007 Prize for the Highest Cited Paper The annual prize for the most highly cited paper is awarded by the journal publishers (IOP Publishing) to the article published in PMB that has received the most citations1 in the previous 5 years (in this case for the period 2002 to 2006 inclusive). We have much pleasure in advising readers that the 2007 prize is awarded to: S S Vedam, P J Keall, V R Kini, H Mostafavi, H P Shukla and R Mohan 2003 Acquiring a four-dimensional computed tomography dataset using an external respiratory signal Phys. Med. Biol. 48 45-62 Simon Harris, Publisher Steve Webb, Editor-in-Chief 1 Figures taken from Thomson/ISI

Wigner molecules in carbon-nanotube quantum dots

NASA Astrophysics Data System (ADS)

Rontani, Massimo; Secchi, Andrea

2010-03-01

The paradigm of few-electron complexes in quantum dots (QDs) relies on the ``particle-in-a-box'' idea that lowest-energy orbitals are filled according to Pauli's exclusion principle. If Coulomb repulsion is sufficiently strong to overcome the kinetic energy cost of localization, a different scenario is predicted: a ``Wigner'' molecule (WM) forms, made of electrons frozen in space according to a geometrical pattern. Despite considerable experimental effort, evidence of the WM in semiconductor QDs has been elusive so far. Here we demonstrate theoretically that WMs occur in gate-defined QDs embedded in typical semiconducting carbon nanotubes (CNTs). Their signatures must be searched ---and indeed have already been observed [Deshpande and Bockrath, Nature Phys. 4, 314 (2008)] --- in tunneling spectra. Through exact diagonalisation (ED) calculations, we unveil the inherent features of the electron molecular states. We show that, like nuclei in a usual molecule, electrons have localized wave functions and hence negligible exchange interactions. The molecular excitations are vibrations around the equilibrium positions of electrons. ED results are well reproduced by an ansatz vibrational wave function, which provides a simple theoretical model for transport experiments in ultraclean CNTs.

Photoinduced Electron Transfer in the Strong Coupling Regime: Waveguide-Plasmon Polaritons.

PubMed

Zeng, Peng; Cadusch, Jasper; Chakraborty, Debadi; Smith, Trevor A; Roberts, Ann; Sader, John E; Davis, Timothy J; Gómez, Daniel E

2016-04-13

Reversible exchange of photons between a material and an optical cavity can lead to the formation of hybrid light-matter states where material properties such as the work function [ Hutchison et al. Adv. Mater. 2013 , 25 , 2481 - 2485 ], chemical reactivity [ Hutchison et al. Angew. Chem., Int. Ed. 2012 , 51 , 1592 - 1596 ], ultrafast energy relaxation [ Salomon et al. Angew. Chem., Int. Ed. 2009 , 48 , 8748 - 8751 ; Gomez et al. J. Phys. Chem. B 2013 , 117 , 4340 - 4346 ], and electrical conductivity [ Orgiu et al. Nat. Mater. 2015 , 14 , 1123 - 1129 ] of matter differ significantly to those of the same material in the absence of strong interactions with the electromagnetic fields. Here we show that strong light-matter coupling between confined photons on a semiconductor waveguide and localized plasmon resonances on metal nanowires modifies the efficiency of the photoinduced charge-transfer rate of plasmonic derived (hot) electrons into accepting states in the semiconductor material. Ultrafast spectroscopy measurements reveal a strong correlation between the amplitude of the transient signals, attributed to electrons residing in the semiconductor and the hybridization of waveguide and plasmon excitations.

Applicability of mode-coupling theory to polyisobutylene: a molecular dynamics simulation study.

PubMed

Khairy, Y; Alvarez, F; Arbe, A; Colmenero, J

2013-10-01

The applicability of Mode Coupling Theory (MCT) to the glass-forming polymer polyisobutylene (PIB) has been explored by using fully atomistic molecular dynamics simulations. MCT predictions for the so-called asymptotic regime have been successfully tested on the dynamic structure factor and the self-correlation function of PIB main-chain carbons calculated from the simulated cell. The factorization theorem and the time-temperature superposition principle are satisfied. A consistent fitting procedure of the simulation data to the MCT asymptotic power-laws predicted for the α-relaxation regime has delivered the dynamic exponents of the theory-in particular, the exponent parameter λ-the critical non-ergodicity parameters, and the critical temperature T(c). The obtained values of λ and T(c) agree, within the uncertainties involved in both studies, with those deduced from depolarized light scattering experiments [A. Kisliuk et al., J. Polym. Sci. Part B: Polym. Phys. 38, 2785 (2000)]. Both, λ and T(c)/T(g) values found for PIB are unusually large with respect to those commonly obtained in low molecular weight systems. Moreover, the high T(c)/T(g) value is compatible with a certain correlation of this parameter with the fragility in Angell's classification. Conversely, the value of λ is close to that reported for real polymers, simulated "realistic" polymers and simple polymer models with intramolecular barriers. In the framework of the MCT, such finding should be the signature of two different mechanisms for the glass-transition in real polymers: intermolecular packing and intramolecular barriers combined with chain connectivity.

Molecular dynamics simulation of polymer electrolytes based on poly(ethylene oxide) and ionic liquids. II. Dynamical properties.

PubMed

Costa, Luciano T; Ribeiro, Mauro C C

2007-10-28

Dynamical properties of polymer electrolytes based on poly(ethylene oxide) (PEO) and ionic liquids of 1-alkyl-3-methylimidazolium cations were calculated by molecular dynamics simulations with previously proposed models [L. T. Costa and M. C. Ribeiro, J. Chem. Phys. 124, 184902 (2006)]. The effect of changing the ionic liquid concentration, temperature, and the 1-alkyl-chain lengths, [1,3-dimethylimidazolium]PF(6) and [1-butyl-3-methylimidazolium]PF(6) ([dmim]PF(6) and [bmim]PF(6)), was investigated. Cation diffusion coefficient is higher than those of anion and oxygen atoms of PEO chains. Ionic mobility in PEO[bmim]PF(6) is higher than in PEO[dmim]PF(6), so that the ionic conductivity kappa of the former is approximately ten times larger than the latter. The ratio between kappa and its estimate from the Nernst-Einstein equation kappa/kappa(NE), which is inversely proportional to the strength of ion pairs, is higher in ionic liquid polymer electrolytes than in polymer electrolytes based on inorganic salts with Li(+) cations. Calculated time correlation functions corroborate previous evidence from the analysis of equilibrium structure that the ion pairs in ionic liquid polymer electrolytes are relatively weak. Structural relaxation at distinct spatial scales is revealed by the calculation of the intermediate scattering function at different wavevectors. These data are reproduced with stretched exponential functions, so that temperature and wavevector dependences of best fit parameters can be compared with corresponding results for polymer electrolytes containing simpler ions.

Bead-bead interaction parameters in dissipative particle dynamics: Relation to bead-size, solubility parameter, and surface tension

NASA Astrophysics Data System (ADS)

Maiti, Amitesh; McGrother, Simon

2004-01-01

Dissipative particle dynamics (DPD) is a mesoscale modeling method for simulating equilibrium and dynamical properties of polymers in solution. The basic idea has been around for several decades in the form of bead-spring models. A few years ago, Groot and Warren [J. Chem. Phys. 107, 4423 (1997)] established an important link between DPD and the Flory-Huggins χ-parameter theory for polymer solutions. We revisit the Groot-Warren theory and investigate the DPD interaction parameters as a function of bead size. In particular, we show a consistent scheme of computing the interfacial tension in a segregated binary mixture. Results for three systems chosen for illustration are in excellent agreement with experimental results. This opens the door for determining DPD interactions using interfacial tension as a fitting parameter.

Molecular-dynamics simulations of thin films with a free surface

NASA Astrophysics Data System (ADS)

Peter, Simone; Meyer, Hendrik; Baschnagel, Joerg

2007-03-01

We present results [1,2] from molecular-dynamics simulations for a model of non-entangled short polymer chains in a free standing and a supported film geometry. We investigate the influence of confinement on static and dynamic properties of the melt. We find that the relaxation at the surfaces is faster in comparison to the bulk. We perform a layer-resolved analysis of the dynamics and show that it is possible to associate a gradient in critical temperatures Tc(y) with the gradient in the relaxation dynamics. This finding is in qualitative agreement with experimental results on supported polystyrene (PS) films [Ellison et al, Nat. Mater. 2, 695 (2003)]. Furthermore we show that the y-dependence of Tc(y) can be expressed in terms of the depression of Tc(h), the global Tc for a film of thickness h, if we assume that Tc(h) is the arithmetic mean of Tc(y) and parameterize the depression of Tc(h) by Tc(h)=Tc/(1+h0/h), a formula suggested by Herminghaus et al [Eur. Phys. J E 5, 531 (2001)] for the reduction of the glass transition temperature in supported PS films. We demonstrate the validity of this formula by comparing our simulation results to results from other simulations and experiments. [1] S. Peter, H. Meyer and J. Baschnagel, J. Polym. Sci. B, 44, 2951 (2006) [2] S. Peter, H. Meyer, J. Baschnagel and R, Seemann, J. Phys: Condens. Matter (2007)

Influence of polymer additives on turbulence in von Karman swirling flow between two disks. II

NASA Astrophysics Data System (ADS)

Burnishev, Yuri; Steinberg, Victor

2016-03-01

We present the experimental studies of the influence of polymer additives on the statistical and scaling properties of the fully developed turbulent regime in a von Karman swirling flow driven either by the smooth or bladed disks using only the global measurements of torque Γ and pressure p fluctuations in water- and water-sugar-based solutions of different viscosities, or elasticity El, and different polymer concentrations ϕ as a function of Re in the same apparatus. There are three highlights achieved and reported in the paper: (i) An observation of turbulent drag reduction (TDR) at both the inertial and viscous flow forcing, in a contradiction to a currently accepted opinion that only the viscous forcing leads to TDR, and the unexpected drastic difference in the transition to the fully developed turbulent and TDR regimes in von Karman swirling flow of water-based polymer solutions depending on the way of the forcing; (ii) a continuous transition to TDR in both the normalized torque drop and the rms pressure fluctuations drop and universality in scaling behavior of Cf in an agreement with theoretical predictions; and (iii) the dramatic differences in the appearance of the frequency power spectra of Γ and in particular p due to the different ways of the forcing are also observed. We discuss and summarize further the results in accordance with these three main achievements. The main message of these studies is that both the inertial forcing and viscous forcing of von Karman swirling flow between two counter-rotating disks lead to TDR in the sharp contrast to the currently accepted opinion [O. Cadot et al., "Turbulent drag reduction in a closed flow system: Boundary layer versus bulk effects," Phys. Fluids 10, 426 (1998); D. Bonn et al., "From scale scales to large scales in three-dimensional turbulence: The effect of diluted polymers," Phys. Rev. E 47, R28 (1993); and D. Bonn et al., "Turbulent drag reduction by polymers," J. Phys.: Condens. Matter 17, S1195 (2005)] that TDR can be observed only at the viscous driving. In this observation, Cadot et al. and Bonn et al., relate to exclusively boundary effect, whereas the existence of TDR in both ways of the flow forcing suggests that both boundary and bulk effects are responsible for TDR. The unexpected result of the striking difference in the transition to the fully developed turbulent and TDR regimes and in their properties in von Karman swirling flow of water-based polymer solutions for the viscous and inertial forcing is reported. For the viscous forcing, just the single turbulent regime is found with the transition values R ec turb = R ec T D R ≃ ( 4 . 8 ± 0 . 2 ) × 1 0 5 independent of polymer concentration ϕ, while for the inertial forcing two turbulent regimes are revealed: fully developed turbulence and the TDR regime with the transition values R ec turb < R ec T D R and both depending on ϕ. Thus in the case of the viscous forcing, the onset to turbulence is not altered by the addition of polymers in the contrast to the inertial forcing, where early turbulence is found. Both regimes differ by the scaling exponents of the fundamental turbulent characteristics, by the dependence of skewness and flatness of probability density functions of p on Re, and by the drastically different frequency power spectra of Γ and p with the different dependencies of their frequency peaks on ϕ. It is also demonstrated that the transition to the TDR state is a continuous one for both Γ ¯ and prms in accord with theoretical arguments and simulations presented in the work of Boffetta et al. ["Drag reduction in the turbulent Kolmogorov flow," Phys. Rev. E 71, 036307 (2005)]. Indeed, Cf presented as a function of R e / R ec T D R for different El show impressive collapse of the data and universal behavior above Rc T D R with the functional dependencies in a full agreement with the prediction from the numerical simulations (Boffetta et al.). Moreover, the crucial issue for the existence of TDR followed from the analysis of stresses in the TDR model is also satisfied in the experiment (Boffetta et al.). As pointed out in the work of Boffetta et al., understanding the reasons of this inequality meaning that the larger effectiveness of the momentum transfer to velocity fluctuations than to elastic stress would reveal the TDR physical mechanism. The power spectra of both Γ and p in the case of the inertial forcing are characterized by the emerging pronounced peaks and their higher harmonics in parallel with up to two orders of magnitude reduction of low frequency fluctuation amplitudes in both the water- and water-sugar-based polymer solutions compared with the power spectra for the Newtonian solvents. The peaks appear at R e ≥ R ec T D R and their normalized peak frequency fp/frot = 0.43 ± 0.02 is independent of El, ϕ, and Re. These observations agree with the numerical results, where the enhancement of the main flow compared to the Newtonian case and the strong reduction of turbulent fluctuations were also observed and quantified. On the other hand, in the case of the viscous forcing, polymers do not alter the appearance of the power spectra of p compared with water, though the scaled peak frequencies fp/frot vary with Re for all ϕ from unity at smaller Re to fp/frot = 0.6 ± 0.02 independent of ϕ and Re in the turbulent regime. Thus the inertial forcing turns out to be much more effective in the pumping energy from turbulent fluctuations into the main vortex due to stronger polymer stretching in the TDR regime that also reveals in more pronounced TDR. We suggest an explanation of the observed effects.

Track structure of protons and other light ions in liquid water: applications of the LIonTrack code at the nanometer scale.

PubMed

Bäckström, G; Galassi, M E; Tilly, N; Ahnesjö, A; Fernández-Varea, J M

2013-06-01

The LIonTrack (Light Ion Track) Monte Carlo (MC) code for the simulation of H(+), He(2+), and other light ions in liquid water is presented together with the results of a novel investigation of energy-deposition site properties from single ion tracks. The continuum distorted-wave formalism with the eikonal initial state approximation (CDW-EIS) is employed to generate the initial energy and angle of the electrons emitted in ionizing collisions of the ions with H2O molecules. The model of Dingfelder et al. ["Electron inelastic-scattering cross sections in liquid water," Radiat. Phys. Chem. 53, 1-18 (1998); "Comparisons of calculations with PARTRAC and NOREC: Transport of electrons in liquid water," Radiat. Res. 169, 584-594 (2008)] is linked to the general-purpose MC code PENELOPE/penEasy to simulate the inelastic interactions of the secondary electrons in liquid water. In this way, the extended PENELOPE/penEasy code may provide an improved description of the 3D distribution of energy deposits (EDs), making it suitable for applications at the micrometer and nanometer scales. Single-ionization cross sections calculated with the ab initio CDW-EIS formalism are compared to available experimental values, some of them reported very recently, and the theoretical electronic stopping powers are benchmarked against those recommended by the ICRU. The authors also analyze distinct aspects of the spatial patterns of EDs, such as the frequency of nearest-neighbor distances for various radiation qualities, and the variation of the mean specific energy imparted in nanoscopic targets located around the track. For 1 MeV/u particles, the C(6+) ions generate about 15 times more clusters of six EDs within an ED distance of 3 nm than H(+). On average clusters of two to three EDs for 1 MeV/u H(+) and clusters of four to five EDs for 1 MeV/u C(6+) could be expected for a modeling double strand break distance of 3.4 nm.

Creation of hydrophilic nitric oxide releasing polymers via plasma surface modification.

PubMed

Pegalajar-Jurado, A; Joslin, J M; Hawker, M J; Reynolds, M M; Fisher, E R

2014-08-13

Herein, we describe the surface modification of an S-nitrosated polymer derivative via H2O plasma treatment, resulting in polymer coatings that maintained their nitric oxide (NO) releasing capabilities, but exhibited dramatic changes in surface wettability. The poly(lactic-co-glycolic acid)-based hydrophobic polymer was nitrosated to achieve a material capable of releasing the therapeutic agent NO. The NO-loaded films were subjected to low-temperature H2O plasma treatments, where the treatment power (20-50 W) and time (1-5 min) were varied. The plasma treated polymer films were superhydrophilic (water droplet spread completely in <100 ms), yet retained 90% of their initial S-nitrosothiol content. Under thermal conditions, NO release profiles were identical to controls. Under buffer soak conditions, the NO release profile was slightly lowered for the plasma-treated materials; however, they still result in physiologically relevant NO fluxes. XPS, SEM-EDS, and ATR-IR characterization suggests the plasma treatment resulted in polymer rearrangement and implantation of hydroxyl and carbonyl functional groups. Plasma treated samples maintained both hydrophilic surface properties and NO release profiles after storage at -18 °C for at least 10 days, demonstrating the surface modification and NO release capabilities are stable over time. The ability to tune polymer surface properties while maintaining bulk properties and NO release properties, and the stability of those properties under refrigerated conditions, represents a unique approach toward creating enhanced therapeutic biopolymers.

Coulomb crystallization in classical and quantum systems

NASA Astrophysics Data System (ADS)

Bonitz, Michael

2007-11-01

Coulomb crystallization occurs in one-component plasmas when the average interaction energy exceeds the kinetic energy by about two orders of magnitude. A simple road to reach such strong coupling consists in using external confinement potentials the strength of which controls the density. This has been succsessfully realized with ions in traps and storage rings and also in dusty plasma. Recently a three-dimensional spherical confinement could be created [1] which allows to produce spherical dust crystals containing concentric shells. I will give an overview on our recent results for these ``Yukawa balls'' and compare them to experiments. The shell structure of these systems can be very well explained by using an isotropic statically screened pair interaction. Further, the thermodynamic properties of these systems, such as the radial density distribution are discussed based on an analytical theory [3]. I then will discuss Coulomb crystallization in trapped quantum systems, such as mesoscopic electron and electron hole plasmas in coupled layers [4,5]. These systems show a very rich correlation behavior, including liquid and solid like states and bound states (excitons, biexcitons) and their crystals. On the other hand, also collective quantum and spin effects are observed, including Bose-Einstein condensation and superfluidity of bound electron-hole pairs [4]. Finally, I consider Coulomb crystallization in two-component neutral plasmas in three dimensions. I discuss the necessary conditions for crystals of heavy charges to exist in the presence of a light component which typically is in the Fermi gas or liquid state. It can be shown that their exists a critical ratio of the masses of the species of the order of 80 [5] which is confirmed by Quantum Monte Carlo simulations [6]. Familiar examples are crystals of nuclei in the core of White dwarf stars, but the results also suggest the existence of other crystals, including proton or α-particle crystals in dense matter and of hole crystals in semiconductors. [1] O. Arp, D. Block, A. Piel, and A. Melzer, Phys. Rev. Lett. 93, 165004 (2004). [2] M. Bonitz, D. Block, O. Arp, V. Golubnychiy, H. Baumgartner, P. Ludwig, A. Piel, and A. Filinov, Phys. Rev. Lett. 96, 075001 (2006). [3] C. Henning, H. Baumgartner, A. Piel, P. Ludwig, V. Golubnychiy, M. Bonitz, and D. Block, Phys. Rev. E 74, 056403 (2006) and Phys. Rev. E (2007). [4] A. Filinov, M. Bonitz, and Yu. Lozovik, Phys. Rev. Lett. 86, 3851 (2001). [5] M. Bonitz, V. Filinov, P. Levashov, V. Fortov, and H. Fehske, Phys. Rev. Lett. 95, 235006 (2005) and J. Phys. A: Math. Gen. 39, 4717 (2006). [6] Introduction to Computational Methods for Many-Body Systems, M. Bonitz and D. Semkat (eds.), Rinton Press, Princeton (2006)

Pseudogap in normal underdoped phase of Bi2212: LDA + DMFT + Σk

NASA Astrophysics Data System (ADS)

Nekrasov, I. A.; Kuchinskii, E. Z.; Pchelkina, Z. V.; Sadovskii, M. V.

2007-09-01

Pseudogap phenomena are observed for normal underdoped phase of different high- Tc cuprates. Among others Bi 2Sr 2CaCu 2O 8- δ (Bi2212) compound is one of the most studied experimentally [A. Damascelli, Z. Hussain, Z.-X. Shen, Rev. Mod. Phys. 75 (2003) 473; J.C. Campuzano, M.R. Norman, M. Randeria, in: K.H. Bennemann, J.B. Ketterson (Eds.), Physics of Superconductors, vol. 2, Springer, Berlin, 2004, p. 167; J. Fink et al., cond-mat/0512307; X.J. Zhou et al., cond-mat/0604284]. To describe pseudogap regime in Bi2212, we employ novel generalized DMFT + Σk approach [E.Z. Kuchinskii, I.A. Nekrasov, M.V. Sadovskii, JETP Lett. 82 (2005) 198; M.V. Sadovskii et al., Phys. Rev. B 72 (2005) 155105, and these proceedings, doi:10.1016/j.physc.2007.03.367]. This approach gives possibility to preserve conventional dynamical mean-field theory (DMFT) equations [A. Georges et al., Rev. Mod. Phys. 68 (1996) 13] and include an additional (momentum dependent) self-energy Σk. In the present case, Σk describes non-local dynamical correlations induced by short-ranged collective Heisenberg-like antiferromagnetic spin fluctuations [M.V. Sadovskii, Physics-Uspekhi 44 (2001) 515, cond-mat/0408489]. The effective single impurity problem in the DMFT + Σk is solved by numerical renormalization group (NRG) [R. Bulla, A.C. Hewson, Th. Pruschke, J. Phys. Cond. Mat. 10 (1998) 8365; R. Bulla, Phys. Rev. Lett. 83 (1999) 136]. To take into account material specific properties of two neighboring CuO 2 layers of Bi2212 we employ local density approximation (LDA) to calculate necessary model parameters, e.g. the values of intra- and interlayer hopping integrals between Cu-sites. Onsite Coulomb interaction U for x2- y2 orbital was calculated in constrained LDA method [O. Gunnarsson et al., Phys. Rev. B 39 (1989) 1708]. The value of pseudogap potential Δ was obtained within DMFT(NRG) [E.Z. Kuchinskii, I.A. Nekrasov, M.V. Sadovskii, JETP Lett. 82 (2005) 198; M.V. Sadovskii et al., Phys. Rev. B 72 (2005) 155105, and these proceedings, doi:10.1016/j.physc.2007.03.367]. Here, we report theoretical LDA + DMFT + Σk quasiparticle bands dispersion, Fermi surface (FS) and angular resolved photoemission (ARPES) spectra accounting for pseudogap and bilayer splitting effects for normal underdoped Bi2212 ( δ = 0.15). We show that LDA-calculated value of bilayer splitting (BS) is too small to describe experimentally observed peak-dip-hump structure. Fermi surface in presence of the pseudogap fluctuations is almost insensitive to the BS value. Results obtained are in good agreement with recent ARPES experiments.

Shear viscosity of a two-dimensional emulsion of drops using a multiple-relaxation-time-step lattice Boltzmann method

NASA Astrophysics Data System (ADS)

Halliday, I.; Xu, X.; Burgin, K.

2017-02-01

An extended Benzi-Dellar lattice Boltzmann equation scheme [R. Benzi, S. Succi, and M. Vergassola, Europhys. Lett. 13, 727 (1990), 10.1209/0295-5075/13/8/010; R. Benzi, S. Succi, and M. Vergassola, Phys. Rep. 222, 145 (1992), 10.1016/0370-1573(92)90090-M; P. J. Dellar, Phys. Rev. E 65, 036309 (2002), 10.1103/PhysRevE.65.036309] is developed and applied to the problem of confirming, at low Re and drop fluid concentration, c , the variation of effective shear viscosity, ηeff=η1[1 +f (η1,η2) c ] , with respect to c for a sheared, two-dimensional, initially crystalline emulsion [here η1 (η2) is the fluid (drop fluid) shear viscosity]. Data obtained with our enhanced multicomponent lattice Boltzmann method, using average shear stress and hydrodynamic dissipation, agree well once appropriate corrections to Landau's volume average shear stress [L. Landau and E. M. Lifshitz, Fluid Mechanics, 6th ed. (Pergamon, London, 1966)] are applied. Simulation results also confirm the expected form for f (ηi,η2) , and they provide a reasonable estimate of its parameters. Most significantly, perhaps, the generality of our data supports the validity of Taylor's disputed simplification [G. I. Taylor, Proc. R. Soc. London, Ser. A 138, 133 (1932), 10.1098/rspa.1932.0175] to reduce the effect of one hydrodynamic boundary condition (on the continuity of the normal contraction of stress) to an assumption that interfacial tension is sufficiently strong to maintain a spherical drop shape.

Controlling Droplet Impact with Polymer Additives

NASA Astrophysics Data System (ADS)

Smith, Michael; Bertola, Volfango

2012-02-01

When a water drop falls on to a hydrophobic surface, such as the waxy leaf of a plant, the drop often bounces off leading to wasted agrochemicals which harm the environment. However, adding small quantities (˜100 μgml-1) of a flexible polymer can completely prevent rebound. This is surprising since the shear viscosity and surface tension of such drops are almost identical to those of pure water. The effect has for some time been explained in terms of the stretching of polymer chains by a velocity gradient in the fluid, resulting in a transient increase in the so-called ``extensional viscosity.'' We have developed an epi-fluorescent microscope system, to visualise the flow of fluid inside an impacting drop using tracer particles at 2000 fps. Analysis of the velocity as a function of radius showed negligible differences between water and polymer drops except near the edge, indicating that the extensional viscosity cannot be responsible for the anti-rebound effect. To probe the true mechanism, fluorescently labelled ?-DNA was used to visualise the edge of an impacting drop. During the retraction phase, DNA was shown to be stretched by the retreating droplet providing an ``effective friction'' at the contact line. [4pt] [1] M.I Smith and V. Bertola, Phys. Rev. Letts. 104, 154502 (2010).

Multi-Functional pi-Conjugated Macromolecules Based on Poly(Phenylene Vinylene)

DTIC Science & Technology

1994-03-14

methacrylate-co-4-vinylpyridine)" (in press). 43. J . Polym. Sci., (with R. Vukovic , G. Bogdanic, V. Kuresevic, M. Tomaskovic and W.J. MacKnight) "Phase...Sokolik I Dr. Zhou Yang Dr. Iwao Teraoka IV. JUNIOR RESEARCH PERSONNEL: J . Neill B. Ma. S.L I U i I I i 5 VI. ABSTRACT OF ACCOMPLISHMENTS This report is...chains. I I U I * 14 I VIII. PUBLICATIONS IN PERIOD WITH AFOSR SUPPORT 1. J . Chem. Phys. 98, 712-716 (1993) (with G. Mao, J.E. Fischer and M.J. Winokur

A novel bio-degradable polymer stabilized Ag/TiO2 nanocomposites and their catalytic activity on reduction of methylene blue under natural sun light.

PubMed

Geetha, D; Kavitha, S; Ramesh, P S

2015-11-01

In the present work we defined a novel method of TiO2 doped silver nanocomposite synthesis and stabilization using bio-degradable polymers viz., chitosan (Cts) and polyethylene glycol (PEG). These polymers are used as reducing agents. The instant formation of AgNPs was analyzed by visual observation and UV-visible spectrophotometer. TiO2 nanoparticles doped at different concentrations viz., 0.03, 0.06 and 0.09mM on PEG/Cts stabilized silver (0.04wt%) were successfully synthesized. This study presents a simple route for the in situ synthesis of both metal and polymer confined within the nanomaterial, producing ternary hybrid inorganic-organic nanomaterials. The results reveal that they have higher photocatalytic efficiencies under natural sun light. The synthesized TiO2 doped Ag nanocomposites (NCs) were characterized by SEM/EDS, TEM, XRD, FTIR and DLS with zeta potential. The stability of Ag/TiO2 nanocomposite is due to the high negative values of zeta potential and capping of constituents present in the biodegradable polymer which is evident from zeta potential and FT-IR studies. The XRD and EDS pattern of synthesized Ag/TiO2 NCs showed their crystalline structure, with face centered cubic geometry oriented in (111) plane. AFM and DLS studies revealed that the diameter of stable Ag/TiO2 NCs was approximately 35nm. Moreover the catalytic activity of synthesize Ag/TiO2 NCs in the reduction of methylene blue was studied by UV-visible spectrophotometer. The synthesized Ag/TiO2 NCs are observed to have a good catalytic activity on the reduction of methylene blue by bio-degradable which is confirmed by the decrease in absorbance maximum value of methylene blue with respect to time using UV-vis spectrophotometer. The significant enhancement in the photocatalytic activity of Ag/TiO2 nanocomposites under sun light irradiation can be ascribed to the effect of noble metal Ag by acting as electron traps in TiO2 band gap. Copyright © 2015. Published by Elsevier Inc.

Density functional theory for polymeric systems in 2D.

PubMed

Słyk, Edyta; Roth, Roland; Bryk, Paweł

2016-06-22

We propose density functional theory for polymeric fluids in two dimensions. The approach is based on Wertheim's first order thermodynamic perturbation theory (TPT) and closely follows density functional theory for polymers proposed by Yu and Wu (2002 J. Chem. Phys. 117 2368). As a simple application we evaluate the density profiles of tangent hard-disk polymers at hard walls. The theoretical predictions are compared against the results of the Monte Carlo simulations. We find that for short chain lengths the theoretical density profiles are in an excellent agreement with the Monte Carlo data. The agreement is less satisfactory for longer chains. The performance of the theory can be improved by recasting the approach using the self-consistent field theory formalism. When the self-avoiding chain statistics is used, the theory yields a marked improvement in the low density limit. Further improvements for long chains could be reached by going beyond the first order of TPT.

Invasion percolation with memory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kharabaf, H.; Yortsos, Y.C.

Motivated by the problem of finding the minimum threshold path (MTP) in a lattice of elements with random thresholds {tau}{sub i}, we propose a new class of invasion processes, in which the front advances by minimizing or maximizing the measure S{sub n}={summation}{sub i}{tau}{sub i}{sup n} for real n. This rule assigns long-time memory to the invasion process. If the rule minimizes S{sub n} (case of minimum penalty), the fronts are stable and connected to invasion percolation in a gradient [J. P. Hulin, E. Clement, C. Baudet, J. F. Gouyet, and M. Rosso, Phys. Rev. Lett. {bold 61}, 333 (1988)] butmore » in a correlated lattice, with invasion percolation [D. Wilkinson and J. F. Willemsen, J. Phys. A {bold 16}, 3365 (1983)] recovered in the limit {vert_bar}n{vert_bar}={infinity}. For small n, the MTP is shown to be related to the optimal path of the directed polymer in random media (DPRM) problem [T. Halpin-Healy and Y.-C. Zhang, Phys. Rep. {bold 254}, 215 (1995)]. In the large n limit, however, it reduces to the backbone of a mixed site-bond percolation cluster. The algorithm allows for various properties of the MTP and the DPRM to be studied. In the unstable case (case of maximum gain), the front is a self-avoiding random walk. {copyright} {ital 1997} {ital The American Physical Society}« less

Disentangled solid state and metastable polymer melt; a solvent free route to high-modulus high-strength tapes and films of UHMWPE

NASA Astrophysics Data System (ADS)

Rastogi, Sanjay

2013-03-01

Ultra High Molecular Weight Polyethylene (UHMWPE) having average molar mass greater than a million g/mol is an engineering polymer. Due to its light-weight, high abrasion resistance and biocompatibility it is used for demanding applications such as body armour, prostheses etc. At present, because of its high melt viscosity to achieve the uniaxial/biaxial properties in the form of fibers/films the polymer is processed via solution route where nearly 95wt% of the solvent is used to process 5wt% of the polymer. In past several attempts have been made to process the polymer without using any solvent. However, compared to the solvent processing route the achieved mechanical properties were rather poor. Here we show that by controlled synthesis it is feasible to obtain UHMWPE that could be processed free of solvent to make uniaxial tapes and biaxial films, having unprecedented mechanical properties, exceeding that of the solution spun fibers. We address some of the fundamental aspects of chemistry, physics, rheology and processing for the development of desired morphological features to achieve the ultimate mechanical properties in tapes and films. The paper will also address the metastable melt state obtained on melting of the disentangled crystals and its implication on rheology in linear and nonlinear viscoelastic region. Solid state NMR studies will be applied to establish disentangled state in solid state to the polymerisation conditions. References: Macromolecules 2011, 44(14), 5558-5568; Nature Materials 2005, 4, 635-641; Phys Rev Lett 2006, 96(21), 218303-218205. The authors acknowledge financial support by the Dutch Polymer Institute.

Fabrication of Covalently Crosslinked and Amine-Reactive Microcapsules by Reactive Layer-by-Layer Assembly of Azlactone-Containing Polymer Multilayers on Sacrificial Microparticle Templates

PubMed Central

Saurer, Eric M.; Flessner, Ryan M.; Buck, Maren E.; Lynn, David M.

2011-01-01

We report on the fabrication of covalently crosslinked and amine-reactive hollow microcapsules using ‘reactive’ layer-by-layer assembly to deposit thin polymer films on sacrificial microparticle templates. Our approach is based on the alternating deposition of layers of a synthetic polyamine and a polymer containing reactive azlactone functionality. Multilayered films composed of branched poly(ethylene imine) (BPEI) and poly(2-vinyl-4,4-dimethylazlactone) (PVDMA) were fabricated layer-by-layer on the surfaces of calcium carbonate and glass microparticle templates. After fabrication, these films contained residual azlactone functionality that was accessible for reaction with amine-containing molecules. Dissolution of the calcium carbonate or glass cores using aqueous ethylenediamine tetraacetic acid (EDTA) or hydrofluoric acid (HF), respectively, led to the formation of hollow polymer microcapsules. These microcapsules were robust enough to encapsulate and retain a model macromolecule (FITC-dextran) and were stable for at least 22 hours in high ionic strength environments, in low and high pH solutions, and in several common organic solvents. Significant differences in the behaviors of capsules fabricated on CaCO3 and glass cores were observed and characterized using scanning electron microscopy (SEM) and energy dispersive X-ray spectroscopy (EDS). Whereas capsules fabricated on CaCO3 templates collapsed upon drying, capsules fabricated on glass templates remained rigid and spherical. Characterization using EDS suggested that this latter behavior results, at least in part, from the presence of insoluble metal fluoride salts that are trapped or precipitate within the walls of capsules after etching of the glass cores using HF. Our results demonstrate that the assembly of BPEI/PVDMA films on sacrificial templates can be used to fabricate reactive microcapsules of potential use in a wide range of fields, including catalysis, drug and gene delivery, imaging, and biomedical research. PMID:21383867

Re-evaluation of the impact of ternary additions of Ni and Cu on the A1 to L1{sub 0} transformation in FePt films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, B.; Barmak, K.

2011-06-15

The impact of ternary additions of Ni (1.6-21.5 at. %) and Cu (1.3-17.3 at. %) on the A1 (face centered cubic, fcc) to L1{sub 0} phase transformation in FePt films has been re-evaluated based on compositions obtained using energy dispersive x-ray spectrometry (EDS). The data presented here serve as corrections to results reported in six previous studies [D. C. Berry and K. Barmak, J. Appl. Phys. 102, 024912 (2007); 101, 014905 (2007); 99, 08G901 (2006); D. C. Berry, J. Kim, K. Barmak, K. Wierman, E. B. Svedberg, and J. K. Howard, Scr. Mater. 53, 423 (2005); K. Barmak, J. Kim,more » D. C. Berry, W. N. Hanani, K. Wierman, E. B. Svedberg, and J. K. Howard, J. Appl. Phys. 97, 024902 (2005); K. Barmak, J. Kim, D. C. Berry, K. W. Wierman, E. B. Svedberg, and J. K. Howard, ibid. 95, 7486 (2004)]. The new EDS compositions do not change the following conclusions of these previous studies: (i) when ternary FeNiPt and FeCuPt alloys are compared with binary FePt alloys with the same Pt content, it is seen that additions of Ni slow the transformation kinetics, whereas additions of Cu have no measurable impact on the kinetics, (ii) the Curie temperature of the L1{sub 0} phase is lowered by additions of Ni or Cu, (iii) the Curie temperature of the A1 phase is increased by additions of Ni, but lowered by additions of Cu, and (iv) the transformation enthalpy is lowered by large additions of Ni, but is unaffected by additions of Cu. The ordering behavior of FeCuPt alloys as evidenced by the kinetic ordering temperature is compared with other reports in the literature based on magnetic measurements.« less

Nanotechnology Concepts at MSFC: Engineering Directorate

NASA Technical Reports Server (NTRS)

Bhat, Biliyar; Kaul, Raj; Shah, Sandeep; Smithers, Gweneth; Watson, Michael D.

2000-01-01

Nanotechnology is the art and science of building materials and devices at the ultimate level of finesse: atom by atom. Our nation's space program has needs for miniaturization of components, minimization of weight and maximization of performance, and nanotechnology will help us get there. MSFC - Engineering Directorate (ED) is committed to developing nanotechnology that will enable MSFC missions in space transportation, space science and space optics manufacturing. MSFC-ED has a dedicated group of technologists who are currently developing high pay-off nanotechnology concepts. This poster presentation will outline some of the concepts being developed at this time including, nanophase structural materials, carbon nanotube reinforced metal and polymer matrix composites, nanotube temperature sensors and aerogels. The poster will outline these concepts and discuss associated technical challenges in turning these concepts into real components and systems.

Extreme events as foundation of Lévy walks with varying velocity

NASA Astrophysics Data System (ADS)

Kutner, Ryszard

2002-11-01

In this work we study the role of extreme events [E.W. Montroll, B.J. West, in: J.L. Lebowitz, E.W. Montrell (Eds.), Fluctuation Phenomena, SSM, vol. VII, North-Holland, Amsterdam, 1979, p. 63; J.-P. Bouchaud, M. Potters, Theory of Financial Risks from Statistical Physics to Risk Management, Cambridge University Press, Cambridge, 2001; D. Sornette, Critical Phenomena in Natural Sciences. Chaos, Fractals, Selforganization and Disorder: Concepts and Tools, Springer, Berlin, 2000] in determining the scaling properties of Lévy walks with varying velocity. This model is an extension of the well-known Lévy walks one [J. Klafter, G. Zumofen, M.F. Shlesinger, in M.F. Shlesinger, G.M. Zaslavsky, U. Frisch (Eds.), Lévy Flights and Related Topics ion Physics, Lecture Notes in Physics, vol. 450, Springer, Berlin, 1995, p. 196; G. Zumofen, J. Klafter, M.F. Shlesinger, in: R. Kutner, A. Pȩkalski, K. Sznajd-Weron (Eds.), Anomalous Diffusion. From Basics to Applications, Lecture Note in Physics, vol. 519, Springer, Berlin, 1999, p. 15] introduced in the context of chaotic dynamics where a fixed value of the walker velocity is assumed for simplicity. Such an extension seems to be necessary when the open and/or complex system is studied. The model of Lévy walks with varying velocity is spanned on two coupled velocity-temporal hierarchies: the first one consisting of velocities and the second of corresponding time intervals which the walker spends between the successive turning points. Both these hierarchical structures are characterized by their own self-similar dimensions. The extreme event, which can appear within a given time interval, is defined as a single random step of the walker having largest length. By finding power-laws which describe the time-dependence of this displacement and its statistics we obtained two independent diffusion exponents, which are related to the above-mentioned dimensions and which characterize the extreme event kinetics. In this work we show the principal influence of extreme events on the basic quantities (one-step distributions and moments as well as two-step correlation functions) of the continuous-time random walk formalism. Besides, we construct both the waiting-time distribution and sojourn probability density directly in a real space and time in the scaling form by proper component analysis which takes into account all possible fluctuations of the walker steps in contrast to the extreme event analysis. In this work we pay our attention to the basic quantities, since the summarized multi-step ones were already discussed earlier [Physica A 264 (1999) 107; Comp. Phys. Commun. 147 (2002) 565]. Moreover, we study not only the scaling phenomena but also, assuming a finite number of hierarchy levels, the breaking of scaling and its dependence on control parameters. This seems to be important for studying empirical systems the more so as there are still no closed formulae describing this phenomenon except the one for truncated Lévy flights [Phys. Rev. Lett. 73 (1994) 2946]. Our formulation of the model made possible to develop an efficient Monte Carlo algorithm [Physica A 264 (1999) 107; Comp. Phys. Commun. 147 (2002) 565] where no MC step is lost.

Influence of Peripheral Architecture on the Properties of Aryl Polyhedral Oligomeric Silsesquioxanes

DTIC Science & Technology

2012-03-28

8. PERFORMING ORGANIZATION REPORT NUMBER Air Force Research Laboratory (AFMC) AFRL/RZSM 9 Antares Road Edwards AFB CA 93524-7401 9...SPONSOR/MONITOR’S 5 Pollux Drive NUMBER(S) Edwards AFB CA 93524-7048 AFRL-RZ-ED-VG-2012-086 12. DISTRIBUTION / AVAILABILITY STATEMENT...National Meeting, San Diego, CA , 25-29 March 2012 and publication in Polymer Preprints, March 25, 2012. 14. ABSTRACT POSS compounds with non

Fabrication Processes to Generate Concentration Gradients in Polymer Solar Cell Active Layers

PubMed Central

Inaba, Shusei; Vohra, Varun

2017-01-01

Polymer solar cells (PSCs) are considered as one of the most promising low-cost alternatives for renewable energy production with devices now reaching power conversion efficiencies (PCEs) above the milestone value of 10%. These enhanced performances were achieved by developing new electron-donor (ED) and electron-acceptor (EA) materials as well as finding the adequate morphologies in either bulk heterojunction or sequentially deposited active layers. In particular, producing adequate vertical concentration gradients with higher concentrations of ED and EA close to the anode and cathode, respectively, results in an improved charge collection and consequently higher photovoltaic parameters such as the fill factor. In this review, we relate processes to generate active layers with ED–EA vertical concentration gradients. After summarizing the formation of such concentration gradients in single layer active layers through processes such as annealing or additives, we will verify that sequential deposition of multilayered active layers can be an efficient approach to remarkably increase the fill factor and PCE of PSCs. In fact, applying this challenging approach to fabricate inverted architecture PSCs has the potential to generate low-cost, high efficiency and stable devices, which may revolutionize worldwide energy demand and/or help develop next generation devices such as semi-transparent photovoltaic windows. PMID:28772878

Requirement for Pectin Methyl Esterase and Preference for Fragmented over Native Pectins for Wall-associated Kinase-activated, EDS1/PAD4-dependent Stress Response in Arabidopsis*

PubMed Central

Kohorn, Bruce D.; Kohorn, Susan L.; Saba, Nicholas J.; Martinez, Victoriano Meco

2014-01-01

The wall-associated kinases (WAKs) have a cytoplasmic protein kinase domain that spans the plasma membrane and binds pectin in the extracellular matrix of plants. WAKs are required for cell expansion during Arabidopsis seedling development but are also an integral part of the response to pathogens and stress that present oligogalacturonides (OGs), which subsequently bind to WAKs and activate a MPK6 (mitogen-activated protein kinase)-dependent pathway. It was unclear how WAKs distinguish native pectin polymers and OGs to activate one or the other of these two pathways. A dominant allele of WAK2 constitutively activates the stress response, and we show here that the effect is dependent upon EDS1 and PAD4, transcriptional activators involved in the pathogen response. Moreover, the WAK2 dominant allele is suppressed by a null allele of a pectin methyl esterase (PME3) whose activity normally leads to cross-linking of pectins in the cell wall. Although OGs activate a transcriptional response in wild type, the response is enhanced in a pme3/pme3 null, consistent with a competition by OG and native polymers for activation of WAKs. This provides a plausible mechanism for WAKs to distinguish an expansion from a stress pathway. PMID:24855660

Flory Model of Polymer Crystallization, Kauzmann Paradox and Gibbs-DiMarzio Theory of Glass Transition

NASA Astrophysics Data System (ADS)

Corsi, A.; Gujrati, P. D.

2000-03-01

The Flory model of crystallization of polymers is well known and forms the cornerstone of the Gibbs-DiMarzio theory of glass transition. The model has no known exact solution and the original calculation [1] was shown to be incorrect [2]. Still it is interesting to know the order of the phase transition, if it has one. We have studied the thermodynamics of the model in the limit of infinite molecular weight. We have solved it exactly on a recursive lattice with coordination number q=4, relevant for a tetrahedral lattice. Our results show that there is a continuous, i.e. a second-order, transition at which the entropy of the system is continuous. It is finite at all temperatures and approaches 0 as T goes to 0 so that the system is never completely ordered except at T=0. As the temperature is raised above T=0 the system begins to disorder with a degree of disorder that depends on T, which is in accordance with the analysis of Gujrati and Goldstein [2]. Since there is no first order transition there is no Kauzmann paradox. Similarly there is no possible metastable extension in the model which is central to the Gibbs-DiMarzio conjecture for an ideal glass transition. Thus, our solution does not justify their conjecture. [1] P.J. Flory, Proc. R. Soc. London Ser., A234, 60 (1956) [2] P.D. Gujrati, J. Phys. A: Math. Gen., 13, L437 (1980), P.D. Gujrati, M. Goldstein, J. Chem. Phys., 74(4), 2596 (1981)

Photophysical Diversity of Water-Soluble Fluorescent Conjugated Polymers Induced by Surfactant Stabilizers for Rapid and Highly Selective Determination of 2,4,6-Trinitrotoluene Traces.

PubMed

Alizadeh, Naader; Akbarinejad, Alireza; Ghoorchian, Arash

2016-09-21

The increasing application of fluorescence spectroscopy in development of reliable sensing platforms has triggered a lot of research interest for the synthesis of advanced fluorescent materials. Herein, we report a simple, low-cost strategy for the synthesis of a series of water-soluble conjugated polymer nanoparticles with diverse emission range using cationic (hexadecyltrimethylammonium bromide, CTAB), anionic (sodium dodecylbenzenesulfonate, SDBS), and nonionic (TX114) surfactants as the stabilizing agents. The role of surfactant type on the photophisical and sensing properties of resultant polymers has been investigated using dynamic light scattering (DLS), FT-IR, UV-vis, fluorescence, and energy dispersive X-ray (EDS) spectroscopies. The results show that the surface polarity, size, and spectroscopic and sensing properties of conjugated polymers could be well controlled by the proper selection of the stabilizer type. The fluorescent conjugated polymers exhibited fluorescence quenching toward nitroaromatic compounds. Further studies on the fluorescence properties of conjugated polymers revealed that the emission of the SDBS stabilized polymer, N-methylpolypyrrole-SDBS (NMPPY-SDBS), is strongly quenched by 2,4,6-trinitrotoluene molecule with a large Stern -Volmer constant of 59 526 M(-1) and an excellent detection limit of 100 nM. UV-vis and cyclic voltammetry measurements unveiled that fluorescence quenching occurs through a charge transfer mechanism between electron rich NMPPY-SDBS and electron deficient 2,4,6-trinitrotoluene molecules. Finally, the as-prepared conjugated polymer and approach were successfully applied to the determination of 2,4,6-trinitrotoluene in real water samples.

EDITORIAL: Colloidal dispersions in external fields Colloidal dispersions in external fields

NASA Astrophysics Data System (ADS)

Löwen, Hartmut

2012-11-01

Colloidal dispersions have long been proven as pivotal model systems for equilibrium phase transition such as crystallization, melting and liquid-gas phase transition. The last decades have revealed that this is also true for nonequilibrium phenomena. In fact, the fascinating possibility to track the individual trajectories of colloidal particles has greatly advanced our understanding of collective behaviour in classical many-body systems and has helped to reveal the underlying physical principles of glass transition, crystal nucleation, and interfacial dynamics (to name just a few typical nonequilibrium effects). External fields can be used to bring colloids out of equilibrium in a controlled way. Different kinds of external fields can be applied to colloidal dispersions, namely shear flow, electric, magnetic and laser-optical fields, and confinement. Typical research areas can be sketched with the by now traditional complexity diagram (figure 1). The complexity of the colloidal system itself as embodied in statistical degrees of freedom is shown on the x-axis while the complexity of the problem posed, namely bulk, an inhomogeneity in equilibrium, steady state nonequilibrium and full time-dependent nonequilibrium are shown on the y-axis. The different external fields which can be imposed are indicated by the different hatched areas. figure1 Figure 1. Diagram of complexity for colloidal dispersions in external fields: while the x-axis shows the complexity of the system, the y-axis shows the complexity of the problem. Regions which can be accessed by different kinds of external fields are indicated. The arrows indicate recent research directions. Active particles are also indicated with a special complexity of internal degrees of freedom [1]. This collection of papers reflects the scientific programme of the International Conference on Colloidal Dispersions in External Fields III (CODEF III) which took place in Bonn-Bad Godesberg from 20-23 March 2012. This was the third conference in a series that began in 2004 [2] and was continued in 2008 [3]. The CODEF meeting series is held in conjunction with the German Dutch Transregional Collaborative Research Centre SFB TR6 with the title Physics of Colloidal Dispersions in External Fields. Papers from scientists working within this network as well as those from further invited contributors are summarized in this issue. They are organized according to the type of field applied, namely: shear flow electric field laser-optical and magnetic field confinement other fields and active particles To summarize the highlights of this special issue as regards shear fields, the response of depletion-induced colloidal clusters to shear is explored in [4]. Soft particles deform under shear and their structural and dynamical behaviour is studied both by experiment [5] and theory [6]. Transient dynamics after switching on shear is described by a joint venture of theory, simulation and experiment in [7]. Colloids provide the fascinating possibility to drag single particles through the suspension, which gives access to microrheology (as opposed to macrorheology, where macroscopic boundaries are moved). Several theoretical aspects of microrheology are discussed in this issue [8-10]. Moreover, a microscopic theory for shear viscosity is presented [11]. Various aspects of colloids in electric fields are also included in this issue. Electrokinetic phenomena for charged suspensions couple flow and electric phenomena in an intricate way and are intensely discussed both by experiment and simulation in contributions [12-14]. Dielectric phenomena are also influenced by electric fields [15]. Electric fields can induce effective dipolar forces between colloids leading to string formation [16]. Finally, binary mixtures in an electric driving field exhibit laning [17]. Simulation [18] and theoretical [19] studies of this nonequilibrium phenomenon are also discussed in this issue. Laser-optical fields can be used to tailor a random substrate potential for colloids [20] or to bind colloids optically [21]. External magnetic fields are typically used to create dipolar repulsions of colloids pending at an air-water interface. This provides an avenue to two-dimensional systems, where the freezing transition [22] and various transport phenomena through channels are the focus of recent research [23, 24]. Confinement typically leads to interfaces. The classical problem of the Tolman length for a fluid-fluid interface is reviewed in detail in [25]. In fact, colloid-polymer mixtures constitute ideal model systems for liquid-gas interfaces in various geometries [26] and are also suitable for measuring the Tolman length experimentally. Crystalline phases in confinement [27] and crystal-fluid interfaces [28] are even more complex due to the inhomogeneity of the solid phase. Also in the confined fluid phase, there are still open issues in slit-pore geometry. These include how to scale the interparticle distance [29] and how to measure hydrodynamic interactions between colloidal particles [30]. Other external fields which can be applied to colloids are gravity [31] and temperature [32]. An important field of recently emerging research is active colloidal particles (so-called microswimmers) which possess fascinating nonequilibrium properties; for recent reviews see [33-35]. Two examples are also included in this issue: an active deformable particle [36] moving in gravity and the collective turbulent swarming behaviour of dense self-propelled colloidal rod suspensions [37]. References [1]Löwen H 2001 J. Phys. Condens. Matter 13 R415 [2]Löwen H and Likos C N (ed) 2004 J. Phys. Condens. Matter 16 (special issue) [3]Löwen H 1976 J. Phys. Condens. Matter 20 404201 [4]Guu D, Dhont J K G, Vliegenthart G A and Lettinga M P 2012 J. Phys. Condens. Matter 24 464101 [5]Gupta S, Kundu S, Stellbrink J, Willner L, Allgaier J and Richter D 2012 J. Phys. Condens. Matter 24 464102 [6]Singh S P, Fedosov D A, Chatterji A, Winkler R G, Gompper G 2012 J. Phys. Condens. Matter 24 464103 [7]Laurati M et al 2012 J. Phys. Condens. Matter 24 464104 [8]Harrer C J, Winter D, Horbach J, Fuchs M and Voigtmann T 2012 J. Phys. Condens. Matter 24 464105 [9]De Puit R J and Squires T M 2012 J. Phys. Condens. Matter 24 464106 [10]De Puit R J and Squires T M 2012 J. Phys. Condens. Matter 24 464107 [11]Contreras-Aburto C and Nägele G 2012 J. Phys. Condens. Matter 24 464108 [12]Palberg T, Köller T, Sieber B, Schweinfurth H, Reiber H and Nägele G 2012 J. Phys. Condens. Matter 24 464109 [13]Papadopoulos P, Deng X and Vollmer D 2012 J. Phys. Condens. Matter 24 464110 [14]Schmitz R and Dünweg B 2012 J. Phys. Condens. Matter 24 464111 [15]Zhou J and Schmid F 2012 J. Phys. Condens. Matter 24 464112 [16]Smallenburg F, Vutukuri H R, Imhof A, van Blaaderen A and Dijkstra M 2012 J. Phys. Condens. Matter 24 464113 [17]Vissers T, Wysocki A, Rex M, Löwen H, Royall C P, Imhof A and van Blaaderen A 2011 Soft Matter 7 2352 [18]Glanz T and Löwen H 2012 J. Phys. Condens. Matter 24 464114 [19]Kohl M, Ivlev A, Brand P, Morfill G E and Löwen H 2012 J. Phys. Condens. Matter 24 464115 [20]Hanes R D L and Egelhaaf S U 2012 J. Phys. Condens. Matter 24 464116 [21]Mazilu M, Rudhall A, Wright E M and Dholakia K 2012 J. Phys. Condens. Matter 24 464117 [22]Dillmann P, Maret G and Keim P 2012 J. Phys. Condens. Matter 24 464118 [23]Wilms D et al 2012 J. Phys. Condens. Matter 24 464119 [24]Kreuter C, Siems U, Henseler P, Nielaba P, Leiderer P and Erbe A 2012 J. Phys. Condens. Matter 24 464120 [25]Malijevsky A and Jackson G 2012 J. Phys. Condens. Matter 24 464121 [26]Statt A, Winkler A, Virnau P and Binder K 2012 J. Phys. Condens. Matter 24 464122 [27]Oğuz E C, Löwen H, Reinmüller A, Schöpe H J, Palberg T and Messina R 2012 J. Phys. Condens. Matter 24 464123 [28]Oettel M 2012 J. Phys. Condens. Matter 24 464124 [29]Zeng Y and van Klitzing R 2012 J. Phys. Condens. Matter 24 464125 [30]Bonilla-Capilla B, Ramirez-Saito A, Ojeda-Lopez M A and Arauz-Lara J L 2012 J. Phys. Condens. Matter 24 464126 [31]Leferink op Reinink A B G M, van den Pol E, Byelov D V, Petukhov A V and Vroege G J 2012 J. Phys. Condens. Matter 24 464127 [32]Taylor S L, Evans R and Royall C P 2012 J. Phys. Condens. Matter 24 464128 [33]Toner J, Tu Y H and Ramaswamy S 2012 J. Phys. Condens. Matter 24 464110 [34]Schmitz R and Dünweg B 2005 J. Phys. Condens. Matter 318 170 [35]Cates M E 2012 Rep. Prog. Phys. 75 042601 [36]Tarama M and Ohta T 2012 J. Phys. Condens. Matter 24 464129 [37]Wensink H H and Löwen H 2012 J. Phys. Condens. Matter 24 464130 Colloidal dispersions in external fields contents Colloidal dispersions in external fieldsHartmut Löwen Depletion induced clustering in mixtures of colloidal spheres and fd-virusD Guu, J K G Dhont, G A Vliegenthart and M P Lettinga Advanced rheological characterization of soft colloidal model systemsS Gupta, S K Kundu, J Stellbrink, L Willner, J Allgaier and D Richter Conformational and dynamical properties of ultra-soft colloids in semi-dilute solutions under shear flowSunil P Singh, Dmitry A Fedosov, Apratim Chatterji, Roland G Winkler and Gerhard Gompper Transient dynamics in dense colloidal suspensions under shear: shear rate dependenceM Laurati, K J Mutch, N Koumakis, J Zausch, C P Amann, A B Schofield, G Petekidis, J F Brady, J Horbach, M Fuchs and S U Egelhaaf Force-induced diffusion in microrheologyCh J Harrer, D Winter, J Horbach, M Fuchs and Th Voigtmann Micro-macro-discrepancies in nonlinear microrheology: I. Quantifying mechanisms in a suspension of Brownian ellipsoidsRyan J DePuit and Todd M Squires Micro-macro discrepancies in nonlinear microrheology: II. Effect of probe shapeRyan J DePuit and Todd M Squires Viscosity of electrolyte solutions: a mode-coupling theoryClaudio Contreras-Aburto and Gerhard Nägele Electro-kinetics of charged-sphere suspensions explored by integral low-angle super-heterodyne laser Doppler velocimetryThomas Palberg, Tetyana Köller, Bastian Sieber, Holger Schweinfurth, Holger Reiber and Gerhard Nägele Electrokinetics on superhydrophobic surfacesPeriklis Papadopoulos, Xu Deng, Doris Vollmer and Hans-Jürgen Butt Numerical electrokineticsR Schmitz and B Dünweg Dielectric response of nanoscopic spherical colloids in alternating electric fields: a dissipative particle dynamics simulationJiajia Zhou and Friederike Schmid Self-assembly of colloidal particles into strings in a homogeneous external electric or magnetic fieldFrank Smallenburg, Hanumantha Rao Vutukuri, Arnout Imhof, Alfons van Blaaderen and Marjolein Dijkstra The nature of the laning transition in two dimensionsT Glanz and H Löwen Microscopic theory for anisotropic pair correlations in driven binary mixturesMatthias Kohl, Alexei V Ivlev, Philip Brandt, Gregor E Morfill and Hartmut Löwen Dynamics of individual colloidal particles in one-dimensional random potentials: a simulation studyRichard D L Hanes and Stefan U Egelhaaf An interacting dipole model to explore broadband transverse optical bindingMichael Mazilu, Andrew Rudhall, Ewan M Wright and Kishan Dholakia Comparison of 2D melting criteria in a colloidal systemPatrick Dillmann, Georg Maret and Peter Keim Effects of confinement and external fields on structure and transport in colloidal dispersions in reduced dimensionalityD Wilms, S Deutschländer, U Siems, K Franzrahe, P Henseler, P Keim, N Schwierz, P Virnau, K Binder, G Maret and P Nielaba Stochastic transport of particles across single barriersChristian Kreuter, Ullrich Siems, Peter Henseler, Peter Nielaba, Paul Leiderer and Artur Erbe A perspective on the interfacial properties of nanoscopic liquid dropsAlexandr Malijevský and George Jackson Controlling the wetting properties of the Asakura-Oosawa model and applications to spherical confinementA Statt, A Winkler, P Virnau and K Binder Crystalline multilayers of charged colloids in soft confinement: experiment versus theoryE C Oğuz, A Reinmüller, H J Schöpe, T Palberg, R Messina and H Löwen Mode expansion for the density profiles of crystal-fluid interfaces: hard spheres as a test caseM Oettel Scaling of layer spacing of charged particles under slit-pore confinement: an effect of concentration or of effective particle diameter?Yan Zeng and Regine von Klitzing Hydrodynamic interactions between colloidal particles in a planar poreB Bonilla-Capilla, A Ramírez-Saito, M A Ojeda-López and J L Arauz-Lara Ageing in a system of polydisperse goethite boardlike particles showing rich phase behaviourA B G M Leferink op Reinink, E van den Pol, D V Byelov, A V Petukhov and G J Vroege Temperature as an external field for colloid-polymer mixtures: 'quenching' by heating and 'melting' by coolingShelley L Taylor, Robert Evans and C Patrick Royall Spinning motion of a deformable self-propelled particle in two dimensionsMitsusuke Tarama and Takao Ohta Emergent states in dense systems of active rods: from swarming to turbulenceH H Wensink and H Löwen

Laws controlling crystallization and melting in bulk polymers

NASA Astrophysics Data System (ADS)

Strobl, Gert

2007-03-01

When the fundamentals of the structure of semi-crystalline polymers - layer-like crystallites with fold surfaces being embedded in an amorphous matrix - were revealed in the Fifties, considerations about the mechanism of formation started immediately. In the Sixties and Seventies, they became a major field of research and a focus of interest. In the years which followed the approach put forward by Hoffman, Lauritzen and their co-workers [1] gained superiority. The picture envisaged by the treatment - a crystalline lamella with an ordered fold surface and smooth lateral faces, growing layer by layer with a secondary nucleation as rate determining step - is easy to grasp and yields simple relationships. Supercooling below the equilibrium melting point Tf^∞ is the control parameter determining both the thickness dc and the lateral growth rate of the crystallites G. Experiments carried out during the last decade provided new insights and are now completely changing the understanding. They showed in particular - that dc is inversely proportional to the distance to a temperature Tc^∞ distinctly above Tf^∞- that the activation energy determining G diverges at a temperature Tzero clearly below Tf^∞.Further simple relationships concern- recrystallization processes: dc is again inversely proportional to the distance to Tc^∞- the extension of ordered regions within the lamellar crystallites: it is proportional to dc. We interpret the observations as indication that the pathway followed in the growth of polymer crystallites includes an intermediate phase of mesomorphic character. A thin layer with mesomorphic inner structure forms between the lateral crystal face and the melt, stabilized by epitaxial forces. The first step in the growth process is an attachment of chain sequences from the melt onto the growth face of the mesomorphic layer. The high mobility of the chains in the layer allows a spontaneous thickening, up to a critical thickness, where the layer solidifies under formation of block-like crystallites. The last step is a perfectioning of the crystallites, leading to a further stabilization. We constructed a thermodynamic scheme dealing with the transitions between melt, mesomorphic layers and lamellar crystallites, assuming for the latter ones that they exist both in an initial native and a final stabilized form. Tc^∞ and Tzero are identified with the temperatures Tmc and Tam of the (hidden) transitions mesomorphic -> crystalline and amorphous-> mesomorphic, respectively. Application of the scheme in a quantitative evaluation of small angle X-ray scattering and calorimetric results yields the equilibrium transition temperatures between the various phases, latent heats of transition and surface free energies [2]. [1] J.D Hoffman, G.T Davis, and J.I. Lauritzen. In Treatise on Solid State Chemistry Vol.3, N.B.Hannay Ed., page 497. Plenum, 1976. [2] G. Strobl.Eur.Phys.J.E, 18:295, 2005.

Statistical Thermodynamic Approach to Vibrational Solitary Waves in Acetanilide

NASA Astrophysics Data System (ADS)

Vasconcellos, Áurea R.; Mesquita, Marcus V.; Luzzi, Roberto

1998-03-01

We analyze the behavior of the macroscopic thermodynamic state of polymers, centering on acetanilide. The nonlinear equations of evolution for the populations and the statistically averaged field amplitudes of CO-stretching modes are derived. The existence of excitations of the solitary wave type is evidenced. The infrared spectrum is calculated and compared with the experimental data of Careri et al. [Phys. Rev. Lett. 51, 104 (1983)], resulting in a good agreement. We also consider the situation of a nonthermally highly excited sample, predicting the occurrence of a large increase in the lifetime of the solitary wave excitation.

UV shielding with visible transparency based properties of poly (styrene-co-acrylonitrile)/Ag doped ZnO nanocomposite

NASA Astrophysics Data System (ADS)

Singh, Rajender; Verma, Karan; Singh, Tejbir; Barman, P. B.; Sharma, Dheeraj

2018-02-01

Development of ultraviolet (UV) shielding with visible transparency based thermoplastic polymer nanocomposite (PNs) presents an important requisite in terms of their efficiency and cost. Present study contributed for the same approach by dispersion of Ag doped ZnO nanoparticles upto 10 wt% in poly (styrene-co-acrylonitrile) matrix by insitu emulsion polymerization method. The crystal and chemical structure of PNs has been analyzed by x-ray diffraction (XRD) and fourier infrared spectrometer (FTIR) techniques. The morphological and elemental information of synthesized nanomaterial has been studied by field emission scanning electron microscope (FESEM) and energy dispersive spectroscopy (EDS) technique. The optical properties of PNs has been studied by UV-visible spectroscopy technique. The incorporation of nanoparticles in polymer matrix absorb the complete UV light with visible transparency. The present reported polymer nanocomposite (PNs) have tuned refractive index with UV blocking and visible transparency based properties which can serve as a viable alternative as compared to related conventional materials.

How Kondo-holes create intense nanoscale heavy-fermion hybridization disorder

PubMed Central

Hamidian, Mohammad H.; Schmidt, Andrew R.; Firmo, Inês A.; Allan, Milan P.; Bradley, Phelim; Garrett, Jim D.; Williams, Travis J.; Luke, Graeme M.; Dubi, Yonatan; Balatsky, Alexander V.; Davis, J. C.

2011-01-01

Replacing a magnetic atom by a spinless atom in a heavy-fermion compound generates a quantum state often referred to as a “Kondo-hole”. No experimental imaging has been achieved of the atomic-scale electronic structure of a Kondo-hole, or of their destructive impact [Lawrence JM, et al. (1996) Phys Rev B 53:12559–12562] [Bauer ED, et al. (2011) Proc Natl Acad Sci. 108:6857–6861] on the hybridization process between conduction and localized electrons which generates the heavy-fermion state. Here we report visualization of the electronic structure at Kondo-holes created by substituting spinless thorium atoms for magnetic uranium atoms in the heavy-fermion system URu2Si2. At each thorium atom, an electronic bound state is observed. Moreover, surrounding each thorium atom we find the unusual modulations of hybridization strength recently predicted to occur at Kondo-holes [Figgins J, Morr DK (2011) Phys Rev Lett 107:066401]. Then, by introducing the “hybridization gapmap” technique to heavy-fermion studies, we discover intense nanoscale heterogeneity of hybridization due to a combination of the randomness of Kondo-hole sites and the long-range nature of the hybridization oscillations. These observations provide direct insight into both the microscopic processes of heavy-fermion forming hybridization and the macroscopic effects of Kondo-hole doping. PMID:22006302

Application of a New Ensemble Conserving Quantum Dynamics Simulation Algorithm to Liquid para-Hydrogen and ortho-Deuterium

DOE PAGES

Smith, Kyle K.G.; Poulsen, Jens Aage; Nyman, Gunnar; ...

2015-06-30

Here, we apply the Feynman-Kleinert Quasi-Classical Wigner (FK-QCW) method developed in our previous work [Smith et al., J. Chem. Phys. 142, 244112 (2015)] for the determination of the dynamic structure factor of liquid para-hydrogen and ortho-deuterium at state points of (T = 20.0 K, n = 21.24 nm -3) and (T = 23.0 K, n = 24.61 nm -3), respectively. When applied to this challenging system, it is shown that this new FK-QCW method consistently reproduces the experimental dynamic structure factor reported by Smith et al. [J. Chem. Phys. 140, 034501 (2014)] for all momentum transfers considered. Moreover, this showsmore » that FK-QCW provides a substantial improvement over the Feynman-Kleinert linearized path-integral method, in which purely classical dynamics are used. Furthermore, for small momentum transfers, it is shown that FK-QCW provides nearly the same results as ring-polymer molecular dynamics (RPMD), thus suggesting that FK-QCW provides a potentially more appealing algorithm than RPMD since it is not formally limited to correlation functions involving linear operators.« less

Application of a New Ensemble Conserving Quantum Dynamics Simulation Algorithm to Liquid para-Hydrogen and ortho-Deuterium

DOE Office of Scientific and Technical Information (OSTI.GOV)

Smith, Kyle K.G.; Poulsen, Jens Aage; Nyman, Gunnar

Here, we apply the Feynman-Kleinert Quasi-Classical Wigner (FK-QCW) method developed in our previous work [Smith et al., J. Chem. Phys. 142, 244112 (2015)] for the determination of the dynamic structure factor of liquid para-hydrogen and ortho-deuterium at state points of (T = 20.0 K, n = 21.24 nm -3) and (T = 23.0 K, n = 24.61 nm -3), respectively. When applied to this challenging system, it is shown that this new FK-QCW method consistently reproduces the experimental dynamic structure factor reported by Smith et al. [J. Chem. Phys. 140, 034501 (2014)] for all momentum transfers considered. Moreover, this showsmore » that FK-QCW provides a substantial improvement over the Feynman-Kleinert linearized path-integral method, in which purely classical dynamics are used. Furthermore, for small momentum transfers, it is shown that FK-QCW provides nearly the same results as ring-polymer molecular dynamics (RPMD), thus suggesting that FK-QCW provides a potentially more appealing algorithm than RPMD since it is not formally limited to correlation functions involving linear operators.« less

Application of a new ensemble conserving quantum dynamics simulation algorithm to liquid para-hydrogen and ortho-deuterium

DOE Office of Scientific and Technical Information (OSTI.GOV)

Smith, Kyle K. G., E-mail: kylesmith@utexas.edu; Poulsen, Jens Aage, E-mail: jens72@chem.gu.se; Nyman, Gunnar, E-mail: nyman@chem.gu.se

We apply the Feynman-Kleinert Quasi-Classical Wigner (FK-QCW) method developed in our previous work [Smith et al., J. Chem. Phys. 142, 244112 (2015)] for the determination of the dynamic structure factor of liquid para-hydrogen and ortho-deuterium at state points of (T = 20.0 K, n = 21.24 nm{sup −3}) and (T = 23.0 K, n = 24.61 nm{sup −3}), respectively. When applied to this challenging system, it is shown that this new FK-QCW method consistently reproduces the experimental dynamic structure factor reported by Smith et al. [J. Chem. Phys. 140, 034501 (2014)] for all momentum transfers considered. This shows that FK-QCWmore » provides a substantial improvement over the Feynman-Kleinert linearized path-integral method, in which purely classical dynamics are used. Furthermore, for small momentum transfers, it is shown that FK-QCW provides nearly the same results as ring-polymer molecular dynamics (RPMD), thus suggesting that FK-QCW provides a potentially more appealing algorithm than RPMD since it is not formally limited to correlation functions involving linear operators.« less

Application of a new ensemble conserving quantum dynamics simulation algorithm to liquid para-hydrogen and ortho-deuterium.

PubMed

Smith, Kyle K G; Poulsen, Jens Aage; Nyman, Gunnar; Cunsolo, Alessandro; Rossky, Peter J

2015-06-28

We apply the Feynman-Kleinert Quasi-Classical Wigner (FK-QCW) method developed in our previous work [Smith et al., J. Chem. Phys. 142, 244112 (2015)] for the determination of the dynamic structure factor of liquid para-hydrogen and ortho-deuterium at state points of (T = 20.0 K, n = 21.24 nm(-3)) and (T = 23.0 K, n = 24.61 nm(-3)), respectively. When applied to this challenging system, it is shown that this new FK-QCW method consistently reproduces the experimental dynamic structure factor reported by Smith et al. [J. Chem. Phys. 140, 034501 (2014)] for all momentum transfers considered. This shows that FK-QCW provides a substantial improvement over the Feynman-Kleinert linearized path-integral method, in which purely classical dynamics are used. Furthermore, for small momentum transfers, it is shown that FK-QCW provides nearly the same results as ring-polymer molecular dynamics (RPMD), thus suggesting that FK-QCW provides a potentially more appealing algorithm than RPMD since it is not formally limited to correlation functions involving linear operators.

Role of hydrodynamic interactions in dynamics of semi-flexible polyelectrolytes

NASA Astrophysics Data System (ADS)

Kekre, Rahul

Experiments have shown that DNA molecules in capillary electrophoresis migrate across field lines if a pressure gradient is applied simultaneously. We suggest that this migration results from an electrically driven flow field around the polyelectrolyte, which generates additional contributions to the center-of-mass velocity if the overall polymer conformation is asymmetric. Numerical simulations and experiments have demonstrated that confined polymers migrate towards the center of the channel in response to both external forces and uniaxial flows. Yet, migration towards the walls has been observed with combinations of external force and flow. In this work, the kinetic theory for an elastic dumbbell developed by Ma and Graham [Phys. Fluids 17, 083103 (2005)] has been extended to account for the effects of an external body force. Further modifications account for counterion screening within a Debye-Huckel approximation for the specific case of applied electric field. The theory qualitatively reproduces results of both experiments for the migration of neutral polymers and polyelectrolytes. The favorable comparison supports the contention [Long et al., Phys. Rev. Lett. 76, 3858 (1996)] that the hydrodynamic interactions in polyelectrolytes decay algebraically, as 1/r 3, rather than exponentially. A coarse-grained polymer model, without explicit charges, is developed and integrated using Brownian-dynamics simulations in analogy with the kinetic theory. The novel feature of the simulations is the inclusion of hydrodynamic interactions induced by the electric field. This model quantitatively captures experimental observations [Zheng and Yeung, Anal. Chem. 75, 3675 (2003)] of DNA migration under combined electric and pressure-driven flow fields in absence of any adjusted parameters. In addition the model predicts dependence of electrophoretic velocity on the instantaneous length of the polyelectrolyte which has been verified by experiments of Lee et. al. [Electrophoresis 31, 2813 (2010)]. The model also predicts phenomenons that are yet to be verified experimentally. These include decrease in diffusivity and increase in radius of gyration of the polyelectrolyte in high electric fields due to internal dispersion. The resulting change in orientation distribution at high electric fields decreases the extent of migration. Preliminary results from microfluidic experiments are presented in this dissertation demonstrating the saturation of migration. This dissertation also includes comparison of results from lattice-Boltzmann and Brownian dynamics simulations of a linear bead-spring model of DNA for two cases; infinite dilution and confinement. We have systematically varied the parameters that may affect the accuracy of the lattice-Boltzmann simulations, including grid resolution, temperature, polymer mass, periodic boundary size and fluid viscosity. For the case of a single chain Lattice-Boltzmann results for the diffusion coefficient and Rouse mode relaxation times were within 1--2% from those obtained from Brownian-dynamics. Results from both methods are also compared for polymer migration in confined flows driven by a uniform shear or pressure gradient. Center-of-mass distribution obtained from Lattice-Boltzmann simulations agrees quantitatively with Brownian-dynamics results, contradicting previously published results. The mobility matrix for a confined polymer was derived by applying Faxen's correction to the flow-field generated by a point force bounded by two parallel plates. This formulation of the mobility matrix is symmetric and positive-definite for all physically accessible configurations of the polymer.

Beyond Flory theory: Distribution functions for interacting lattice trees

NASA Astrophysics Data System (ADS)

Rosa, Angelo; Everaers, Ralf

2017-01-01

While Flory theories [J. Isaacson and T. C. Lubensky, J. Physique Lett. 41, 469 (1980), 10.1051/jphyslet:019800041019046900; M. Daoud and J. F. Joanny, J. Physique 42, 1359 (1981), 10.1051/jphys:0198100420100135900; A. M. Gutin et al., Macromolecules 26, 1293 (1993), 10.1021/ma00058a016] provide an extremely useful framework for understanding the behavior of interacting, randomly branching polymers, the approach is inherently limited. Here we use a combination of scaling arguments and computer simulations to go beyond a Gaussian description. We analyze distribution functions for a wide variety of quantities characterizing the tree connectivities and conformations for the four different statistical ensembles, which we have studied numerically in [A. Rosa and R. Everaers, J. Phys. A: Math. Theor. 49, 345001 (2016), 10.1088/1751-8113/49/34/345001 and J. Chem. Phys. 145, 164906 (2016), 10.1063/1.4965827]: (a) ideal randomly branching polymers, (b) 2 d and 3 d melts of interacting randomly branching polymers, (c) 3 d self-avoiding trees with annealed connectivity, and (d) 3 d self-avoiding trees with quenched ideal connectivity. In particular, we investigate the distributions (i) pN(n ) of the weight, n , of branches cut from trees of mass N by severing randomly chosen bonds; (ii) pN(l ) of the contour distances, l , between monomers; (iii) pN(r ⃗) of spatial distances, r ⃗, between monomers, and (iv) pN(r ⃗|l ) of the end-to-end distance of paths of length l . Data for different tree sizes superimpose, when expressed as functions of suitably rescaled observables x ⃗=r ⃗/√{ } or x =l / . In particular, we observe a generalized Kramers relation for the branch weight distributions (i) and find that all the other distributions (ii-iv) are of Redner-des Cloizeaux type, q (x ⃗) =C |x| θexp(-(K|x |) t) . We propose a coherent framework, including generalized Fisher-Pincus relations, relating most of the RdC exponents to each other and to the contact and Flory exponents for interacting trees.

Synthesis and Study of Guest-Rebinding of MIP Based on MAA Prepared using Theophylline Template

NASA Astrophysics Data System (ADS)

Nurhayati, T.; Yanti; Royani, I.; Widayani; Khairurrijal

2016-08-01

A molecularly imprinted polymer (MIP) based on methacrylic acid (MAA) monomer and theophylline template has been synthesized using a modified bulk polymerization method. Theophylline was employed as a template and it formed a complex with MAA through hydrogen bonding. Self-assembly of template-monomer was followed by cross-linking process using ethylene glycol dimethacrylate (EGDMA) cross-linker. The polymerization process was initiated by thermal decomposition of benzoyl peroxide (BPO) as the initiator at 60oC after cooling treatment at -5oC. After 7 hours, a rigid polymer was obtained and followed by grinding the polymer and removing the template. As a reference, a nonimprinted polymer (NIP) has also been synthesized using similar procedure by excluding the template. FTIR study was carried out to investigate the presence of theophylline in the as- prepared polymer, MIP, and NIP. The spectra indicated that theophylline was successfully incorporated in the as-prepared polymer. This result was also confirmed by EDS analysis showing that N atoms of the as-prepared polymer were derived from amino group of theophylline. Furthermore, the polymer particles of MIP were irregular in shape and size as shown by its SEM image. The capability of guest-rebinding of the MIP was analyzed through Batchwise guest-binding experiment. The results showed that for initial concentration of theophylline in methanol/chloroform (1/1, v/v) of 0.333 mM, the binding capacity of the MIP was 23.22 /mol/g. Compared to the MIP, the adsorption capacity of the NIP was only 3.73 /mol/g. This result shows that MIP has higher affinity than NIP.

Classes of real-world 'small-world' networks: From the neural network of C. Elegans to the web of human sexual contacts

NASA Astrophysics Data System (ADS)

Nunes Amaral, Luis A.

2002-03-01

We study the statistical properties of a variety of diverse real-world networks including the neural network of C. Elegans, food webs for seven distinct environments, transportation and technological networks, and a number of distinct social networks [1-5]. We present evidence of the occurrence of three classes of small-world networks [2]: (a) scale-free networks, characterized by a vertex connectivity distribution that decays as a power law; (b) broad-scale networks, characterized by a connectivity distribution that has a power-law regime followed by a sharp cut-off; (c) single-scale networks, characterized by a connectivity distribution with a fast decaying tail. Moreover, we note for the classes of broad-scale and single-scale networks that there are constraints limiting the addition of new links. Our results suggest that the nature of such constraints may be the controlling factor for the emergence of different classes of networks. [See http://polymer.bu.edu/ amaral/Networks.html for details and htpp://polymer.bu.edu/ amaral/Professional.html for access to PDF files of articles.] 1. M. Barthélémy, L. A. N. Amaral, Phys. Rev. Lett. 82, 3180-3183 (1999). 2. L. A. N. Amaral, A. Scala, M. Barthélémy, H. E. Stanley, Proc. Nat. Acad. Sci. USA 97, 11149-11152 (2000). 3. F. Liljeros, C. R. Edling, L. A. N. Amaral, H. E. Stanley, and Y. Åberg, Nature 411, 907-908 (2001). 4. J. Camacho, R. Guimera, L.A.N. Amaral, Phys. Rev. E RC (to appear). 5. S. Mossa, M. Barthelemy, H.E. Stanley, L.A.N. Amaral (submitted).

Calculating the Vulnerability of Synthetic Polymers to Autoignition during Nuclear Flash.

DTIC Science & Technology

1985-03-01

Lawrence Livermore National Laboratory P.O. Box 808 2561C Livermore, California 94550 II. CONTROLLING OFFICE NAME AND ADDRESS 12. REPORT DATE~March...34Low Emissivity and Solar Control Coatings on Architectural Glass," Proc. SPIE 37, 324 (1982). 10. R. C. Weast, Ed., Handbook of Chemistry and Physics...Attn: Michael Frankel Chief of Engineers Washington, D.C. 20305 Department of the Army Attn: DAEN-RDZ-A Command and Control Technical Center Washington

Requirement for pectin methyl esterase and preference for fragmented over native pectins for wall-associated kinase-activated, EDS1/PAD4-dependent stress response in Arabidopsis.

PubMed

Kohorn, Bruce D; Kohorn, Susan L; Saba, Nicholas J; Martinez, Victoriano Meco

2014-07-04

The wall-associated kinases (WAKs) have a cytoplasmic protein kinase domain that spans the plasma membrane and binds pectin in the extracellular matrix of plants. WAKs are required for cell expansion during Arabidopsis seedling development but are also an integral part of the response to pathogens and stress that present oligogalacturonides (OGs), which subsequently bind to WAKs and activate a MPK6 (mitogen-activated protein kinase)-dependent pathway. It was unclear how WAKs distinguish native pectin polymers and OGs to activate one or the other of these two pathways. A dominant allele of WAK2 constitutively activates the stress response, and we show here that the effect is dependent upon EDS1 and PAD4, transcriptional activators involved in the pathogen response. Moreover, the WAK2 dominant allele is suppressed by a null allele of a pectin methyl esterase (PME3) whose activity normally leads to cross-linking of pectins in the cell wall. Although OGs activate a transcriptional response in wild type, the response is enhanced in a pme3/pme3 null, consistent with a competition by OG and native polymers for activation of WAKs. This provides a plausible mechanism for WAKs to distinguish an expansion from a stress pathway. © 2014 by The American Society for Biochemistry and Molecular Biology, Inc.

A molecular theory of cartilage viscoelasticity.

PubMed

Kovach, I S

1996-03-07

Recent work on the subject of cartilage mechanics has begun to focus on the relationship between the microscopic structure of cartilage and its macroscopic mechanical properties (Bader et al., Biochem. Biophys. Acta, 1116 (1992) 147-154; Buschmann, PhD Thesis, Massachusetts Institute of Technology, 1992; Kovach, Biophys. Chem., 53 (1995) 181-187; Lai et al., J. Biochem. Eng., 113 (1991) 245-248; Armstrong and Mow, J. Bone Jt. Surg., 64A (1982) 88; Jackson and James, Biorheology, 19 (1982) 317-330). This paper reviews recent theoretical developments and presents a comprehensive explanation of the viscoelastic properties of cartilage in terms of molecular structure. In doing this, a closed form hybrid solution to the non-linear, cylindrical Poisson-Boltzmann equation is developed to describe the charge-dependent component of the equilibrium elasticity arising from polysaccharide charge (Benham, J. Chem. Phys., 79 (4) (1983) 1969-1973; Einevoll and Hemmer, J. Phys. Chem., 89 (1) (1988) 474-484; Fixman, J. Chem. Phys., 70 (11) (1979) 4995-5001; Ramanathan and Woodburg, J. Chem. Phys., 82 (3) (1985) 1482-1491; Wennerstrom et al., J. Chem. Phys., 76 (9) (1982) 4665-4670). This solution agrees with numerical solutions found in the literature (Buschmann, PhD Thesis, Massachusetts Institute of Technology, 1992). The charge-independent, entropic contribution to the equilibrium elasticity is explained in a manner similar to that recently presented for concentrated proteoglycan solution (Kovach, Biophys. Chem., 53 (1995) 181-187). This approach exploits a lattice model of the solution, subject to a Bragg-Williams type approximation to derive the volume dependence of polysaccharide configuration entropy (Flory, Principles of Polymer Chemistry, Cornell University Press, Ithaca, NY, 1953; Huggins, Some properties of Solutions of Long-chain Compounds, 1941, pp. 151-157; Stanley, Introduction to Phase Transitions and Critical Phenomena, Oxford University Press, Oxford, 1971). Together, these two contributions accurately reproduce the experimentally determined osmotic pressure of cartilage as previously determined by Maroudas (Maroudas and Bannon, Biorheology, 18 (1981) 619-632). The time-dependent, or creep, phenomena which cartilage exhibits when subject to mechanical load is explained in terms of frictional drag on the polysaccharide chain monomers in terms of a Kirkwood-Riseman type model (Kirkwood and Riseman, J. Chem. Phys., 16 (6) (1948) 573-579). This approach is shown to accurately predict the hydraulic permeability of cartilage as previously determined by Maroudas (Madouras, Ann. Rheum. Dis., 34 (suppl. 3) (1975) 77). By use of a quasi-static approximation (neglecting inertial effects) the time-dependent response to a uniform compressive force is determined and also found to be in good agreement with experimental values from the literature.

Numerical Simulations of Laser-Driven Microflyer Plates

NASA Astrophysics Data System (ADS)

Colvin, Jeffrey D.; Frank, Alan M.; Lee, Ronald S.; Remington, Bruce A.

2000-10-01

Experiments conducted in the US and France have accelerated few-micron-thick foils of aluminum to velocities of 3 - 5 km/s using 25 - 50 J/cm^2 of 1-μm laser light (1,2). These microflyer plates are not too dissimilar in size and velocity from interplanetary dust particles (3). We are performing numerical simulations of these experiments with the 2-D radiation-hydrodynamics code LASNEX (4), incorporating a model for low-fluence electromagnetic wave reflection and absorption in metals, with the objective of determining the physical processes important to optimizing the flyer design. We will discuss our preliminary findings, including the efficacy of a thermal insulation layer and the role played by the substrate on which the flyer is mounted. (1) W.M. Trott, R.E. Setchell, and A.V. Farnsworth, Jr., in Shock Compression of Condensed Matter-1999, ed. M.D. Furnish, L.C. Chhabildas, and R.S. Hixson, AIP, 2000, pp. 1203-06. (2) J. L. Labaste, M. Doucet, and P. Joubert, in Shock Compression of Condensed Matter-1995, ed. S.C. Schmidt and W.C. Tao, AIP, 1996, pp. 1221-24. (3) W.W. Anderson and T.J. Ahrens, J. Geophys. Res. 99, 2063 (1994). (4) G. B. Zimmerman and W. L. Kruer, Comments Plasma Phys. Controlled Fusion 2, 51 (1975).

Soluble Ethylmercapto Substituted Polythiophenes

DTIC Science & Technology

1988-09-27

r - * aS 7 C- CgSnrmnue on reverse if necessary ari a envtiy OY aOCK numnoer) Polymners o -vmrat and 3’.4-bis(ethyirrercapto’ thiophenes have been...svrnthesized and Cn’ara’cserized. These polymers are soluble in com mon organic soivents such as mehlen c0oie cirrr and T1{F. Su-ucsjr...icharacserizanion using FT-ER and NMNR specuaoscopy show that these polymners have a * ve~~Jer~ed( tnlimercamto substituted 1.5-(thienylene) ocjivmeric structure

Two novel penetrating coordination polymers based on flexible S-containing dicarboxylate acid with sensing properties towards Fe3+ and Cr2O72- ions

NASA Astrophysics Data System (ADS)

Chen, Zhiwei; Mi, Xiuna; Wang, Suna; Lu, Jing; Li, Yunwu; Li, Dacheng; Dou, Jianmin

2018-05-01

Two new coordination polymers (CPs), namely, {[Zn(L)(bpp)]·DMF}n (1) and {[Zn(L)(bpe)]·DMF}n (2) (L = 2,2'-[benzene-1,3-diylbis(methanediylsulfanediyl)]dibenzoic acid, bpp= 1,3-bis(4-pyridyl)propane, bpe = 1,2-Bis(4-pyridyl)ethylene, DMF = N,N-Dimethylformamide), have been solvothermally synthesized and fully characterized. Complex 1 displays a 2D→2D three-fold"false" interpenetrating structure while complex 2 possesses a novel 3-D 4-connected structure with fascinating self-penetrating moieties. The luminescence studies reveal that these complexes exhibited excellent selectivity for Fe3+ and Cr2O72- ions in DMF. The sensing mechanism was investigated through PXRD, XPS , EDS mapping measurements, and discussed in details.

Chasing Extreme Polymer Morphologies with Ed

NASA Astrophysics Data System (ADS)

Fredrickson, Glenn

I was privileged to have a seventeen year friendship and scientific collaboration with Edward J. Kramer that produced 55 papers and countless student and postdoc co-advisements. This talk will discuss our last project together; an ongoing research program to achieve thermoplastic polymer materials that are uniquely hard, tough, and elastic, with moduli greater than 100 MPa and elastic recovery greater than 0.9 at strains of 1 or more. The targeted materials are based on an A(BA')n mikto-arm block copolymer architecture, and alloys of these molecules with A homopolymer. The molecular design of the miktopolymer was optimized using self-consistent field theory and the materials realized in a polystyrene (A)-polyisoprene (B) system. TEM, SAXS, and tensile mechanical tests were used to validate the designs and probe microstructure/mechanics relationships. An unexpected discovery was the emergence of a new structured disordered phase - the bricks and mortar phase -in which the A domains remain discrete at up to a volume fraction of 0.7. Field-theoretic simulations have been used to understand the origins of this new fluctuation-stabilized equilibrium phase, which has no precedent in the polymer physics literature.

Fabrication of thermo-responsive cotton fabrics using poly(vinyl caprolactam-co-hydroxyethyl acrylamide) copolymer.

PubMed

Xiao, Min; González, Edurne; Monterroza, Alexis Martell; Frey, Margaret

2017-10-15

A thermo-responsive polymer with hydrophilic to hydrophobic transition behavior, poly(vinyl caprolactam-co-hydroxyethyl acrylamide) P(VCL-co-HEAA), was prepared by copolymerization of vinyl caprolactam and N-hydroxyethyl acrylamide via free radical solution polymerization. The resulting copolymer was characterized by Fourier transform infrared spectroscopy (FTIR), 1 H nuclear magnetic resonance (NMR), gel permeation chromatography (GPC), differential scanning calorimetry (DSC), and thermogravimetric analysis (TGA). The lower critical solution temperature (LCST) of P(VCL-co-HEAA) was determined at 34.5°C. This thermo-responsive polymer was then grafted onto cotton fabrics using 1,2,3,4-butanetetracarboxylic acid (BTCA) as crosslinker and sodium hypophosphite (SHP) as catalyst. FTIR and energy dispersive X-ray spectroscopy (EDS) studies confirmed the successful grafting reaction. The modified cotton fabric exhibited thermo-responsive behavior as evidenced by water vapor permeability measurement confirming decreased permeability at elevated temperature. This is the first demonstration that a PVCL based copolymer is grafted to cotton fabrics. This study provides a new thermo-responsive polymer for fabrication of smart cotton fabrics with thermally switchable hydrophilicity. Copyright © 2017 Elsevier Ltd. All rights reserved.

Maximum of an Airy process plus Brownian motion and memory in Kardar-Parisi-Zhang growth

NASA Astrophysics Data System (ADS)

Le Doussal, Pierre

2017-12-01

We obtain several exact results for universal distributions involving the maximum of the Airy2 process minus a parabola and plus a Brownian motion, with applications to the one-dimensional Kardar-Parisi-Zhang (KPZ) stochastic growth universality class. This allows one to obtain (i) the universal limit, for large time separation, of the two-time height correlation for droplet initial conditions, e.g., C∞=limt2/t1→+∞h(t1) h (t2)¯c/h(t1)2¯c, with C∞≈0.623 , as well as conditional moments, which quantify ergodicity breaking in the time evolution; (ii) in the same limit, the distribution of the midpoint position x (t1) of a directed polymer of length t2; and (iii) the height distribution in stationary KPZ with a step. These results are derived from the replica Bethe ansatz for the KPZ continuum equation, with a "decoupling assumption" in the large time limit. They agree and confirm, whenever they can be compared, with (i) our recent tail results for two-time KPZ with the work by de Nardis and Le Doussal [J. Stat. Mech. (2017) 053212, 10.1088/1742-5468/aa6bce], checked in experiments with the work by Takeuchi and co-workers [De Nardis et al., Phys. Rev. Lett. 118, 125701 (2017), 10.1103/PhysRevLett.118.125701] and (ii) a recent result of Maes and Thiery [J. Stat. Phys. 168, 937 (2017), 10.1007/s10955-017-1839-2] on midpoint position.

Adhesion at Entangled Polymer Interfaces: A Unified Approach..

NASA Astrophysics Data System (ADS)

Wool, Richard

2006-03-01

A unified theory of fracture of polymer interfaces was developed which was based on the Rigidity Percolation model of fracture [R.P. Wool, J.Polym.Sci. Part A: Polym Phys., 43,168(2005)]. The polymer fractured critically when the normalized entanglement density p, approached the percolation threshold pc. The fracture energy was found to be G1c ˜ [p-pc]. When applied to interfaces of width X, containing an areal density σ of chains, each contributing L chain entanglements, the percolation term p ˜ σL/X and the percolation threshold was related to σc, Lc, or Xc. For welding of A/A symmetric interfaces, p = σL/X, and pc Lc/M 0, such that when σ/X ˜1/M for randomly distributed chain ends, p˜L ˜ (t/M)^1/2, G/G* = (t/τ*)^1/2, where the weld time τ* ˜ M. When the chain ends are segregated to the surface, σ is constant with time and G/G* = [t/τ*]^1/4. For sub-Tg welding, there exists a surface mobile layer (due to the critical Lindemann Atom fraction) of depth X ˜ 1/δT^ν such that G ˜ δT-2ν, where the critical exponent v = 0.8. For incompatible A/B interfaces of Helfand width d, normalized width w = d/Rge, and entanglement density Nent ˜ d/Le, p ˜ d such that, G1c ˜ [d-dc], G1c ˜ [w-1], and G ˜ [Nent-Nc]. For incompatible A/B interfaces reinforced by an areal density σ of compatibilizer chains, L and X are constant, p ˜ σ, pc ˜σc, such that G1c ˜ [σ-σc], which is in excellent agreement with experimental data.

Simulation study of the lithium ion transport mechanism in ternary polymer electrolytes: the critical role of the segmental mobility.

PubMed

Diddens, Diddo; Heuer, Andreas

2014-01-30

We present an extensive molecular dynamics (MD) simulation study of the lithium ion transport in ternary polymer electrolytes consisting of poly(ethylene oxide) (PEO), lithium-bis(trifluoromethane)sulfonimide (LiTFSI), and the ionic liquid N-methyl-N-propylpyrrolidinium bis(trifluoromethane)sulfonimide (PYR13TFSI). In particular, we focus on two different strategies by which the ternary electrolytes can be devised, namely by (a) adding the ionic liquid to PEO20LiTFSI and (b) substituting the PEO chains in PEO20LiTFSI by the ionic liquid. To grasp the changes of the overall lithium transport mechanism, we employ an analytical, Rouse-based cation transport model (Maitra et al. Phys. Rev. Lett. 2007, 98, 227802), which has originally been devised for binary PEO-based electrolytes. This model distinguishes three different microscopic transport mechanisms, each quantified by an individual time scale. In the course of our analysis, we extend this mathematical description to account for an entirely new transport mechanism, namely, the TFSI-supported diffusion of lithium ions decoupled from the PEO chains, which emerges for certain stoichiometries. We find that the segmental mobility plays a decisive role in PEO-based polymer electrolytes. That is, whereas the addition of the ionic liquid to PEO20LiTFSI plasticizes the polymer network and thus also increases the lithium diffusion, the amount of free, mobile ether oxygens reduces when substituting the PEO chains by the ionic liquid, which compensates the plasticizing effect. In total, our observations allow us to formulate some general principles about the lithium ion transport mechanism in ternary polymer electrolytes. Moreover, our insights also shed light on recent experimental observations (Joost et al. Electrochim. Acta 2012, 86, 330).

Roles of Magnetic Reconnection and Developments of Modern Theory^*

NASA Astrophysics Data System (ADS)

Coppi, B.

2007-11-01

The role of reconnection was recognized in Solar and Space Physics and auroral substorms were suggested to originate in the night-side of the Earth's magnetosphere as a result collisionless reconnectionootnotetextB. Coppi, Nature 205, 998 (1965). well before the kind of modern theory employed for this became applied to laboratory plasmas. Experiments have reached low collisionality regimes where, like in space plasmas, the features of the electron distribution and in particular of the electron temperature gradient become important and the factors contributing to the electron thermal energy balance equation (transverse thermal and longitudinal diffusivities, or electron Landau dampingootnotetextB. Coppi, J.W.-K. Mark, L. Sugiyama, G. Bertin, Phys. Rev. Letters 42, 1058 (1978) and J. Drake, et al., Phys. Fluids 26, 2509 (1983). play a key role. For this an asymptotic theory of modes producing macroscopic islands has been developed involving 3 regions, the innermost one related to finite resistivity and the intermediate one to the finite ratio of the to thermal conductivitiesootnotetextB. Coppi, C. Crabtree, and V. Roytershteyn contribution to Paper TH/R2-19, I.A.E.A. Conference 2006.,^4. A background of excited micro-reconnecting modes, driven by the electron temperature gradient, is considered to make this ratio significantootnotetextB. Coppi, in``Collective Phenomena in Macroscopic Systems'' Eds. G. Bertin et al. (World Scientific, 2007) MIT-LNS Report 06/11(2006). ^*Supported in part by the US D.O.E.

Electroclinic effect in the chiral lamellar α phase of a lyotropic liquid crystal

NASA Astrophysics Data System (ADS)

Harjung, Marc D.; Giesselmann, Frank

2018-03-01

In thermotropic chiral Sm -A* phases, an electric field along the smectic layers breaks the D∞ symmetry of the Sm -A* phase and induces a tilt of the liquid crystal director. This so-called electroclinic effect (ECE) was first reported by Garoff and Meyer in 1977 and attracted substantial scientific and technological interest due to its linear and submicrosecond electro-optic response [S. Garoff and R. B. Meyer, Phys. Rev. A 19, 338 (1979), 10.1103/PhysRevA.19.338]. We now report the observation of an ECE in the pretransitional regime from a lyotropic chiral lamellar Lα* phase into a lyo-Sm -C* phase, the lyotropic analog to the thermotropic Sm -C* phase which was recently discovered by Bruckner et al. [Angew. Chem. Int. Ed. 52, 8934 (2013), 10.1002/anie.201303344]. We further show that the observed ECE has all signatures of its thermotropic counterpart, namely (i) the effect is chiral in nature and vanishes in the racemic Lα phase, (ii) the effect is essentially linear in the sign and magnitude of the electric field, and (iii) the magnitude of the effect diverges hyperbolically as the temperature approaches the critical temperature of the second order tilting transition. Specific deviations between the ECEs in chiral lamellar and chiral smectic phases are related to the internal field screening effect of electric double layers formed by inevitable ionic impurities in lyotropic phases.

Microwave Three-Wave Mixing Experiments for Chirality Determination: Current Status

NASA Astrophysics Data System (ADS)

Perez, Cristobal; Shubert, V. Alvin; Schmitz, David; Medcraft, Chris; Krin, Anna; Schnell, Melanie

2015-06-01

Microwave three-wave mixing experiments have been shown to provide a novel and sensitive way to generate and measure enantiomer-specific molecular signatures. The handedness of the sample can be obtained from the phase of the molecular free induction decay whereas the enantiomeric excess can be determined by the amplitude of the chiral signal. After the introduction of this technique by Patterson et al. remarkable improvements have been realized and experimental strategies for both absolute phase determination and enantiomeric excess have been presented. This technique has been also successfully implemented at higher microwave frequencies. Here we present the current status of this technique as well future directions and perspectives. This will be illustrated through our systematic study of chiral terpenes as well as preliminary results in molecular clusters. Patterson, D.; Schnell, M.; Doyle, J. M. Enantiomer-Specific Detection of Chiral Molecules via Microwave Spectroscopy. Nature 2013, 497, 475-477. Patterson, D.; Doyle, J. M. Sensitive Chiral Analysis via Microwave Three-Wave Mixing. Phys. Rev. Lett. 2013, 111, 023008. Shubert, V. A.; Schmitz, D.; Patterson, D.; Doyle, J. M.; Schnell, M. Identifying Enantiomers in Mixtures of Chiral Molecules with Broadband Microwave Spectroscopy. Angew. Chem. Int. Ed. 2014, 53, 1152-1155. Lobsiger, S.; Perez, C.; Evangelisti, L.; Lehmann, K. K.; Pate, B. H. Molecular Structure and Chirality Detection by Fourier Transform Microwave Spectroscopy. J. Phys. Chem. Lett. 2014, 6, 196-200.

Review Article: Unraveling synergistic effects in plasma-surface processes by means of beam experiments

PubMed Central

von Keudell, Achim; Corbella, Carles

2017-01-01

The interaction of plasmas with surfaces is dominated by synergistic effects between incident ions and radicals. Film growth is accelerated by the ions, providing adsorption sites for incoming radicals. Chemical etching is accelerated by incident ions when chemical etching products are removed from the surface by ion sputtering. The latter is the essence of anisotropic etching in microelectronics, as elucidated by the seminal paper of Coburn and Winters [J. Appl. Phys. 50, 3189 (1979)]. However, ion-radical-synergisms play also an important role in a multitude of other systems, which are described in this article: (1) hydrocarbon thin film growth from methyl radicals and hydrogen atoms; (2) hydrocarbon thin film etching by ions and reactive neutrals; (3) plasma inactivation of bacteria; (4) plasma treatment of polymers; and (5) oxidation mechanisms during reactive magnetron sputtering of metal targets. All these mechanisms are unraveled by using a particle beam experiment to mimic the plasma–surface interface with the advantage of being able to control the species fluxes independently. It clearly shows that the mechanisms in action that had been described by Coburn and Winters [J. Appl. Phys. 50, 3189 (1979)] are ubiquitous. PMID:29104360

FOREWORD: Some thoughts about Jürgen Hafner's work in computational materials science Some thoughts about Jürgen Hafner's work in computational materials science

NASA Astrophysics Data System (ADS)

Heine, Volker

2011-10-01

Jürgen Hafner started in the early 1970s with pseudopotential calculations on the structures and properties of sp-bonded metals, improving on work done elsewhere [1]. This expanded in four directions: transition metals, molten metals, magnetism and alloys, and combinations of these. As well as electronic structure calculations, he helped to advance the statistical mechanical classical theory of liquids for the molten metals [2]. In magnetism he was one of the pioneers of calculations with non-collinear spins [3, 4]. As well as simple (solid and molten) alloys, he also treated materials with strong chemical interaction such as sulphides and liquids such as arsenic and tellurium [5, 6]. All this fed into two directions which dominated much of his work for many years, namely the theory of glassy metals [7] and that of quasicrystals [8]. One notable result in the latter was to show that it was possible to construct hypothetical materials for which the quasicrystalline state is indeed the lowest energy structure. This displaced the established wisdom of the time that quasicrystals were necessarily metastable forms. In more recent years he has turned to calculations in surface science [9, 10], including catalysis of chemical reactions on surfaces [11, 12]. What really brought Jürgen first to my attention was that he had managed to do a better job than we had of calculations with the new approach of pseudopotentials, particularly regarding the screening part of the calculation. This is very important in alloys where there is a large difference in the electron density in the two types of atom due to their different volumes or valences such as in the phase diagram and structure of LiK or KPb [5, 13]. We have been in contact over many years including one close collaboration and I always learned something new in talking with Jürgen. In the late 1970s in Cambridge we performed phonon calculations on models of amorphous silicon [14], to see if these could distinguish between different models such as those with or without odd-membered rings of Si atoms. We used the so-called recursion method with force constants to near neighbours [15], and sampled the phonon density of modes projected onto individual atoms. This meant quite a large number of calculations were required to sample enough atoms out of the amorphous cluster. However Jürgen showed that it could be done much more simply when he became interested in the analogous problem of the phonon spectrum of his glassy metals. He calculated the phonon density of modes projected onto a vector spanning all the atoms but with random phases [16]. This summed coherently the local density of modes on all the atoms, which is what one wanted, plus off-diagonal parts with random phases which therefore cancelled to a good approximation and which could be further reduced by summing over a few such calculations varying the random phase factors. This greatly reduced the computational effort, and in practice meant that one could deal with larger and more realistic computer samples. A continuing common interest has been phase diagrams, particularly how structures vary with pressure (change of atomic volume) and with element in a column of the periodic table or in alloying [17]. In particular, the behaviour of the group IV elements under pressure can be plotted qualitatively on a universal phase diagram. Together we made calculations [18] characterizing sp-bonded elements (or 'virtual' elements in the virtual crystal approximation for alloys) by just three parameters, namely the valence Z, ion core radius Rc in the Ashcroft 'empty core' model of the pseudopotential, and volume (per atom) which can be varied with pressure. Of course such a model is grossly simplified, but for valence 3 the results showed well the transition for Z = 3 from the close-packed fcc structure in aluminum, through more open and distorted structures in gallium and indium, to a close-packed structure again in thallium. Hafner and his groups extended these studies to molten [19] and quasicrystalline metals. The stunning result was that among the distorted structures there was a region where quasicrystals were stable with the lowest energy among all the structures they tried and which had shown up elsewhere [20]. In addition to Jürgen Hafner's actual research work published in over 600 research papers, including numerous review articles, several contributions to books and one monograph, he has done a great deal to establish our field of electronic structure calculation as the basis for understanding materials in Austria and across Europe. The founding and expansion of the Computational Materials Science Centre (CMS) in Vienna owes much to him, as well as the development of the European Psi-k network where he served as acting chairman in 1997-1999. He has been one of the leaders of the 'Surfaces and Catalysis Working Group' of Psi-k, and the instigator of several 'Theory Meets Industry' workshops [21] to stimulate the transfer of our methodology to industrial problems. Jürgen Hafner has always aimed for the highest intellectual standards. His nose for finding the most advanced work going on elsewhere has resulted in many international cooperations, including some in the USA and Japan. His list of international joint research projects runs to many pages. This in turn has been a major contributor to European cooperation, and in making it now the leading area in the world for our field. Hafner's research has always been linked closely to understanding puzzling experimental results, and in this way he has helped to establish a good reputation for computational physics within the mainstream of condensed matter physics of materials. It has taken quite a long time to establish computer simulations as a respectable component of research in condensed matter physics. "It is not real theory" people sneered from one side, and "computer simulations are not like real experiments" from the other. In the late 1990s a young German said to me that one could never get a professorship of theoretical physics in Germany doing the kind of things that I have done during my life: maybe in 'materials physics' or 'applied physics' but not a chair in theoretical physics. I think the situation has changed now, with computer simulations making an essential contribution to research across diverse fields. Hafner's high intellectual standards have contributed a lot to help bring about this change in attitudes in Europe. Another aspect of Hafner's high standards has been that he was never a friend of big computing for the sake of computing. All the research has been guided by trying to achieve scientific understanding of puzzling results, and being closely allied to experimental findings. Thus he has been a favourite invited speaker at many conferences around the world. At this point I would like to add something more on this comment on high standards, which is also relevant to European cooperation. I often quote a remark by the late Sir Nevill Mott who was head of the Cavendish Lab when I was young: "In basic research, second class work is almost not worth doing." If the work is already behind the front line of research when it is being done, it is not likely to contribute much to moving that frontier forward which is what basic research is about. Jürgen Hafner has always sought out the most advanced work anywhere in the world that is relevant to his projects, which has brought him into many international collaborations. He has recognized clearly that any one European country is not a large enough unit to have all the latest expertise in our subject, and this has led him to help build up strong European cooperation through the Psi-k European network already mentioned. Other people will know better than I do the large number of graduate students who have passed through Jürgen Hafner's hands, many continuing in on-going research collaborations. In this regard the special connection of Hafner's group, and the Computational Materials Science Centre generally, with the surrounding countries of Central Europe has been of great importance to science in those countries, particularly during the communist era. As well as his major fields of research interest that I have mentioned, one sees on his publication list several forays into applying our methodology in other areas of science. In particular there are papers on silicate minerals and zeolites, on fullerenes and some biological applications to rhodopsin, which is the light-sensitive material in the eye. In conclusion, there is an enormous amount to celebrate in the scientific contributions of Professor Jürgen Hafner and his personal group and the Vienna Computational Materials Science Centre which he has fostered. References [1] Hafner J and Nowotny H 1971 A first principles calculation of binding energies, structures, and lattice constants of simple metals Phys. Lett. A 37 335-6 [2] Hafner J 1977 Structure and thermodynamics of liquid metals and alloys Phys. Rev. A 16 351-64 [3] Lorenz R and Hafner J 1995 Noncollinear magnetic structures in amorphous iron and iron-based alloys J. Magn. Magn. Mater. 139 209-27 [4] Hobbs D, Kresse G and Hafner J 2000 Fully unconstrained noncollinear magnetism within the projector augmented-wave method Phys. Rev. B 62 11556-73 [5] Hafner J 1989 The structure of liquid arsenic: Peierls distortion versus Friedel modulation Phys. Rev. Lett. 62 784-7 [6] Hafner J 1990 Structure of liquid tellurium: entangled, broken chains J. Phys.: Condens. Matter 2 1271-80 [7] Hafner J 1986 Electronic aspects of the structure and of the glass-forming ability of metallic alloys Amorphous Metals and Semiconductors ed P Haasen and R I Jaffee (Oxford: Pergamon) pp 151-67 [8] Hafner J and Krajčí M 1999 Quasicrystals: elementary excitations and physical properties Physical Properties of Quasicrystals (Solid State Science Series vol 126) ed Z M Stadnik (Berlin: Springer) pp 209-56 [9] Furthmüller J, Hafner J and Kresse G 1994 Structral and electronic properties of clean and hydrogenated diamond (100) surfaces Europhys. Lett. 28 659-64 [10] Krajčí and Hafner J 2008 Ab-initio studies of quasicrystalline surfaces Quasicrystals (Handbook of Metal Physics vol 2) ed T Fujiwara and Y Ishii (Amsterdam: Elsevier) chapter 9, pp 313-55 [11] Raybaud P, Hafner J, Kresse G, Kasztelan S and Toulhoat H 2000 Structure, energetics and electronic properties of the surface of a promoted MoS2 catalyst: an ab-initio local-density-functional study J. Catalysis 190 128-43 [12] Hafner J, Benco L and Bucko T 2006 Acid-based catalysis in zeolites investigated by density-functional methods Top. Catalysis 37 41-54 [13] Hafner J 1989 Formation of polyanionic clusters in liquid potassium-lead alloys: a molecular-dynamics study J. Phys.: Condens. Matter 1 1133-40 [14] Meeks P E 1976 Vibrational spectra and topological structure of tetrahedrally bonded amorphous semiconductors Phil. Mag. 33 897-908 [15] See articles by Heine V, Bullet D, Haydock R and Kelly M J 1980 Solid State Physics—Advances in Research and Applications vol 35, ed H Ehrenreich, D Turnbull and F Seitz (New York: Academic) [16] Hafner J 1980 The dynamical properties of metallic glasses Liquids and Amorphous Metals (NATO-ASI Ser. E vol 36) ed E Lüscher and H Coufal (Sijthoff and Nordhoff: Alpen van Rijn) pp 199-209 [17] Hafner J 1987 From Hamiltonians to Phase Diagrams—The Electronic and Statistical-Mechanical Theory of sp-Bonded Metals and Alloys (Solid State Sciences Series vol 70) (Berlin: Springer) p 415 [18] Hafner J and Heine V 1983 The crystal structure of the elements: pseudopotential theory revisited J. Phys. F: Met. Phys. 13 2479-501 [19] Hafner J and Kahl G 1984 The structure of the elements in the liquid state J. Phys. F: Met. Phys. 14 2259-78 [20] Denton A R and Hafner J 1997 Thermodynamically stable one-component quasicrystals: a density-functional survey of relative stabilities Phys. Rev. B 56 2469-82 [21] Hafner J (ed) 2008 J. Phys.: Condens. Matter 20 (special issue) Tanaka I, Hafner J, Wimmer E and Asahi R (eds) 2010 J. Phys.: Condens. Matter 22 (special issue)

Molecular imprinted hydrogel polymer (MIHP) as microbial immobilization media in artificial produced water treatment

NASA Astrophysics Data System (ADS)

Kardena, E.; Ridhati, S. L.; Helmy, Q.

2018-01-01

Produced water generated during oil and gas exploration and drilling, consists of many chemicals which used in drilling process. The production of produced water is over three fold of the oil production. The water-cut has increased over time and continues to do so because the fraction of oil in the reservoir decreases and it is more difficult to get the oil out from an old oil-field. It therefore requires more sea water to be injected in order to force the oil out; hence more produced water is generated. Produced water can pollute the environment if it is not treated properly. In this research, produced water will be treated biologically using bacterial consortium which is isolated from petroleum processing facility with Molecular Imprinted Hydrogel Polymer (MIHP) for microbial immobilization media. Microbial growth rate is determined by measuring the MLVSS and hydrogel mass, also by SEM-EDS analysis. SEM-EDS analysis is an analysis to evidence the presence of microbe trapped in hydrogel, and also to determine the types and weight of the molecules of hydrogel. From this research, suspended microbial growth rate was found at 0.1532/days and attached microbial growth rate was 0.3322/days. Furthermore, based on SEM analysis, microbe is entrapped inside the hydrogel. Effectiveness of microbial degradation activity was determined by measuring organic materials as COD. Based on COD measurement, degradation rate of organic materials in wastewater is 0.3089/days, with maximum COD removal efficiency of 76.67%.

A Semi-Degradable Composite Scaffold for Articular Cartilage Defects

PubMed Central

Scholten, Paul M.; Ng, Kenneth W.; Joh, Kiwon; Serino, Lorenzo P.; Warren, Russell F.; Torzilli, Peter A.; Maher, Suzanne A.

2010-01-01

Few options exist to replace or repair damaged articular cartilage. The optimal solution that has been suggested is a scaffold that can carry load and integrate with surrounding tissues; but such a construct has thus far been elusive. The objectives of this study were to manufacture and characterize a non-degradable hydrated scaffold. Our hypothesis was that the polymer content of the scaffold can be used to control its mechanical properties, while an internal porous network augmented with biological agents can facilitate integration with the host tissue. Using a two-step water-in-oil emulsion process a porous poly-vinyl alcohol (PVA) hydrogel scaffold combined with alginate microspheres was manufactured. The scaffold had a porosity of 11–30% with pore diameters of 107–187 μm, which readily allowed for movement of cells through the scaffold. Alginate microparticles were evenly distributed through the scaffold and allowed for the slow release of biological factors. The elastic modulus (Es) and Poisson’s ratio (υ), Aggregate modulus (Ha) and dynamic modulus (ED) of the scaffold were significantly affected by % PVA, as it varied from 10% to 20% wt/vol. Es and υ were similar to that of articular cartilage for both polymer concentrations, while Ha and ED were similar to that of cartilage only at 20% PVA. The ability to control scaffold mechanical properties, while facilitating cellular migration suggest that this scaffold is a potentially viable candidate for the functional replacement of cartilage defects. PMID:21308980

The Use Of Fluorescence Quenching To Measure Oxygen Concentration

NASA Astrophysics Data System (ADS)

Cox, M. E.; Dunn, B.

1986-01-01

The method of fluorescence quenching is used to measure the concentration of molecular oxygen. The method is rapid, reversible, and does not consume oxygen. The method may provide the basis for a unique biomedical sensor. The key to developing such a device lies in the choice of a fluorophor/polymer composite matrix having the desired optical and transport properties. Experimental results will be presented for certain parameters essential for assessing device development. The properties of interest include the kinetics of fluorescence quenching, the biomolecular rate constants, the temperature dependence of oxygen solubility and diffusivity in the composite matrix, and the oxygen diffusion coefficient. Poly(dimethyl siloxane) [PDMS] was chosen as the polymer host because it is biocompatible, hydrophobic, has a high diffusivity for the simple gases, and is easily bonded to fused silica. 9,10-diphenyl anthracene [9,10-D] was selected since it is readily soluble in a number of organic solvents, has an excitation spectrum in the near UV, an emission spectrum in the visible, a long fluorescence lifetime, and a high quantum yield. When incorporated into PDMS, the optical spectra of 9,10-D does not alter appreciably. The response time of the device is determined by the solution/diffusion kinetics of oxygen in PDMS. The solubility of oxygen in PDMS decreases with increasing temperature and an enthalpy of solution of off = -3.0 kcal/mole. (1) The diffusion of oxyzen in PDMS is found to obey an Arrhenius relation over the temperature range of 5'C to 450C with D = Do exp (-ED/RT) (2) where Do = 0.115 cm2/s (3) and ED = 4.77 kcal/mole. (4) Results of these studies indicate that an appropriate device, based on a fluorophor/polymer composite, for the measurement of oxygen concentration should be sensitive over those ranges which are important for physiological monitoring.

Facile hydrophobicity/hydrophilicity modification of SMP surface based on metal constrained cracking

NASA Astrophysics Data System (ADS)

Han, Yu; Li, Peng; Zhao, Liangyu; Wang, Wenxin; Leng, Jinsong; Jin, Peng

2015-04-01

This study demonstrates an easy way to change surface characteristics, the water contact angle on styrene based shape memory polymer (SMP) surface alters before and after cracking formation and recovery. The contact angle of water on the original SMP surface is about 85 degree, after coating with Al and then kneading from side face at glass transition temperature Tg, cracking appeared both on Al film and SMP; cooling down and removing the Al film, cracks remain on SMP surface while the contact angle reduced to about 25 degree. When reheated above Tg, the cracks disappeared, and the contact angle go back to about 85 degree. The thin Al film bonded on SMP surface was coated by spurting, that constrains the deformation of SMP. Heating above Tg, there are complex interactions between soft SMP and hard metal film under kneading. The thin metal film cracked first with the considerable deformation of soft polymer, whereafter, the polymer was ripped by the metal cracks thus polymer cracked as well. Cracks on SMP can be fixed cooling down Tg, while reheated, cracks shrinking and the SMP recovers to its original smooth surface. Surface topography changed dramatically while chemical composition showed no change during the deformation and recovery cycle, as presented by SEM and EDS. Furthermore, the wetting cycle is repeatable. This facile method can be easily extended to the hydropobicity/hydrophilicity modification of other stimuli-responsive polymers and put forward many potential applications, such as microfluidic switching and molecule capture and release.

Detection of basal acetylcholine release in the microdialysis of rat frontal cortex by high-performance liquid chromatography using a horseradish peroxidase-osmium redox polymer electrode with pre-enzyme reactor.

PubMed

Kato, T; Liu, J K; Yamamoto, K; Osborne, P G; Niwa, O

1996-06-28

To determine the basal acetylcholine level in the dialysate of rat frontal cortex, a horseradish peroxidase-osmium redox polymer-modified glassy carbon electrode (HRP-GCE) was employed instead of the conventional platinum electrode used in high-performance liquid chromatography-electrochemical detection (HPLC-ED). In initial experiments, an oxidizable unknown compound interfered with the detection of basal acetylcholine release on HPLC-HRP-GCE. An immobilized peroxidase-choline oxidase precolumn (pre-reactor) was included in the HPLC system, to eliminate the interference from the unknown compound. This combination could detect less than 10 fmol of standard acetylcholine and basal acetylcholine levels in the dialysate from a conventional concentric design microdialysis probe, without the use of cholinesterase inhibitor, and may facilitate physiological investigation of cholinergic neuronal activity in the central nervous system.

SiCO-doped carbon fibers with unique dual superhydrophilicity/superoleophilicity and ductile and capacitance properties.

PubMed

Lu, Ping; Huang, Qing; Mukherjee, Amiya; Hsieh, You-Lo

2010-12-01

Silicon oxycarbide (SiCO) glass-doped carbon fibers with an average diameter of 163 nm were successfully synthesized by electrospinning polymer mixtures of preceramic precursor polyureasilazane (PUS) and carbon precursor polyacrylonitrile (PAN) into fibers then converting to ceramic/carbon hybrid via cross-linking, stabilization, and pyrolysis at temperatures up to 1000 °C. The transformation of PUS/PAN polymer precursors to SiCO/carbon structures was confirmed by EDS and FTIR. Both carbon and SiCO/carbon fibers were amorphous and slightly oxidized. Doping with SiCO enhanced the thermal stability of carbon fibers and acquired new ductile behavior in the SiCO/carbon fibers with significantly improved flexibility and breaking elongation. Furthermore, the SiCO/carbon fibers exhibited dual superhydrophilicity and superoleophilicity with water and decane absorbing capacities of 873 and 608%, respectively. The cyclic voltammetry also showed that SiCO/carbon composite fibers possess better capacitor properties than carbon fibers.

Unusually large acrylamide induced effect on the droplet size in AOT/Brij30 water-in-oil microemulsions.

PubMed

Poulsen, Allan K; Arleth, Lise; Almdal, Kristoffer; Scharff-Poulsen, Anne Marie

2007-02-01

Droplet microemulsions are widely used as templates for controlled synthesis of nanometer sized polymer gel beads for use as, e.g., nanobiosensors. Here we examine water-in-oil microemulsions typically used for preparation of sensors. The cores of the microemulsion droplets are constituted by an aqueous component consisting of water, reagent monomer mixture, buffer salts, and the relevant dyes and/or enzymes. The cores are encapsulated by a mixture of the surfactants Brij30 and AOT and the resulting microemulsion droplets are suspended in a continuous hexane phase. The size of the final polymer particles may be of great importance for the applications of the sensors. Our initial working hypothesis was that the size of the droplet cores and therefore the size of the synthesized polymer gel beads could be controlled by the surfactant-to-water ratio of the template microemulsion. In the present work we have tested this hypothesis and investigated how the monomers and the ratio between the two surfactants affect the size of the microemulsion droplets and the microemulsion domain. We find that the monomers in water have a profound effect on the microemulsion domain as well as on the size of the microemulsion droplets. The relation between microemulsion composition and droplet size is in this case more complicated than assumed in standard descriptions of microemulsions [R. Strey, Colloid Polym. Sci. 272 (1994) 1005-1019; I. Danielsson, B. Lindman, Colloids Surf. 3 (1981) 391-392; Y. Chevalier, T. Zemb, Rep. Progr. Phys. 53 (1990) 279-371].

A low switching voltage organic-on-inorganic heterojunction memory element utilizing a conductive polymer fuse on a doped silicon substrate

NASA Astrophysics Data System (ADS)

Smith, Shawn; Forrest, Stephen R.

2004-06-01

We present a simple, nonvolatile, write-once-read-many-times (WORM) memory device utilizing an organic-on-inorganic heterojunction (OI-HJ) diode with a conductive polymer fuse consisting of polyethylene dioxythiophene:polysterene sulfonic acid (PEDOT:PSS) forming one side of the rectifying junction. Current transients are used to change the fuse from a conducting to a nonconducting state to record a logical "1" or "0", while the nonlinearity of the OI-HJ allows for passive matrix memory addressing. The device switches at 2 and 4 V for 50 nm thick PEDOT:PSS films on p-type Si and n-type Si, respectively. This is significantly lower than the switching voltage used in PEDOT:PSS/p-i-n Si memory elements [J. Appl Phys. 94, 7811 (2003)]. The switching results in a permanent reduction of forward-bias current by approximately five orders of magnitude. These results suggest that the OI-HJ structure has potential for use in low-cost passive matrix WORM memories for archival storage applications.

Diblock copolymers of polystyrene- b-poly(1,3-cyclohexadiene) exhibiting unique three-phase microdomain morphologies

DOE PAGES

Misichronis, Konstantinos; Chen, Jihua; Kahk, Jong K.; ...

2016-03-29

Here, the synthesis and molecular characterization of a series of conformationally asymmetric polystyrene-block-poly(1,3-cyclohexadiene) (PS- b-PCHD) diblock copolymers (PCHD: ~90% 1,4 and ~10% 1,2), by sequential anionic copolymerization high vacuum techniques, is reported. A wide range of volume fractions (0.27 ≤ Φ PS ≤ 0.91) was studied by transmission electron microscopy and small-angle X-ray scattering in order to explore in detail the microphase separation behavior of these flexible/semiflexible diblock copolymers. Unusual morphologies, consisting of PCHD core(PCHD-1,4)–shell(PCHD-1,2) cylinders in PS matrix and three-phase (PS, PCHD-1,4, PCHD-1,2) four-layer lamellae, were observed suggesting that the chain stiffness of the PCHD block and the strongmore » dependence of the interaction parameter χ on the PCHD microstructures are important factors for the formation of this unusual microphase separation behavior in PS- b-PCHD diblock copolymers. © 2016 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2016, 54, 1564–1572« less

Polymer extension under flow: Some statistical properties of the work distribution function

NASA Astrophysics Data System (ADS)

Ghosal, Aishani; Cherayil, Binny J.

2016-11-01

In an extension of earlier studies from this group on the application of the Jarzynski equality to the determination of the elastic properties of a finitely extensible Rouse model of polymers under flow [A. Ghosal and B. J. Cherayil, J. Chem. Phys. 144, 214902 (2016)], we derive several new theoretical results in this paper on the nature of the distribution function P (w ) that governs the long-time limit t >>1 of the fluctuations in the work w performed by the polymer during flow-induced stretching. In particular, we show that an expression for the average of the nth power of the work, ⟨wn(t ) ⟩ , can be obtained in closed form in this limit, making it possible to exactly calculate three important statistical measures of P (w ) : the mean μ, the skewness γ1, and the kurtosis γ2 (apart from the variance σ2). We find, for instance, that to leading order in t, the mean grows linearly with t at a constant value of the dimensionless flow rate Wi and that the slope of the μ -t curve increases with increasing Wi. These observations are in complete qualitative agreement with data from Brownian dynamics simulations of flow-driven double-stranded DNA by Latinwo and Schroeder [Macromolecules 46, 8345 (2013)]. We also find that the skewness γ1 exhibits an interesting inversion of sign as a function of Wi, starting off at positive values at low Wi and changing to negative values at larger Wi. The inversion takes place in the vicinity of what we interpret as a coil-stretch transition. Again, the finding exactly reproduces behavior seen in other numerical and experimental work by the above group Latinwo et al. [J. Chem. Phys. 141, 174903 (2014)]. Additionally, at essentially the same value of Wi at which this sign inversion takes place, we observe that the kurtosis reaches a minimum, close to 1, providing further evidence of the existence of a coil-stretch transition at this location. Our calculations reproduce another numerical finding: a power law dependence on Wi of the rate of work production that is characterized by two distinct regimes, one lying below the putative coil-stretch transition, where the exponent assumes one value, and the other above, where it assumes a second.

An elasto-viscoplastic interface model for investigating the constitutive behavior of nacre

NASA Astrophysics Data System (ADS)

Tang, H.; Barthelat, F.; Espinosa, H. D.

2007-07-01

In order to better understand the strengthening mechanism observed in nacre, we have developed an interface computational model to simulate the behavior of the organic present at the interface between aragonite tablets. In the model, the single polymer-chain behavior is characterized by the worm-like-chain (WLC) model, which is in turn incorporated into the eight-chain cell model developed by Arruda and Boyce [Arruda, E.M., Boyce, M.C., 1993a. A three-dimensional constitutive model for the large stretches, with application to polymeric glasses. Int. J. Solids Struct. 40, 389-412] to achieve a continuum interface constitutive description. The interface model is formulated within a finite-deformation framework. A fully implicit time-integration algorithm is used for solving the discretized governing equations. Finite element simulations were performed on a representative volume element (RVE) to investigate the tensile response of nacre. The staggered arrangement of tablets and interface waviness obtained experimentally by Barthelat et al. [Barthelat, F., Tang, H., Zavattieri, P.D., Li, C.-M., Espinosa, H.D., 2007. On the mechanics of mother-of-pearl: a key feature in the material hierarchical structure. J. Mech. Phys. Solids 55 (2), 306-337] was included in the RVE simulations. The simulations showed that both the rate-dependence of the tensile response and hysteresis loops during loading, unloading and reloading cycles were captured by the model. Through a parametric study, the effect of the polymer constitutive response during tablet-climbing and its relation to interface hardening was investigated. It is shown that stiffening of the organic material is not required to achieve the experimentally observed strain hardening of nacre during tension. In fact, when ratios of contour length/persistent length experimentally identified are employed in the simulations, the predicted stress-strain behavior exhibits a deformation hardening consistent with the one measured experimentally and also captured by the phenomenological cohesive model used in the study carried out by Barthelat et al. [Barthelat, F., Tang, H., Zavattieri, P.D., Li, C.-M., Espinosa, H.D., 2007. On the mechanics of mother-of-pearl: a key feature in the material hierarchical structure. J. Mech. Phys. Solids 55 (2), 306-337]. The simulation results also reveal that the bulk modulus of the polymer controls the rate of hardening, feature not captured by more simple cohesive laws.

Energetics in a model of prebiotic evolution

NASA Astrophysics Data System (ADS)

Intoy, B. F.; Halley, J. W.

2017-12-01

Previously we reported [A. Wynveen et al., Phys. Rev. E 89, 022725 (2014), 10.1103/PhysRevE.89.022725] that requiring that the systems regarded as lifelike be out of chemical equilibrium in a model of abstracted polymers undergoing ligation and scission first introduced by Kauffman [S. A. Kauffman, The Origins of Order (Oxford University Press, New York, 1993), Chap. 7] implied that lifelike systems were most probable when the reaction network was sparse. The model was entirely statistical and took no account of the bond energies or other energetic constraints. Here we report results of an extension of the model to include effects of a finite bonding energy in the model. We studied two conditions: (1) A food set is continuously replenished and the total polymer population is constrained but the system is otherwise isolated and (2) in addition to the constraints in (1) the system is in contact with a finite-temperature heat bath. In each case, detailed balance in the dynamics is guaranteed during the computations by continuous recomputation of a temperature [in case (1)] and of the chemical potential (in both cases) toward which the system is driven by the dynamics. In the isolated case, the probability of reaching a metastable nonequilibrium state in this model depends significantly on the composition of the food set, and the nonequilibrium states satisfying lifelike condition turn out to be at energies and particle numbers consistent with an equilibrium state at high negative temperature. As a function of the sparseness of the reaction network, the lifelike probability is nonmonotonic, as in our previous model, but the maximum probability occurs when the network is less sparse. In the case of contact with a thermal bath at a positive ambient temperature, we identify two types of metastable nonequilibrium states, termed locally and thermally alive, and locally dead and thermally alive, and evaluate their likelihood of appearance, finding maxima at an optimal temperature and an optimal degree of sparseness in the network. We use a Euclidean metric in the space of polymer populations to distinguish these states from one another and from fully equilibrated states. The metric can be used to characterize the degree and type of chemical equilibrium in observed systems, as we illustrate for the proteome of the ribosome.

Two Photon Absorption in a Novel Nano-optical Material Based on the Nonconjugated Conductive Polymer, Poly(beta-pinene)

NASA Astrophysics Data System (ADS)

Titus, Jitto; Thakur, Mrinal

2006-03-01

As recently reported, the electrical conductivity of the nonconjugated polymer, poly(beta-pinene) increases by more than ten orders of magnitude upon doping with iodine [1]. The FTIR, optical absorption and EPR measurements have shown that radical cations are formed upon doping and charge-transfer involving the isolated double-bond in poly(beta-pinene). In this report, exceptionally large two-photon absorption in iodine-doped poly(beta-pinene) will be discussed. The linear absorption spectrum of medium-doped poly(beta-pinene) have peaks at about 4 eV and 3.1 eV. The first peak is due to the radical cation and the second due to the charge-transfer between the double bond and the dopant. The two-photon absorption of the medium-doped polymer has been measured at 730-860 nm using open-aperture z-scan with 150 femtosecond pulses from a Ti:Sapphire laser. A two-photon peak at about 1.5 eV with a magnitude of more than 1 cm/MW has been observed. The large magnitude of the two-photon absorption coefficient which is proportional to the imaginary part of the third order susceptibility has been attributed to the special structure of the radical cation and the confinement within a sub-nanometer dimension. [1] Vippa, Rajagopalan and Thakur, J. Poly. Sci. Part B: Poly. Phys., 43, 3695 (2005).

Reduced electron exposure for energy-dispersive spectroscopy using dynamic sampling

DOE PAGES

Zhang, Yan; Godaliyadda, G. M. Dilshan; Ferrier, Nicola; ...

2017-10-23

Analytical electron microscopy and spectroscopy of biological specimens, polymers, and other beam sensitive materials has been a challenging area due to irradiation damage. There is a pressing need to develop novel imaging and spectroscopic imaging methods that will minimize such sample damage as well as reduce the data acquisition time. The latter is useful for high-throughput analysis of materials structure and chemistry. Here, in this work, we present a novel machine learning based method for dynamic sparse sampling of EDS data using a scanning electron microscope. Our method, based on the supervised learning approach for dynamic sampling algorithm and neuralmore » networks based classification of EDS data, allows a dramatic reduction in the total sampling of up to 90%, while maintaining the fidelity of the reconstructed elemental maps and spectroscopic data. In conclusion, we believe this approach will enable imaging and elemental mapping of materials that would otherwise be inaccessible to these analysis techniques.« less

Mitigation of Biofilm Formation on Corrugated Cardboard Fresh Produce Packaging Surfaces Using a Novel Thiazolidinedione Derivative Integrated in Acrylic Emulsion Polymers.

PubMed

Brandwein, Michael; Al-Quntar, Abed; Goldberg, Hila; Mosheyev, Gregory; Goffer, Moshe; Marin-Iniesta, Fulgencio; López-Gómez, Antonio; Steinberg, Doron

2016-01-01

Various surfaces associated with the storage and packing of food are known to harbor distinct bacterial pathogens. Conspicuously absent among the plethora of studies implicating food packaging materials and machinery is the study of corrugated cardboard packaging, the worldwide medium for transporting fresh produce. In this study, we observed the microbial communities of three different store-bought fruits and vegetables, along with their analog cardboard packaging using high throughput sequencing technology. We further developed an anti-biofilm polymer meant to coat corrugated cardboard surfaces and mediate bacterial biofilm growth on said surfaces. Integration of a novel thiazolidinedione derivative into the acrylic emulsion polymers was assessed using Energy Dispersive X-ray Spectrometry (EDS) analysis and surface topography was visualized and quantified on corrugated cardboard surfaces. Biofilm growth was measured using q-PCR targeting the gene encoding 16s rRNA. Additionally, architectural structure of the biofilm was observed using SEM. The uniform integration of the thiazolidinedione derivative TZD-6 was confirmed, and it was determined via q-PCR to reduce biofilm growth by ~80% on tested surfaces. A novel and effective method for reducing microbial load and preventing contamination on food packaging is thereby proposed.

Scanning method as an unbiased simulation technique and its application to the study of self-attracting random walks

NASA Astrophysics Data System (ADS)

Meirovitch, Hagai

1985-12-01

The scanning method proposed by us [J. Phys. A 15, L735 (1982); Macromolecules 18, 563 (1985)] for simulation of polymer chains is further developed and applied, for the first time, to a model with finite interactions. In addition to ``importance sampling,'' we remove the bias introduced by the scanning method with a procedure suggested recently by Schmidt [Phys. Rev. Lett. 51, 2175 (1983)]; this procedure has the advantage of enabling one to estimate the statistical error. We find these two procedures to be equally efficient. The model studied is an N-step random walk on a lattice, in which a random walk i has a statistical weight &, where p<1 is an attractive energy parameter and Mi is the number of distinct sites visited by walk i. This model, which corresponds to a model of random walks moving in a medium with randomly distributed static traps, has been solved analytically for N-->∞ for any dimension d by Donsker and Varadhan (DV) and by others. and lnφ, where φ is the survival probability in the trapping problem, diverge like Nα with α=d/(d+2). Most numerical studies, however, have failed to reach the DV regime in which d/(d+2) becomes a good approximation for α. On the other hand, our results for α (obtained for N<=150) are close to the DV values for p<=0.7 and p<=0.6 for d=2 and 3, respectively. This suggests that the scanning method is more efficient than both the commonly used direct Monte Carlo technique, and the Rosenbluth and Rosenbluth method [J. Chem. Phys. 23, 356 (1954)]. Our results support the conclusion of Havlin et al. [Phys. Rev. Lett. 53, 407 (1984)] that the DV regime exists already for φ<=10-13 for both d=2 and 3. We also find that at the percolation threshold pc the exponents for the end-to-end distance are small, but larger than zero, and that the probability of a walk returning to the origin behaves approximately as N-1/3 for both d=2 and 3.

Molecular Symmetry Analysis of Low-Energy Torsional and Vibrational States in the S_{0} and S_{1} States of p-XYLENE to Interpret the Rempi Spectrum

NASA Astrophysics Data System (ADS)

Groner, Peter; Gardner, Adrian M.; Tuttle, William Duncan; Wright, Timothy G.

2017-06-01

The electronic transition S_{1} ← S_{0} of p-xylene (pXyl) has been observed by REMPI spectroscopy. Its analysis required a detailed investigation of the molecular symmetry of pXyl whose methyl groups are almost free internal rotors. The molecular symmetry group of pXyl has 72 operators. This group, called [33]D_{2h}, is isomorphic to G_{36}(EM), the double group for ethane and dimethyl acetylene even though it is NOT a double group for pXyl. Loosely speaking, the group symbol, [33]D_{2h}, indicates that is for a molecule with two threefold rotors on a molecular frame with D_{2h} point group symmetry. The transformation properties of the (i) free internal rotor basis functions for the torsional coordinates, (ii) the asymmetric rotor (Wang) basis functions for the Eulerian angles, (iii) nuclear spin functions, (iv) potential function, and (v) transitions dipole moment functions were determined. The forms of the torsional potential in the S_{0} and S_{1} states and the dependence of the first order torsional splittings on the potential coefficients have been obtained. AM Gardner, WD Tuttle, P. Groner, TG Wright, J. Chem. Phys., submitted Dec 2016 P Groner, JR Durig, J. Chem. Phys., 66 (1977) 1856 PR Bunker, P Jensen, Molecular Symmetry and Spectroscopy (1998, NRC Research Press, Ottawa, 2nd ed.)

Polymer-Based Reconstruction of the Inferior Vena Cava in Rat: Stem Cells or RGD Peptide?

PubMed Central

Pontailler, Margaux; Illangakoon, Eranka; Williams, Gareth R.; Marijon, Camille; Bellamy, Valérie; Balvay, Daniel; Autret, Gwenhael; Vanneaux, Valérie; Larghero, Jérôme; Planat-Benard, Valérie; Perier, Marie-Cécile; Bruneval, Patrick; Menasché, Philippe

2015-01-01

As part of a program targeted at developing a resorbable valved tube for replacement of the right ventricular outflow tract, we compared three biopolymers (polyurethane [PU], polyhydroxyalkanoate (the poly(3-hydroxybutyrate-co-3-hydroxyvalerate-co-4-hydroxyvalerate) [PHBVV]), and polydioxanone [PDO]) and two biofunctionalization techniques (using adipose-derived stem cells [ADSCs] or the arginine-glycine-aspartate [RGD] peptide) in a rat model of partial inferior vena cava (IVC) replacement. Fifty-three Wistar rats first underwent partial replacement of the IVC with an acellular electrospun PDO, PU, or PHBVV patch, and 31 nude rats subsequently underwent the same procedure using a PDO patch biofunctionalized either by ADSC or RGD. Results were assessed both in vitro (proliferation and survival of ADSC seeded onto the different materials) and in vivo by magnetic resonance imaging (MRI), histology, immunohistochemistry [against markers of vascular cells (von Willebrand factor [vWF], smooth muscle actin [SMA]), and macrophages ([ED1 and ED2] immunostaining)], and enzyme-linked immunosorbent assay (ELISA; for the expression of various cytokines and inducible NO synthase). PDO showed the best in vitro properties. Six weeks after implantation, MRI did not detect significant luminal changes in any group. All biopolymers were evenly lined by vWF-positive cells, but only PDO and PHBVV showed a continuous layer of SMA-positive cells at 3 months. PU patches resulted in a marked granulomatous inflammatory reaction. The ADSC and RGD biofunctionalization yielded similar outcomes. These data confirm the good biocompatibility of PDO and support the concept that appropriately peptide-functionalized polymers may be successfully substituted for cell-loaded materials. PMID:25611092

Thickness-dependent spontaneous dewetting morphology of ultrathin Ag films.

PubMed

Krishna, H; Sachan, R; Strader, J; Favazza, C; Khenner, M; Kalyanaraman, R

2010-04-16

We show here that the morphological pathway of spontaneous dewetting of ultrathin Ag films on SiO2 under nanosecond laser melting is dependent on film thickness. For films with thickness h of 2 nm < or = h < or = 9.5 nm, the morphology during the intermediate stages of dewetting consisted of bicontinuous structures. For films with 11.5 nm < or = h < or = 20 nm, the intermediate stages consisted of regularly sized holes. Measurement of the characteristic length scales for different stages of dewetting as a function of film thickness showed a systematic increase, which is consistent with the spinodal dewetting instability over the entire thickness range investigated. This change in morphology with thickness is consistent with observations made previously for polymer films (Sharma and Khanna 1998 Phys. Rev. Lett. 81 3463-6; Seemann et al 2001 J. Phys.: Condens. Matter 13 4925-38). Based on the behavior of free energy curvature that incorporates intermolecular forces, we have estimated the morphological transition thickness for the intermolecular forces for Ag on SiO2. The theory predictions agree well with observations for Ag. These results show that it is possible to form a variety of complex Ag nanomorphologies in a consistent manner, which could be useful in optical applications of Ag surfaces, such as in surface enhanced Raman sensing.

[Confirmative study of a French version of the Exercise Dependence Scale-revised with a French population].

PubMed

Allegre, B; Therme, P

2008-10-01

Since the first writings on excessive exercise, there has been an increased interest in exercise dependence. One of the major consequences of this increased interest has been the development of several definitions and measures of exercise dependence. The work of Veale [Does primary exercise dependence really exist? In: Annet J, Cripps B, Steinberg H, editors. Exercise addiction: Motivation for participation in sport and exercise.Leicester, UK: Br Psychol Soc; 1995. p. 1-5.] provides an advance for the definition and measure of exercise dependence. These studies have adapted the DSM-IV criteria for substance dependence to measure exercise dependence. The Exercise Dependence Scale-Revised is based on these diagnostic criteria, which are: tolerance; withdrawal effects; intention effect; lack of control; time; reductions in other activities; continuance. Confirmatory factor analyses of EDS-R provided support to present a measurement model (21 items loaded in seven factors) of EDS-R (Comparative Fit Index=0.97; Root mean Square Error of Approximation=0.05; Tucker-Lewis Index=0.96). The aim of this study was to examine the psychometric properties of a French version of the EDS-R [Factorial validity and psychometric examination of the exercise dependence scale-revised. Meas Phys Educ Exerc Sci 2004;8(4):183-201.] to test the stability of the seven-factor model of the original version with a French population. A total of 516 half-marathoners ranged in age from 17 to 74 years old (Mean age=39.02 years, ET=10.64), with 402 men (77.9%) and 114 women (22.1%) participated in the study. The principal component analysis results in a six-factor structure, which accounts for 68.60% of the total variance. Because principal component analysis presents a six-factor structure differing from the original seven-factor structure, two models were tested, using confirmatory factor analysis. The first model is the seven-factor model of the original version of the EDS-R and the second is the model produced by the principal component analysis. The results of confirmatory factor analysis presented the original model (with a seven-factor structure) as a good model and fit indices were good (X(2)/ddl=2.89, Root Mean Square Error of Approximation (RMSEA)=0.061, Expected Cross Validation Index (ECVI)=1.20, Goodness-of-Fit Index (GFI)=0.92, Comparative Fit Index (CFI)=0.94, Standardized Root Mean Square (SRMS)=0.048). These results showed that the French version of EDS-R has an identical factor structure to the original. Therefore, the French version of EDS-R was an acceptable scale to measure exercise dependence and can be used on a French population.

Experiments on elastic cloaking in thin plates.

PubMed

Stenger, Nicolas; Wilhelm, Manfred; Wegener, Martin

2012-01-06

Following a theoretical proposal [M. Farhat et al., Phys. Rev. Lett. 103, 024301 (2009)], we design, fabricate, and characterize a cloaking structure for elastic waves in 1 mm thin structured polymer plates. The cloak consists of 20 concentric rings of 16 different metamaterials, each being a tailored composite of polyvinyl chloride and polydimethylsiloxane. By using stroboscopic imaging with a camera from the direction normal to the plate, we record movies of the elastic waves for monochromatic plane-wave excitation. We observe good cloaking behavior for carrier frequencies in the range from 200 to 400 Hz (one octave), in good agreement with a complete continuum-mechanics numerical treatment. This system is thus ideally suited for demonstration experiments conveying the ideas of transformation optics.

Quantum physics with non-Hermitian operators Quantum physics with non-Hermitian operators

NASA Astrophysics Data System (ADS)

Bender, Carl; Fring, Andreas; Günther, Uwe; Jones, Hugh

2012-11-01

The main motivation behind the call for this special issue was to gather recent results, developments and open problems in quantum physics with non-Hermitian operators. There have been previous special issues in this journal [1, 2] and elsewhere on this subject. The intention of this issue is to reflect the current state of this rapidly-developing field. It has therefore been open to all contributions containing new results on non-Hermitian theories that are explicitly PT-symmetric and/or pseudo-Hermitian or quasi-Hermitian. In the last decade these types of systems have proved to be viable self-consistent physical theories with well defined unitary time-evolution and real spectra. As the large number of responses demonstrates, this is a rapidly evolving field of research. A consensus has been reached regarding most of the fundamental problems, and the general ideas and techniques are now readily being employed in many areas of physics. Nonetheless, this issue still contains some treatments of a more general nature regarding the spectral analysis of these models, in particular, the physics of the exceptional points, the breaking of the PT-symmetry, an interpretation of negative energies and the consistent implementation of the WKB analysis. This issue also contains a treatment of a scattering theory associated with these types of systems, weak measurements, coherent states, decoherence, unbounded metric operators and the inclusion of domain issues to obtain well defined self-adjoint theories. Contributions in the form of applications of the general ideas include: studies of classical shock-waves and tunnelling, supersymmetric models, spin chain models, models with ring structure, random matrix models, the Pauli equation, the nonlinear Schrödinger equation, quasi-exactly solvable models, integrable models such as the Calogero model, Bose-Einstein condensates, thermodynamics, nonlinear oligomers, quantum catastrophes, the Landau-Zener problem and pseudo-Fermions. Applications close to experimental realization are proposed in optics, including short light pulse models, waveguides and laser systems, and also in electronics. We hope that this issue will become a valuable reference and inspiration for the broader scientific community working in mathematical and theoretical physics. References [1] Fring A, Jones H F and Znojil M (ed) 2008 J. Phys. A: Math. Theor. 41 240301 [2] Geyer H, Heiss D and Znojil M (ed) 2006 J. Phys. A: Math. Gen. 39 9963

Effect of carbon source type on intracellular stored polymers during endogenous denitritation (ED) treating landfill leachate.

PubMed

Miao, Lei; Wang, Shuying; Li, Baikun; Cao, Tianhao; Zhang, Fangzhai; Wang, Zhong; Peng, Yongzhen

2016-09-01

Glycogen accumulating organisms (GAOs) capable of storing organic compounds as polyhydroxyalkanoate (PHA) have been used for endogenous denitritation (ED), but the effect of carbon sources type on nitrogen removal performance of GAOs treating landfill leachate is unclear. In this study, a successful ED system treating landfill leachate (COD/NH4(+)-N (C/N): 4) without external carbon source addition was applied. The mature leachate with C/N of 1 was used as the feeding base solution, with acetate, propionate, and glucose examined as the carbon sources, and their effects on yields and compositions of PHA produced by GAOs were determined and associated with nitrogen removal performance. In the case of sole carbon source, acetate was much easier to be stored than propionate and glucose, which led to a higher nitrogen removal efficiency. Glucose had the lowest amount of PHA storage and led to the lowest performance. In the case of composite carbon sources (two scenarios: acetate + propionate; acetate + propionate + glucose), GAOs stored sufficient PHA and exhibited similar nitrogen removal efficiencies. Moreover, type of carbon source influenced the compositions of PHA. The polyhydroxybutyrate (PHB) fraction in PHA was far more than polyhydroxyvalerate (PHV) in all tests. PHV was synthesized only when acetate existed in carbon source. The microbial diversity analysis revealed that Proteobacteria was the most abundant phylum. Among the 108 genera detected in this ED system, the genera responsible for denitritation were Thauera, Paracoccus, Ottowia and Comamonadaceae_unclassified, accounting for 46.21% of total bacteria. Especially, Paracoccus and Comamonadaceae_unclassified transformed the carbon source into PHA for denitritation, and carried out endogenous denitritation. Copyright © 2016 Elsevier Ltd. All rights reserved.

The Electrochemical Behavior in Aqueous Media of Conducting Polymers. 2. The Insoluble Fractions Obtained on the Cu(II) Catalyzed Polymerization of (2,5-Dibromo-3-Group IV Substituted) Thiophenes.

DTIC Science & Technology

1986-07-30

Grignard compounds derived from 2,5-dibromothiophene and 2,5-dibromo-3- m-thyI thiophene have been reported by Yarmamctc’ et al. (20,21). After iodine...modification of the synthetic route by employing the 2,5-dilithiothiophenes in place of the bis- Grignard compounds. Subsequent anhydrous metal salts promoted...acknowledge the Lithium Corporation for • the donation of n-butyllithium reagent . •o. , References i. G. Wagner, Angew. Chem. Int. Ed. Engi., 20 361 (1981

Three-Dimensional Photochemical Machining with Lasers

DTIC Science & Technology

1983-11-30

559.91 (1.00) 4-Hydroxybenzophenone 27.78 79.42 359.97 (1.00) 0 19.42 55.52 514.93 (0.78) Benzoin 27.03 77.28 369.96 (1.00) 21.01 60.07 475.96 (0.95...Xanthone I x 104 3 x 103 2 x 10 2 -3 Photosensitizer x = 318-320 nm x 2 340-345 nm Benzoin 310 -- x-Methyl benzoin 200 -- X-Hydroxymethyl benzoin -- 150... Benzoin isopropyl ether -- 230 Benzoin phenyl ether -- 250 (a) From: V. 0. McGinniss, in "Oevelopments in Polymer Photochemistry - 3", N. S. Allen, Ed

Theory of optical transitions in conjugated polymers. II. Real systems

NASA Astrophysics Data System (ADS)

Marcus, Max; Tozer, Oliver Robert; Barford, William

2014-10-01

The theory of optical transitions developed in Barford and Marcus ["Theory of optical transitions in conjugated polymers. I. Ideal systems," J. Chem. Phys. 141, 164101 (2014)] for linear, ordered polymer chains is extended in this paper to model conformationally disordered systems. Our key result is that in the Born-Oppenheimer regime the emission intensities are proportional to S(1)/⟨IPR⟩, where S(1) is the Huang-Rhys parameter for a monomer. ⟨IPR⟩ is the average inverse participation ratio for the emitting species, i.e., local exciton ground states (LEGSs). Since the spatial coherence of LEGSs determines the spatial extent of chromophores, the significance of this result is that it directly relates experimental observables to chromophore sizes (where ⟨IPR⟩ is half the mean chromophore size in monomer units). This result is independent of the chromophore shape, because of the Born-Oppenheimer factorization of the many body wavefunction. We verify this prediction by density matrix renormalization group (DMRG) calculations of the Frenkel-Holstein model in the adiabatic limit for both linear, disordered chains and for coiled, ordered chains. We also model optical spectra for poly(p-phenylene) and poly(p-phenylene-vinylene) oligomers and polymers. For oligomers, we solve the fully quantized Frenkel-Holstein model via the DMRG method. For polymers, we use the much simpler method of solving the one-particle Frenkel model and employ the Born-Oppenheimer expressions relating the effective Franck-Condon factor of a chromophore to its inverse participation ratio. We show that increased disorder decreases chromophore sizes and increases the inhomogeneous broadening, but has a non-monotonic effect on transition energies. We also show that as planarizing the polymer chain increases the exciton band width, it causes the chromophore sizes to increase, the transition energies to decrease, and the broadening to decrease. Finally, we show that the absorption spectra are more broadened than the emission spectra and that the broadening of the absorption spectra increases as the chains become more coiled. This is primarily because absorption occurs to both LEGSs and quasi-extended exciton states (QEESs), and QEES acquire increased intensity as chromophores bend, while emission only occurs from LEGSs.

Mechanical properties of a biodegradable bone regeneration scaffold

NASA Technical Reports Server (NTRS)

Porter, B. D.; Oldham, J. B.; He, S. L.; Zobitz, M. E.; Payne, R. G.; An, K. N.; Currier, B. L.; Mikos, A. G.; Yaszemski, M. J.

2000-01-01

Poly (Propylene Fumarate) (PPF), a novel, bulk erosion, biodegradable polymer, has been shown to have osteoconductive effects in vivo when used as a bone regeneration scaffold (Peter, S. J., Suggs, L. J., Yaszemski, M. J., Engel, P. S., and Mikos, A. J., 1999, J. Biomater. Sci. Polym. Ed., 10, pp. 363-373). The material properties of the polymer allow it to be injected into irregularly shaped voids in vivo and provide mechanical stability as well as function as a bone regeneration scaffold. We fabricated a series of biomaterial composites, comprised of varying quantities of PPF, NaCl and beta-tricalcium phosphate (beta-TCP), into the shape of right circular cylinders and tested the mechanical properties in four-point bending and compression. The mean modulus of elasticity in compression (Ec) was 1204.2 MPa (SD 32.2) and the mean modulus of elasticity in bending (Eb) was 1274.7 MPa (SD 125.7). All of the moduli were on the order of magnitude of trabecular bone. Changing the level of NaCl from 20 to 40 percent, by mass, did not decrease Ec and Eb significantly, but did decrease bending and compressive strength significantly. Increasing the beta-TCP from 0.25 g/g PPF to 0.5 g/g PPF increased all of the measured mechanical properties of PPF/NVP composites. These results indicate that this biodegradable polymer composite is an attractive candidate for use as a replacement scaffold for trabecular bone.

Developing a polymeric sensor to monitor intracellular conditions

NASA Astrophysics Data System (ADS)

Mudarri, Timothy C.; Leo, Donald J.; Wood, Brett C.; Shires, Peter K.

2004-07-01

Ionic electroactive polymers have been developed as mechanical sensors or actuators, taking advantage of the electromechanical coupling of the materials. This research attempts to take advantage of the chemomechanical and chemoelectrical coupling by characterizing the transient response as the polymer undergoes an ion exchange, thus using the polymer for ionic sensing. Nafion is a biocompatible material, and an implantable polymeric ion sensor which has applications in the biomedical field for bone healing research. An ion sensor and a strain gauge could determine the effects of motion allowed at the fracture site, thus improving rehabilitation procedures for bone fractures. The charge sensitivity of the material and the capacitance of the material were analyzed to determine the transient response. Both measures indicate a change when immersed in ionic salt solutions. It is demonstrated that measuring the capacitance is the best indicator of an ion exchange. Relative to a flat response in deionized water (+/-2%), the capacitance of the polymer exhibits an exponential decay of ~25% of its peak when placed in a salt solution. A linear correlation between the time constant of the decay and the ionic size of the exchanging ion was developed that could reasonably predict a diffusing ion. Tests using an energy dispersive spectrometer (EDS) indicate that 90% of the exchange occurs in the first 20 minutes, shown by both capacitance decay and an atomic level scan. The diffusion rate time constant was found to within 0.3% of the capacitance time constant, confirming the ability of capacitance to measure ion exchange.

Photoluminescence of Sequential Infiltration Synthesized ZnO nanostructures

NASA Astrophysics Data System (ADS)

Ocola, Leonidas; Gosztola, David; Yanguas-Gil, Angel; Connolly, Aine

We have investigated a variation of atomic layer deposition (ALD), called sequential infiltration synthesis (SiS), as an alternate method to incorporate ZnO and other oxides inside polymethylmethacrylate (PMMA) and other polymers. Energy dispersive spectroscopy (EDS) results show that we synthesize ZnO up to 300 nm inside a PMMA film. Photoluminescence data on a PMMA film shows that we achieve a factor of 400X increase in photoluminescence (PL) intensity when comparing a blank Si sample and a 270 nm thick PMMA film, where both were treated with the same 12 alternating cycles of H2O and diethyl zinc (DEZ). PMMA is a well-known ebeam resist. We can expose and develop patterns useful for photonics or sensing applications first, and then convert them afterwards into a hybrid polymer-oxide material. We show that patterning does indeed affect the photoluminescence signature of native ZnO. We demonstrate we can track the growth of the ZnO inside the PMMA polymer using both photoluminescence and Raman spectroscopy and determine the point in the process where ZnO is first photoluminescent and also at which point ZnO first exhibits long range order in the polymer. This work was supported by the Department of Energy under Contract No. DE-AC02-06CH11357. Use of the Center for Nanoscale Materials was supported by the U. S. Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357.

From Reactor to Rheology in LDPE Modeling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Read, Daniel J.; Das, Chinmay; Auhl, Dietmar

2008-07-07

In recent years the association between molecular structure and linear rheology has been established and well-understood through the tube concept and its extensions for well-characterized materials (e.g. McLeish, Adv. Phys. 2002). However, for industrial branched polymeric material at processing conditions this piece of information is missing. A large number of phenomenological models have been developed to describe the nonlinear response of polymers. But none of these models takes into account the underlying molecular structure, leading to a fitting procedure with arbitrary fitting parameters. The goal of applied molecular rheology is a predictive scheme that runs in its entirety from themore » molecular structure from the reactor to the non-linear rheology of the resin. In our approach, we use a model for the industrial reactor to explicitly generate the molecular structure ensemble of LDPE's, (Tobita, J. Polym. Sci. B 2001), which are consistent with the analytical information. We calculate the linear rheology of the LDPE ensemble with the use of a tube model for branched polymers (Das et al., J. Rheol. 2006). We then, separate the contribution of the stress decay to a large number of pompom modes (McLeish et al., J. Rheol. 1998 and Inkson et al., J. Rheol. 1999) with the stretch time and the priority variables corresponding to the actual ensemble of molecules involved. This multimode pompom model allows us to predict the nonlinear properties without any fitting parameter. We present and analyze our results in comparison with experimental data on industrial materials.« less

Compressible or incompressible blend of interacting monodisperse linear polymers near a surface.

PubMed

Batman, Richard; Gujrati, P D

2007-08-28

We consider a lattice model of a mixture of repulsive, attractive, or neutral monodisperse linear polymers of two species, A and B, with a third monomeric species C, which may be taken to represent free volume. The mixture is confined between two hard, parallel plates of variable separation whose interactions with A and C may be attractive, repulsive, or neutral, and may be different from each other. The interactions with A and C are all that are required to completely specify the effect of each surface on all three components. We numerically study various density profiles as we move away from the surface, by using the recursive method of Gujrati and Chhajer [J. Chem. Phys. 106, 5599 (1997)] that has already been previously applied to study polydisperse solutions and blends next to surfaces. The resulting density profiles show the oscillations that are seen in Monte Carlo simulations and the enrichment of the smaller species at a neutral surface. The method is computationally ultrafast and can be carried out on a personal computer (PC), even in the incompressible case, when Monte Carlo simulations are not feasible. The calculations of density profiles usually take less than 20 min on a PC.

Graphene and temperature controlled butterfly shape in permittivity-field loops of ferroelectric polymer nanocomposites

NASA Astrophysics Data System (ADS)

Adohi, B. J. P.; Brosseau, C.; Laur, V.; Haidar, B.

2017-01-01

We report on the field-dependent polarization of graphene (GE) filled poly[vinylidene fluoride-co-trifluoroethylene] P(VDF-TrFE) nanostructures fabricated by mechanical melt mixing. This study shows an increase in effective permittivity of these nanomaterials on increasing the GE loading in a manner that is consistent with standard mixing law. Detailed characterization of the unsaturated ferroelectric hysteresis, as well as the butterfly shape of the effective permittivity versus electric bias, of the samples are presented. For GE content set to 9.1 wt. % in the samples containing 50/50 wt. % (VDF/TrFE), the maximum polarization increases by 260% with respect to that of the neat polymer matrix. With a higher VDF content, 73 wt. %, the coercive field remains constant over the range of GE content explored. Additionally, our results highlight the strong impact of the GE loading and temperature on the butterfly shape in permittivity-field loops of these nanocomposites. The experimental findings are consistent with theoretical predictions of the modified Johnson's model [Narayanan et al., Appl. Phys. Lett. 100, 022907 (2012)]. Our findings can open avenues for interplay between conductive nanofillers and ferroelectricity in soft nanomaterials with controlled phase transitions.

Interactions of Ultracold Impurity Particles with Bose-Einstein Condensates

DTIC Science & Technology

2015-06-23

Lukin et al ., Phys. Rev. Lett. 87, 037901 (2001). [2] D. Jaksch et al ., Phys. Rev. Lett. 85, 2208 (2000). [3] L. Isenhower et al ., Phys. Rev. Lett...104, 010503 (2010). [4] T. Wilk et al ., Phys. Rev. Lett. 104, 010502 (2010). [5] I. Mourachko et al ., Phys. Rev. Lett. 80, 253 (1998). [6] W. R...Phys. 12, 103044 (2010). [12] R. M. W. van Bijnen et al ., J. Phys. B 44, 184008 (2011). [13] I. Lesanovsky, Phys. Rev. Lett. 106, 025301 (2011). [14] E

Mitigation of Biofilm Formation on Corrugated Cardboard Fresh Produce Packaging Surfaces Using a Novel Thiazolidinedione Derivative Integrated in Acrylic Emulsion Polymers

PubMed Central

Brandwein, Michael; Al-Quntar, Abed; Goldberg, Hila; Mosheyev, Gregory; Goffer, Moshe; Marin-Iniesta, Fulgencio; López-Gómez, Antonio; Steinberg, Doron

2016-01-01

Various surfaces associated with the storage and packing of food are known to harbor distinct bacterial pathogens. Conspicuously absent among the plethora of studies implicating food packaging materials and machinery is the study of corrugated cardboard packaging, the worldwide medium for transporting fresh produce. In this study, we observed the microbial communities of three different store-bought fruits and vegetables, along with their analog cardboard packaging using high throughput sequencing technology. We further developed an anti-biofilm polymer meant to coat corrugated cardboard surfaces and mediate bacterial biofilm growth on said surfaces. Integration of a novel thiazolidinedione derivative into the acrylic emulsion polymers was assessed using Energy Dispersive X-ray Spectrometry (EDS) analysis and surface topography was visualized and quantified on corrugated cardboard surfaces. Biofilm growth was measured using q-PCR targeting the gene encoding 16s rRNA. Additionally, architectural structure of the biofilm was observed using SEM. The uniform integration of the thiazolidinedione derivative TZD-6 was confirmed, and it was determined via q-PCR to reduce biofilm growth by ~80% on tested surfaces. A novel and effective method for reducing microbial load and preventing contamination on food packaging is thereby proposed. PMID:26909074

Novel synthesis of ZnO/PMMA nanocomposites for photocatalytic applications

PubMed Central

Di Mauro, Alessandro; Cantarella, Maria; Nicotra, Giuseppe; Pellegrino, Giovanna; Gulino, Antonino; Brundo, Maria Violetta; Privitera, Vittorio; Impellizzeri, Giuliana

2017-01-01

The incorporation of nanostructured photocatalysts in polymers is a strategic way to obtain novel water purification systems. This approach takes the advantages of: (1) the presence of nanostructured photocatalyst; (2) the flexibility of polymer; (3) the immobilization of photocatalyst, that avoids the recovery of the nanoparticles after the water treatment. Here we present ZnO-polymer nanocomposites with high photocatalytic performance and stability. Poly (methyl methacrylate) (PMMA) powders were coated with a thin layer of ZnO (80 nm thick) by atomic layer deposition at low temperature (80 °C). Then the method of sonication and solution casting was performed so to obtain the ZnO/PMMA nanocomposites. A complete morphological, structural, and chemical characterization was made by scanning electron microscopy (SEM), transmission electron microscopy (TEM), energy-dispersive X-ray spectroscopy (EDS), X-ray diffraction (XRD), and X-ray photoelectron spectroscopy (XPS) analyses. The remarkable photocatalytic efficiency of the nanocomposites was demonstrated by the degradation of methylene blue (MB) dye and phenol in aqueous solution under UV light irradiation. The composites also resulted reusable and stable, since they maintained an unmodified photo-activity after several MB discoloration runs. Thus, these results demonstrate that the proposed ZnO/PMMA nanocomposite is a promising candidate for photocatalytic applications and, in particular, for novel water treatment. PMID:28098229

Study of microstructural characterization and ionic conductivity of a chemical-covalent polyether-siloxane hybrid doped with LiClO4.

PubMed

Liang, Wuu-Jyh; Chen, Ying-Pin; Wu, Chien-Pang; Kuo, Ping-Lin

2005-12-29

The chemical-covalent polyether-siloxane hybrids (EDS) doped with various amounts of LiClO4 salt were characterized by FT-IR, DSC, TGA, and solid-state NMR spectra as well as impedance measurements. These observations indicate that different types of complexes by the interactions of Li+ and ClO4- ions are formed within the hybrid host, and the formation of transient cross-links between Li+ ions and ether oxygens results in the increase in T(g) of polyether segments and the decrease in thermal stability of hybrid electrolyte. Initially a cation complexation dominated by the oxirane-cleaved cross-link site and PEO block is present, and after the salt-doped level of O/Li+ = 20, the complexation through the PPO block becomes more prominent. Moreover, a significant degree of ionic association is examined in the polymer-salt complexes at higher salt uptakes. A VTF-like temperature dependence of ionic conductivity is observed in all of the investigated salt concentrations, implying that the diffusion of charge carrier is assisted by the segmental motions of the polymer chains. The behavior of ion transport in these hybrid electrolytes is further correlated with the interactions between ions and polymer host.

Formation of interstellar anions

NASA Astrophysics Data System (ADS)

Senent, Maria Luisa

2012-05-01

Formation of interstellar anions: M.L. Senent. The recent detection of negative charged species in the ISM1 has instigated enthusiasm for anions in the astrophysical community2. Many of these species are new and entail characterization. How they are formed in astrophysical sources is a question of major relevance. The anion presence in ISM was first predicted theoretically on the basis of electron affinities and on the negative linear chain molecular stabilities. Although very early, they were considered in astrochemical models3-4, their discovery is so recent because their abundances seem to be relatively low. These have to be understood in terms of molecular stabilities, reaction probabilities and radiative and collisional excitations. Then, we present our theoretical work on even carbon chains type Cn and CnH (n=2,4,6) focused to the understanding of anion abundances. We use highly correlated ab initio methods. We performed spectroscopic studies of various isomers that can play important roles as intermediates5-8. In previous papers9-10, we compared C2H and C2H- collisional rates responsible for observed line intensities. Actually, we study hydrogen attachment (Cn +H → CnH and Cn- +H → CnH-) and associative detachment processes (Cn- +H → CnH +e-) for 2, 4 and 6 carbon atom chains11. [1] M.C.McCarthy, C.A.Gottlieb, H.Gupta, P.Thaddeus, Astrophys.J, 652, L141 (2006) [2] V.M.Bierbaum, J.Cernicharo, R.Bachiller, eds., 2011, pp 383-389. [3] A. Dalgarno, R.A. Mc Cray, Astrophys.J,, 181, 95 (1973) [4] E. Herbst E., Nature, 289, 656 (1981); [5] H.Massó, M.L.Senent, P.Rosmus, M.Hochlaf, J.Chem.Phys., 124, 234304 (2006) [6] M.L.Senent, M.Hochlaf, Astrophys. J. , 708, 1452(2010) [7] H.Massó, M.L.Senent, J.Phys.Chem.A, 113, 12404 (2009) [8] D. Hammoutene, M.Hochlaf, M.L.Senent, submitted. [9] A. Spielfiedel, N. Feautrier, F. Najar, D. ben Abdallah, F. Dayou, M.L. Senent, F. Lique, Mon.Not.R.Astron.Soc., 421, 1891 (2012) [10] F.Dumouchel, A, Spielfieldel , M.L.Senent, N.Feautrier, Chem. Phys. Lett., 533, 6 (2012) [11] M.L.Senent, M.Hochlaf, submitted

"Corkscrew" vs. "tank-treading" propulsion of spirochetes.

NASA Astrophysics Data System (ADS)

Leshansky, Alexander; Kenneth, Oded

2010-11-01

We consider the potential mechanism of spirochete propulsion driven by twirling of the outer cell surface coupled to counter-rotation of the helical body. We construct a proper slender body theory and use particle-based numerical approach allowing for modeling of locomotion in heterogeneous viscous environment. Depending on the helical pitch angle, two distinct propulsion gaits are identified: corkscrew-like locomotion, similar to propulsion powered by rotating helical flagellum, and surface tank-treading mode relying on hydrodynamic self-interaction of curved helical coils. The latter mechanism is closely related to the considered earlier propulsion of Purcell's toroidal swimmer (Kenneth and Leshansky, Phys. Fluids 20, 063104, 2008). Significant augmentation of corkscrew propulsion gait in heterogeneous viscous medium anticipated from the numerical model is in accord with experimental observations of enhanced spirochete propulsion in polymer gels.

Fifty years of Jaynes-Cummings physics

NASA Astrophysics Data System (ADS)

Greentree, Andrew D.; Koch, Jens; Larson, Jonas

2013-11-01

This special issue commemorates the 50th anniversary of the seminal paper published by E T Jaynes and F W Cummings [1], the fundamental model which they introduced and now carries their names, and celebrates the remarkable host of exciting research on Jaynes-Cummings physics throughout the last five decades. The Jaynes-Cummings model has been taking the prominent stance as the 'hydrogen atom of quantum optics' [2]. Generally speaking, it provides a fundamental quantum description of the simplest form of coherent radiation-matter interaction. The Jaynes-Cummings model describes the interaction between a single electromagnetic mode confined to a cavity, and a two-level atom. Energy is exchanged between the field and the atom, which leads directly to coherent population oscillations (Rabi oscillations) and superposition states (dressed states). Being exactly solvable, the Jaynes-Cummings model serves as a most useful toy model, and as such it is a textbook example of the physicists' popular strategy of simplifying a complex problem to its most elementary constituents. Thanks to the simplicity of the Jaynes-Cummings model, this caricature of coherent light-matter interactions has never lost its appeal. The Jaynes-Cummings model is essential when discussing experiments in quantum electrodynamics (indeed the experimental motivation of the Jaynes-Cummings model was evident already in the original paper, dealing as it does with the development of the maser), and it has formed the starting point for much fruitful research ranging from ultra-cold atoms to cavity quantum electrodynamics. In fact, Jaynes-Cummings physics is at the very heart of the beautiful experiments by S Haroche and D Wineland, which recently earned them the 2012 Nobel Prize in physics. Indeed, as with most significant models in physics, the model is invoked in settings that go far beyond its initial framework. For example, recent investigations involving multi-level atoms, multiple atoms [3, 4], multiple electromagnetic modes, arrays of coupled cavities [5-7], and optomechanical systems [8] have further enriched the physics of the Jaynes-Cummings model. From the early interests in masers and the consistent quantum description of radiation and atom-photon interaction, the Jaynes-Cummings model has evolved into a cornerstone of quantum state engineering [9]. The authors of this editorial had not been born when Jaynes and Cummings wrote their remarkable paper. It is, therefore, a special honour for us to be able to draw the reader's attention to the accompanying reminiscence contributed by Frederick Cummings where he gives us a glimpse of the early history of the Jaynes-Cummings model from his perspective [11]. By now, the original 1963 paper by Jaynes and Cummings has gathered numerous citations and, at the time of writing, the number of articles involving Jaynes-Cummings physics is approaching 15 000.1 This special issue does not attempt to review this impressive wealth of research. The interested reader, however, is urged to consult the definitive article by Shore and Knight [10] for a comprehensive review of the first 30 years of Jaynes-Cummings physics. The collection of 26 papers presented in this issue, showcases a snapshot of some of the most recent and continuing research devoted to Jaynes-Cummings physics. We begin our special issue with Professor Cumming's recollections [11]. We then have six papers on quantum information aspects of the Jaynes-Cummings model [12-17]. The next topic includes seven papers on the Dicke and generalized Jaynes-Cummings models [18-24], followed by six papers on circuit QED, which is one of the most important experimental frameworks for Jaynes-Cummings systems [25-30]. Finally, we have six papers on the extension to many cavities, the Jaynes-Cummings-Hubbard model [31-36]. The snapshot of research captured in this special issue illustrates the unifying language provided by the Jaynes-Cummings model, tying together research in a number of subfields in physics. Jaynes-Cummings physics started with the diagonalization of a 2 × 2 matrix, as Frederick Cummings points out. There is no doubt that this elegance of simplicity will continue to guide exciting new research in the decades to come. References [1] Jaynes E T and Cummings F W 1963 Comparison of quantum and semiclassical radiation theories with application to the beam maser Proc. IEEE 51 89 [2] Shore B W and Knight P L 2004 Physics and Probability: Essays in Honor of Edwin T Jaynes (Cambridge: Cambridge University Press) [3] Tavis M and Cummings F W 1968 Exact solution for an N -molecule-radiation-field Hamiltonian Phys. Rev. 170 379-84 [4] Tavis M and Cummings F W 1969 Approximate solutions for an N -molecule-radiation-field Hamiltonian Phys. Rev. 188 692-5 [5] Hartmann M J, Brandão F G S L and Plenio M B 2006 Strongly interacting polaritons in coupled arrays of cavities Nature Phys. 2 849-55 [6] Greentree A D, Tahan C, Cole J H and Hollenberg L C L 2006 Quantum phase transitions of light Nature Phys. 2 856-61 [7] Angelakis D G, Santos M F and Bose S 2007 Photon-blockade-induced Mott transitions and XY spin models in coupled cavity arrays Phys. Rev. A 76 031805(R) [8] Schwab K C and Roukes M L 2005 Putting mechanics into quantum mechanics Phys. Today 58 36-42 [9] Blatt R, Milburn G J and Lvovksy A 2013 The 20th anniversary of quantum state engineering J. Phys. B: At. Mol. Opt. Phys. 46 100201 [10] Shore B and Knight P L 1993 The Jaynes-Cummings model J. Mod. Opt. 40 1195-238 [11] Cummings F W 2013 J. Phys. B: At. Mol. Opt. Phys. 46 220202 [12] Arenz C 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224001 [13] Quesada N 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224002 [14] Everitt M 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224003 [15] Kitajima S 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224004 [16] Groves E 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224005 [17] Bougouffa S 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224006 [18] Braak D 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224007 [19] Emary C 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224008 [20] Miroshnychenko Y 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224009 [21] Dombi A 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224010 [22] Tavis M 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224011 [23] Grimsmo A 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224012 [24] Stenholm S I 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224013 [25] Kockum A F 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224014 [26] Larson J 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224015 [27] Larson J 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224016 [28] Agarwal S 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224017 [29] Deng W-W 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224018 [30] Leppaekangas J 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224019 [31] Schmidt S 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224020 [32] Schiro M 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224021 [33] Susa C 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224022 [34] del Valle E 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224023 [35] Correa B V 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224024 [36] Schetakis N 2013 J. Phys. B: At. Mol. Opt. Phys. 46 224025 1Number estimate based on a Google Scholar search.

Approximating Matsubara dynamics using the planetary model: Tests on liquid water and ice

NASA Astrophysics Data System (ADS)

Willatt, Michael J.; Ceriotti, Michele; Althorpe, Stuart C.

2018-03-01

Matsubara dynamics is the quantum-Boltzmann-conserving classical dynamics which remains when real-time coherences are taken out of the exact quantum Liouvillian [T. J. H. Hele et al., J. Chem. Phys. 142, 134103 (2015)]; because of a phase-term, it cannot be used as a practical method without further approximation. Recently, Smith et al. [J. Chem. Phys. 142, 244112 (2015)] developed a "planetary" model dynamics which conserves the Feynman-Kleinert (FK) approximation to the quantum-Boltzmann distribution. Here, we show that for moderately anharmonic potentials, the planetary dynamics gives a good approximation to Matsubara trajectories on the FK potential surface by decoupling the centroid trajectory from the locally harmonic Matsubara fluctuations, which reduce to a single phase-less fluctuation particle (the "planet"). We also show that the FK effective frequency can be approximated by a direct integral over these fluctuations, obviating the need to solve iterative equations. This modification, together with use of thermostatted ring-polymer molecular dynamics, allows us to test the planetary model on water (gas-phase, liquid, and ice) using the q-TIP4P/F potential surface. The "planetary" fluctuations give a poor approximation to the rotational/librational bands in the infrared spectrum, but a good approximation to the bend and stretch bands, where the fluctuation lineshape is found to be motionally narrowed by the vibrations of the centroid.

Approximating Matsubara dynamics using the planetary model: Tests on liquid water and ice.

PubMed

Willatt, Michael J; Ceriotti, Michele; Althorpe, Stuart C

2018-03-14

Matsubara dynamics is the quantum-Boltzmann-conserving classical dynamics which remains when real-time coherences are taken out of the exact quantum Liouvillian [T. J. H. Hele et al., J. Chem. Phys. 142, 134103 (2015)]; because of a phase-term, it cannot be used as a practical method without further approximation. Recently, Smith et al. [J. Chem. Phys. 142, 244112 (2015)] developed a "planetary" model dynamics which conserves the Feynman-Kleinert (FK) approximation to the quantum-Boltzmann distribution. Here, we show that for moderately anharmonic potentials, the planetary dynamics gives a good approximation to Matsubara trajectories on the FK potential surface by decoupling the centroid trajectory from the locally harmonic Matsubara fluctuations, which reduce to a single phase-less fluctuation particle (the "planet"). We also show that the FK effective frequency can be approximated by a direct integral over these fluctuations, obviating the need to solve iterative equations. This modification, together with use of thermostatted ring-polymer molecular dynamics, allows us to test the planetary model on water (gas-phase, liquid, and ice) using the q-TIP4P/F potential surface. The "planetary" fluctuations give a poor approximation to the rotational/librational bands in the infrared spectrum, but a good approximation to the bend and stretch bands, where the fluctuation lineshape is found to be motionally narrowed by the vibrations of the centroid.

Materials Challenges for Automotive PEM Fuel Cells

NASA Astrophysics Data System (ADS)

Gasteiger, Hubert

2004-03-01

Over the past few years, significant R efforts aimed at meeting the challenging cost and performance targets required for the use of Polymer Electrolyte Membrane (PEM) fuel cells in automotive applications. Besides engineering advances in bipolar plate materials and design, the optimization of membrane-electrode assemblies (MEAs) was an important enabler in reducing the cost and performance gaps towards commercial viability for the automotive market. On the one hand, platinum loadings were reduced from several mgPt/cm2MEA [1] to values of 0.5-0.6 mgPt/cm2MEA in current applications and loadings as low as 0.25 mgPt/cm2MEA have been demonstrated on the research level [2]. On the other hand, implementation of thin membranes (20-30 micrometer) [3, 4] as well as improvements in diffusion medium materials, essentially doubled the achievable power density of MEAs to ca. 0.9 W/cm2MEA (at 0.65 V) [5], thereby not only reducing the size of a PEMFC fuel cell system, but also reducing its overall materials cost (controlled to a large extent by membrane and Pt-catalyst cost). While this demonstrated a clear path towards automotive applications, a renewed focus of R efforts is now required to develop materials and fundamental materials understanding to assure long-term durability of PEM fuel cells. This presentation therefore will discuss the state-of-the-art knowledge of catalyst, catalyst-support, and membrane degradation mechanisms. In the area of Pt-catalysts, experience with phosphoric acid fuel cells (PAFCs) has shown that platinum sintering leads to long-term performance losses [6]. While this is less critical at the lower PEMFC operating temperatures (<100C) compared to PAFCs (>200C), very little is known about the dependence of Pt-sintering on temperature, cell voltage, and catalyst type (i.e., Pt versus Pt-alloys) and will be discussed here. Similarly, carbon-support corrosion can contribute significantly to voltage degradation in PAFCs [7], and even in the PEMFC environment more corrosion-resistant support materials (e.g., graphitized carbons) are desirable. While thin polymer electrolyte membranes (20-30 micrometer) enable high power density operation, the requirements on their chemical and mechanical stability are significantly more demanding compared to the thick membranes (100-200 micrometer) used in the past [1]. While the currently used perfluoro-sulfonicacid (PFSA) membranes are chemically very stable, they are known to degrade in the fuel cell environment [4] via peroxyl-radical attack, strongly enhanced in the presence of iron [8]. While the exact degradation mechanism is actively investigated, its understanding is clearly required to improve the chemical stability of PFSA's. Similarly, very little is known about the mechanical properties of polymer electrolyte membranes and critical issues will be discussed. References: 1. Strasser, K.; ``H2/O2 PEM Fuel Cell Module for an Air-Independent Propulsion System in a Submarine''; in: Handbook of Fuel Cells Fundamentals, Technology and Applications; Vielstich, W.; Lamm, A.; Gasteiger, H. A. (Eds.); John Wiley & Sons (Chichester, UK): volume 4, chapter 88, 2003, pp. 1201-1214. 2. Gasteiger, H. A.; Panels, J. E.; Yan, S. G.; J. Power Sources in press. 3. Gasteiger, H. A.; Gu, W.; Makharia, R.; Mathias, M. F.; Sompalli, S.; ``Beginning-of-Life MEA Performance: Efficiency Loss Contributions''; in: Handbook of Fuel Cells Fundamentals, Technology and Applications; Vielstich, W.; Lamm, A.; Gasteiger, H. A. (Eds.); John Wiley & Sons (Chichester, UK): volume 3, chapter 46, 2003, pp. 593-610. 4. Cleghorn, S.; Kolde, J.; Liu, W.; ``Catalyst-Coated Composite Membranes''; in: Handbook of Fuel Cells - Fundamentals, Technology and Applications; Vielstich, W.; Lamm, A.; Gasteiger, H. A. (Eds.); John Wiley & Sons (Chichester, UK): volume 3, chapter 44, 2003, pp. 566-575. 5. Mathias, M. F.; Gasteiger, H. A.; Fundamental Research and Development Challenges in Polymer Electrolyte Fuel Cell Technology; in Proceedings of the Proton Conducting Membrane Fuel Cells III Symposium; The Electrochemical Society: 2002, in press. 6. Landsman, D. A.; Luczak, F. J.; ``Catalyst Studies and Coating Technologies''; in: Handbook of Fuel Cells Fundamentals, Technology and Applications; Vielstich, W.; Lamm, A.; Gasteiger, H. A. (Eds.); John Wiley & Sons (Chichester, UK): volume 4, chapter 60, 2003, pp. 811-831. 7. Kinoshita, K.; Carbon: Electrochemical and Physicochemical Properites; John Wiley & Sons (New York, USA): 1988. 8. LaConti, A. B.; Hamdan, M.; McDonald, R. C.; ``Mechanisms of Chemical Degradation''; in: Handbook of Fuel Cells Fundamentals, Technology and Applications; Vielstich, W.; Lamm, A.; Gasteiger, H. A. (Eds.); John Wiley & Sons (Chichester, UK): volume 3, chapter 49, 2003, pp. 647-662.

Aluminum based metal-organic framework-polymer monolith in solid-phase microextraction of penicillins in river water and milk samples.

PubMed

Lirio, Stephen; Liu, Wan-Ling; Lin, Chen-Lan; Lin, Chia-Her; Huang, Hsi-Ya

2016-01-08

In this study, aluminum based metal-organic framework (Al-MOF)-organic polymer monoliths were prepared via microwave-assisted polymerization of ethylene dimethacrylate (EDMA), butyl methacrylate (BMA) with different weight percentages of Al-MOF (MIL-53; 37.5-62.5%) and subsequently utilized as sorbent in solid-phase microextraction (SPME) of penicillins (penicillin G, penicillin V, oxacillin, cloxacillin, dicloxacillin, nafcillin). The Al-MOF-polymer was characterized using Fourier transform infrared (FTIR) spectroscopy, powder X-ray diffraction (XRD), scanning electron microscopy (SEM) and SEM-energy-dispersive X-ray spectroscopy (SEM-EDS) to clarify the retained crystalline structure well as the homogeneous dispersion of Al-MOF (MIL-53) in polymer monolith. The developed Al-MOF-polymer (MIL-53) monolithic column was evaluated according to its extraction recovery of penicillins. Several parameters affecting the extraction recoveries of penicillins using fabricated Al-MOF-polymer (MIL-53) monolithic column including different MIL-53 weight percentages, column length, pH, desorption solvent, and mobile phase flow rate were investigated. For comparison, different Al-based MOFs (MIL-68, CYCU-4 and DUT-5) were fabricated using the optimized condition for MIL-53-polymer (sample matrix at pH 3, 200μL desorption volume using methanol, 37.5% of MOF, 4-cm column length at 0.100mLmin(-1) flow rate). Among all the Al-MOF-polymers, MIL-53(Al)-polymer still afforded the best extraction recovery for penicillins ranging from 90.5 to 95.7% for intra-day with less than 3.5% relative standard deviations (RSDs) and inter-day precision were in the range of 90.7-97.6% with less than 4.2% RSDs. Meanwhile, the recoveries for column-to-column were in the range of 89.5-93.5% (<3.4% RSDs) while 88.5-90.5% (<5.8% RSDs) for batch-to-batch (n=3). Under the optimal conditions, the limit of detections were in the range of 0.06-0.26μgL(-1) and limit of quantifications between 0.20 and 0.87μgL(-1). Finally, the MIL-53-polymer was applied for the extraction of penicillin in river water and milk by spiking trace-level penicillin for as low as 50μgL(-1) and 100μgL(-1) with recoveries ranging from 80.8% to 90.9% (<6.7% RSDs) in river water and 81.1% to 100.7% (<7.1% RSDs) in milk sample, respectively. Copyright © 2015 Elsevier B.V. All rights reserved.

Rational solutions of CYBE for simple compact real Lie algebras

NASA Astrophysics Data System (ADS)

Pop, Iulia; Stolin, Alexander

2007-04-01

In [A.A. Stolin, On rational solutions of Yang-Baxter equation for sl(n), Math. Scand. 69 (1991) 57-80; A.A. Stolin, On rational solutions of Yang-Baxter equation. Maximal orders in loop algebra, Comm. Math. Phys. 141 (1991) 533-548; A. Stolin, A geometrical approach to rational solutions of the classical Yang-Baxter equation. Part I, in: Walter de Gruyter & Co. (Ed.), Symposia Gaussiana, Conf. Alg., Berlin, New York, 1995, pp. 347-357] a theory of rational solutions of the classical Yang-Baxter equation for a simple complex Lie algebra g was presented. We discuss this theory for simple compact real Lie algebras g. We prove that up to gauge equivalence all rational solutions have the form X(u,v)={Ω}/{u-v}+t1∧t2+⋯+t∧t2n, where Ω denotes the quadratic Casimir element of g and {ti} are linearly independent elements in a maximal torus t of g. The quantization of these solutions is also emphasized.

Beyond detection: biological physics informing progression and treatment of cancer Beyond detection: biological physics informing progression and treatment of cancer

NASA Astrophysics Data System (ADS)

Newman, T. J.; Thompson, A. M.

2012-12-01

The full text of the Preface is given in the PDF file. References [1] Kaur P et al 2012 Phys. Biol. 9 065001 [2] Lobikin M et al 2012 Phys. Biol. 9 065002 [3] Tanner K 2012 Phys. Biol. 9 065003 [4] Liu S V et al 2012 Phys. Biol. 9 065004 [5] Liao D et al 2012 Phys. Biol. 9 065005 [6] Liao D et al 2012 Phys. Biol. 9 065006 [7] Orlando P A et al 2012 Phys. Biol. 9 065007

Revisited comparison of thermal instability theory with MARFE density limit experiment in TEXTOR.

NASA Astrophysics Data System (ADS)

Kelly, Frederick

2006-03-01

Density limit shots in TEXTOR [Tokamak EXperiment for Technology Oriented Research] that ended in MARFE [Multifaceted Asymmetric Radiation From the Edge] are analyzed by several thermal instability theories^1-7 with convective effects included. ^1W. M. Stacey, Phys. Plasmas 3, 2673 (1996); Phys. Plasmas 3, 3032 (1996); Phys. Plasmas 4, 134 (1997); Phys. Plasmas 4, 242 (1997). ^2W. M. Stacey, Plasma Phys. Contr. Fusion 39, 1245 (1997). ^3W. M. Stacey, Fusion Technol. 36, 38 (1999).^ ^4W. M. Stacey, Phys. Plasmas 7, 3464 (2000). ^5F. A. Kelly, W. M. Stacey, J. Rapp and M. Brix, Phys. Plasmas 8, 3382 (2001). ^6M. Z. Tokar and F. A. Kelly, Phys. Plasmas 10, 4378 (2003). ^7M. Z. Tokar, F. A. Kelly and X. Loozen, Phys. Plasmas 12, 052510 (2005).

Computer simulation of thermal conductivity in vulcanized polyisoprene at variable strain and temperature

NASA Astrophysics Data System (ADS)

Engelmann, Sven; Meyer, Jan; Hentschke, Reinhard

2017-08-01

We study the thermal conductivity tensor in an atomistic model of vulcanized cis-1,4-polyisoprene (PI) rubber via molecular dynamics simulations. Our polymer force field is based on V. A. Harmandaris et al. [J. Chem. Phys. 116, 436 (2002), 10.1063/1.1416872], whereas the polymerization algorithm follows the description in J. Hager et al. [Macromolecules 48, 9039 (2015), 10.1021/acs.macromol.5b01864]. The polymer chains are chemically cross linked via sulfur bridges of adjustable cross-link density. A volume-conserving uniaxial strain of up to 200% is applied to the systems. The widely used GROMACS simulation package is adapted to allow using the Green-Kubo approach to calculate the thermal conductivity tensor components. Our analysis of the heat flux autocorrelation functions leads to the conclusion that the thermal conductivity in PI is governed by short-lived phonon modes at low wave numbers due to deformation of the monomers along the polymer backbone. Applying uniaxial strain causes increased orientation of monomers along the strain direction, which enhances the attendant thermal conductivity component. We find an exponential increase of the conductivity in stretch direction in terms of an attendant orientation order parameter. This is accompanied by a simultaneous decline of thermal conductivity in the orthogonal directions. Increase of the cross-link density only has a weak effect on thermal conductivity in the unstrained system, even at high cross-link density. In the strained system we do observed a rising thermal conductivity in the limit of high stress. This increase is attributed to enhanced coupling between chains rather than to their orientation.

Thermal oxidative degradation of ethylene tetrafluoroethylene copolymer systems

NASA Astrophysics Data System (ADS)

Elders, Jonathan Patrick

Thermo-oxidative degradation of ethylene tetrafluoroethylene (ETFE) was investigated to determine how modifications for use in an electrical wire system affected its thermal stability. Modifications included electron irradiation and subsequent cross-linking during manufacture and contact with a metal surface. Samples with irradiation histories between 0 and 48 MRads were investigated. Degradation of ETFE was enhanced by contact with a metal "conductor" surface: silver - coated copper. Polymer degradation was analyzed by weight loss kinetics (thermogravimetric analysis (TGA)), changes in polymer morphology (differential scanning calorimetry (DSC)), optical microscopy, attenuated total reflectance (ATR) infrared spectroscopy, and gas chromatography - mass spectroscopy (GC/MS). Conductor aging (copper permeation through silver with subsequent oxidation) was investigated using scanning Auger Electron Spectroscopy (AES). Conductor aging is enhanced in the presence of the polymer surface. Interactions between conductor and polymer were analyzed by optical microscopy, scanning electron microscopy (SEM), and energy dispersive spectroscopy (EDS). The rate of polymer degradation from 220°C to 280°C was independent of time and extent of degradation, and rate was proportional to irradiation dose. The activation energy for degradation of unirradiated ETFE was 227 kJ/mol and decreased from 150 to 138 kJ/mol for ETFE irradiated to doses between 6 and 48 MRads. Rates of degradation at 300°C to 320°C were dependent on the extent of degradation. Rates of degradation at temperatures between 230°C and 310°C were an order of magnitude larger in the presence of a conductor than in its absence, and activation energies for degradation in the presence of conductor were reduced to 120 kJ/mol. Degradation was modeled as the combination of bulk polymer degradation and catalytic degradation at the polymer-metal interface. ETFE aged at 250°C in the presence or absence of a conductor exhibited a double melting endotherm. ATR spectra of aged ETFE indicated polymer oxidation. Based on AES experiments, copper permeation during aging in the presence or absence of ETFE was consistent with Fickian diffusion. The coefficient for copper diffusion through silver was approximately 10 -15 cm2/second, and catalytic ETFE degradation was proportional to conductor aging. The copper oxidized on the surface to yield a material with a stoichiometric composition of Cu3O 2.

Series of (2+1)-dimensional stable self-dual interacting conformal field theories

NASA Astrophysics Data System (ADS)

Cheng, Meng; Xu, Cenke

2016-12-01

Using the duality between seemingly different (2+1)-dimensional [(2 +1 )d ] conformal field theories (CFT) proposed recently [D. T. Son, Phys. Rev. X 5, 031027 (2015), 10.1103/PhysRevX.5.031027; M. A. Metlitski and A. Vishwanath, Phys. Rev. B 93, 245151 (2016), 10.1103/PhysRevB.93.245151; C. Wang and T. Senthil, Phys. Rev. X 6, 011034 (2015), 10.1103/PhysRevX.6.011034; C. Wang and T. Senthil, Phys. Rev. X 5, 041031 (2015), 10.1103/PhysRevX.5.041031; C. Wang and T. Senthil, Phys. Rev. B 93, 085110 (2016), 10.1103/PhysRevB.93.085110; C. Xu and Y.-Z. You, Phys. Rev. B 92, 220416 (2015), 10.1103/PhysRevB.92.220416; D. F. Mross et al., Phys. Rev. Lett. 117, 016802 (2016), 10.1103/PhysRevLett.117.016802; A. Karch and D. Tong, arXiv:1606.01893; N. Seiberg et al., arXiv:1606.01989; P.-S. Hsin and N. Seiberg, arXiv:1607.07457], we study a series of (2 +1 )d stable self-dual interacting CFTs. These CFTs can be realized (for instance) on the boundary of the 3 d bosonic topological insulator protected by U(1) and time-reversal symmetry (T ), and they remain stable as long as these symmetries are preserved. When realized as a boundary system, these CFTs can be driven into anomalous fractional quantum Hall states once T is broken. We demonstrate that the newly proposed dualities allow us to study these CFTs quantitatively through a controlled calculation, without relying on a large flavor number of matter fields. We also propose a numerical test for our results, which would provide strong evidence for the originally proposed duality between Dirac fermion and QED.

Protection of Conductive and Non-conductive Advanced Polymer-based Paints from Highly Aggressive Oxidative Environments

NASA Technical Reports Server (NTRS)

Gudimenko, Y.; Ng, R.; Iskanderova, Z.; Kleiman, J.; Grigorevsky, A.; Kiseleva, L.; Finckenor, M.; Edwards, D.

2005-01-01

Research has been continued to further improve the space durability of conductive and non-conductive polymer-based paints and of conductive thermal control paints for space applications. Efforts have been made to enhance the space durability and stability of functional Characteristics in ground-based space environment imitating conditions, using specially developed surface modification treatment. The results of surface modification of new conductive paints, including the ground-based testing in aggressive oxidative environments, such as atomic oxygen/UV and oxygen plasma, and performance evaluation are presented. Functional properties and performance characteristics, such as thermal optical properties (differential solar absorptance and thermal emittance representing the thermal optical performance of thermal control paints) and surface resistivity characteristics of pristine, surface modified, and tested materials were verified. Extensive surface analysis studies have been performed using complementary surface analyses including SEM/EDS and XPS. Test results revealed that the successfully treated materials exhibit reduced mass loss and no surface morphology change, thus indicating good protection from the severe oxidative environment. It was demonstrated that the developed surface modification treatment could be applied successfully to charge dissipative and conductive paints.

The effect of ionotropic gelation residence time on alginate cross-linking and properties.

PubMed

Patel, Mitulkumar A; AbouGhaly, Mohamed H H; Schryer-Praga, Jacqueline V; Chadwick, Keith

2017-01-02

The ability to engineer biocompatible polymers with controllable properties is highly desirable. One such approach is to cross-link carbohydrate polymers using ionotropic gelation (IG). Previous studies have investigated the effect of curing time on alginate cross-linking. Herein, we discuss a novel study detailing the effect of IG residence time (IGRT) on the cross-linking of alginate with calcium ions (Ca 2+ ) along with water migration (syneresis) and their subsequent impact on the pharmaceutical properties of alginate particles. IGRT was shown to have a significant effect on particle size, porosity, density, mechanical strength and swelling of calcium alginate particles as well as drug release mechanism. Furthermore, we describe a novel application of electron dispersive spectroscopy (EDS), in conjunction with Fourier Transform- infra red (FT-IR) spectroscopy, to analyze and monitor the changes in Ca 2+ concentration during cross-linking. A simple procedure to determine the concentration and distribution of the surface and internal Ca 2+ involved in alginate cross-linking was successfully developed. Copyright © 2016 Elsevier Ltd. All rights reserved.

Flexible chain molecules in the marginal and concentrated regimes: universal static scaling laws and cross-over predictions.

PubMed

Laso, Manuel; Karayiannis, Nikos Ch

2008-05-07

We present predictions for the static scaling exponents and for the cross-over polymer volumetric fractions in the marginal and concentrated solution regimes. Corrections for finite chain length are made. Predictions are based on an analysis of correlated fluctuations in density and chain length, in a semigrand ensemble in which mers and solvent sites exchange identities. Cross-over volumetric fractions are found to be chain length independent to first order, although reciprocal-N corrections are also estimated. Predicted scaling exponents and cross-over regimes are compared with available data from extensive off-lattice Monte Carlo simulations [Karayiannis and Laso, Phys. Rev. Lett. 100, 050602 (2008)] on freely jointed, hard-sphere chains of average lengths from N=12-500 and at packing densities from dilute ones up to the maximally random jammed state.

Relaxation spectra of binary blends: Extension of the Doi-Edwards theory

NASA Astrophysics Data System (ADS)

Tchesnokov, M. A.; Molenaar, J.; Slot, J. J. M.; Stepanyan, R.

2007-10-01

A molecular model is presented which allows the calculation of the stress relaxation function G for binary blends consisting of two monodisperse samples with arbitrary molecular weights. It extends the Doi-Edwards reptation theory (Doi M. and Edwards S. F., The Theory of Polymer Dynamics (Oxford Press, New York) 1986) to highly polydisperse melts by including constraint release (CR) and thermal fluctuations (CLF), yet making use of the same input parameters. The model reveals an explicit nonlinear dependence of CR frequency in the blend on the blend's molecular weight distribution (MWD). It provides an alternative way to quantify polydisperse systems compared to the widely used "double-reptation" theories. The results of the present model are in a good agreement with the experimental data given in Rubinstein M. and Colby R. H., J. Chem. Phys., 89 (1988) 5291.

Percolation mechanism drives actin gels to the critically connected state

NASA Astrophysics Data System (ADS)

Lee, Chiu Fan; Pruessner, Gunnar

2016-05-01

Cell motility and tissue morphogenesis depend crucially on the dynamic remodeling of actomyosin networks. An actomyosin network consists of an actin polymer network connected by cross-linker proteins and motor protein myosins that generate internal stresses on the network. A recent discovery shows that for a range of experimental parameters, actomyosin networks contract to clusters with a power-law size distribution [J. Alvarado, Nat. Phys. 9, 591 (2013), 10.1038/nphys2715]. Here, we argue that actomyosin networks can exhibit a robust critical signature without fine-tuning because the dynamics of the system can be mapped onto a modified version of percolation with trapping (PT), which is known to show critical behavior belonging to the static percolation universality class without the need for fine-tuning of a control parameter. We further employ our PT model to generate experimentally testable predictions.

Capsule physics comparison of National Ignition Facility implosion designs using plastic, high density carbon, and beryllium ablators

NASA Astrophysics Data System (ADS)

Clark, D. S.; Kritcher, A. L.; Yi, S. A.; Zylstra, A. B.; Haan, S. W.; Weber, C. R.

2018-03-01

Indirect drive implosion experiments on the National Ignition Facility (NIF) [E. I. Moses et al., Phys. Plasmas 16, 041006 (2009)] have now tested three different ablator materials: glow discharge polymer plastic, high density carbon, and beryllium. How do these different ablators compare in current and proposed implosion experiments on NIF? What are the relative advantages and disadvantages of each? This paper compares these different ablator options in capsule-only simulations of current NIF experiments and potential future designs. The simulations compare the impact of the capsule fill tube, support tent, and interface surface roughness for each case, as well as all perturbations in combination. According to the simulations, each ablator is impacted by the various perturbation sources differently, and each material poses unique challenges in the pursuit of ignition on NIF.

Doping, Strain, Orientation and Disorder of Graphene by Raman Spectroscopy

NASA Astrophysics Data System (ADS)

Ferrari, Andrea C.

2009-03-01

Raman spectroscopy is a fast and non-destructive method for the characterization of carbons [1]. These show two features: the G and D peaks, around 1580 and 1350cm-1 respectively. The G peak corresponds to the doubly degenerate E2g phonon at the Brillouin zone centre. The D peak is due to the breathing modes of sp^2 atoms and requires a defect for its activation [1-5]. It is common for as-prepared graphene not to have enough structural defects for the D peak to be seen [4,6], so that it can only be detected at the edges [6]. The most prominent feature in graphene is the second order 2D peak [6]. This is always seen, since no defects are required for its activation. Its shape distinguishes single and multi-layers [6]. Raman spectroscopy also monitors doping [7-9]. We report the evolution of the Raman spectra of single [7,8] and bi-layer [9] graphene as a function of doping. A Fermi level shift is induced either by applying a bottom gate [7], or by a polymeric top gate [8,9], or naturally happens as a result of charged impurities [10]. This induces a stiffening of the Raman G peak for both hole and electron doping [7]. This is explained including dynamic corrections to the adiabatic Born-Oppenheimer approximation [7]. The phonon renormalization of bilayer graphene has characteristic features compared to single layer. This allows a direct estimation of the interlayer coupling [7-9]. We then consider the effects strain. Uniaxial strain lifts the E2g degeneracy and splits the G peak in two: G^+ and G^-. The peaks downshift as a function of strain allows a direct measurement of the Gruneisen parameter [10]. The polarization dependence of the G^+/G^- modes is a probe of the crystallographic orientation of the sample [10]. Finally, we consider the effect of disorder [3,4,11] and show how to discriminate between disorder, strain and doping [11]. We will also discuss how the D peak is a signature of π electron localisation, and, thus, of gap opening in chemically modified graphene[12]. [4pt] 1. A. C. Ferrari, J. Robertson (eds), Raman spectroscopy in carbons: from nanotubes to diamond, Theme Issue, Phil. Trans. Roy. Soc. 362, 2267 (2004). 2. F. Tuinstra, J.L. Koening, J. Chem. Phys. 53, 1126(1970). 3. A. C. Ferrari, J. Robertson Phys Rev B 61, 14095 (2000); 64, 075414 (2001) 4. A. C. Ferrari Solid State Comm.143, 47 (2007) 5. S. Piscanec et al. Phys. Rev. Lett. 93, 185503 (2004) 6. A. C. Ferrari et al. Phys. Rev. Lett. 97, 187401 (2006) 7. S. Pisana et al. Nature Mater. 6, 198 (2007) 8. A. Das et al, Nature Nano 3, 210 (2008). 9. A. Das et al., arXiv:0807.1631v1 (2008) 10. A. C. Ferrari et al. submitted (2008) 11. C. Casiraghi et al. Appl. Phys Lett. 91, 233108 (2007) 12. Elias et al. arXiv:0810.4706 (2008)

Laser Spectroscopic Study on Oxygen Isotope Effects in Ozone Surface Decomposition

NASA Astrophysics Data System (ADS)

Minissale, Marco; Boursier, Corinne; Elandaloussi, Hadj; Te, Yao; Jeseck, Pascal; Rouille, Christian; Zanon-Willette, Thomas; Janssen, Christof

2016-04-01

The isotope kinetics of ozone formation in the Chapman reaction [1] O + O2 + M → O3 + M (1) provides the primary example for a chemically induced oxygen isotope anomaly and is associated with large [2] and mass independent [3] oxygen isotope enrichments in the product molecule, linked to a symmetry selection in the ozone formation kinetics [4-5]. The isotopic composition of ozone and its transfer to other molecules is a powerful tracer in the atmospheric and biogeochemical sciences [6] and serves as a primary model for a possible explanation of the oxygen isotopic heterogeneity in the Solar system [7-8]. Recently, the isotope fractionation in the photolytic decomposition process O3 + hν → O2 + O (2) using visible light has been studied in detail [9-10]. Much less is currently known about the isotope fractionation in the dry deposition or in the gas phase thermal decomposition of ozone O3 + M → O2 + O +M. (3) Here we report on first spectroscopic studies of non-photolytic ozone decomposition using a cw-quantum cascade laser at 9.5 μm. The concentration of individual ozone isotopomers (16O3,16O16O17O, and 16O17O16O) in a teflon coated reaction cell is followed in real time at temperatures between 25 and 150 °C. Observed ozone decay rates depend on homogeneous (reaction (3)) processes in the gas phase and on heterogeneous reactions on the wall. A preliminary analysis reveals agreement with currently recommended ozone decay rates in the gas phase and the absence of a large symmetry selection in the surface decomposition process, indicating the absence of a mass independent fractionation effect. This result is in agreement with previous mass spectrometer (MS) studies on heterogeneous ozone formation on pyrex [11], but contradicts an earlier MS study [12] on ozone surface decomposition on pyrex and quartz. Implications for atmospheric chemistry will be discussed. [1] Morton, J., Barnes, J., Schueler, B. and Mauersberger, K. J. Geophys. Res. 95, 901 - 907 (1990). [2] Mauersberger, K. Geophys. Res. Lett. 8, 935-937 (1981). [3] Thiemens, M. H. and Heidenreich, J. E. Science 219, 1073 - 1075 (1983). [4] Janssen, C., Guenther, J., Mauersberger, K. and Krankowsky, D. Phys. Chem. Chem. Phys. 3, 4718-4721 (2001). [5] Gao, Y. Q. and Marcus, R. A. Science 293, 259-263 (2001). [6] Brenninkmeijer, C. A. M. et al. Chem. Rev. 103, 5125 - 5162 (2003). [7] Thiemens, M. H. and Shaheen, in Treatise on Geochemistry, Holland H. and Turekian K. eds., 151 - 177 (2014). [8] Marcus, R. A. J. Chem. Phys. 121, 8201 - 8211 (2004). [9] Früchtl, M., Janssen, C. and Röckmann, T. J. Geophys. Res. Atmos. 120, 4398 - 4416 (2015). [10] Früchtl, M., Janssen, C., Taraborrelli, D., Gromov, S. and Röckmann, T. Geophys. Res. Lett. (2015). [11] Janssen, C. and Tuzson, B. J. Phys. Chem. A 114, 9709-9719 (2010). [12] Chakraborty, S. and Bhattacharya, S. K. Chem. Phys. Lett. 369, 662-667 (2003).

Aging and Rejuvenation with Fractional Derivatives

DTIC Science & Technology

2004-09-10

Chechkin , J. Klafter, V . Yu . Gonchar , R. Metzler, and L. V . Tanatarov, Phys. Rev. E 67, 010102(R) (2003). [12] I. M. Sokolov and R. Metzler, Phys. Rev. E 67...051106 (2001). [7] A . V . Chechkin , R. Gorenflo, and I. M. Sokolov, Phys. Rev. E 66, 046129 (2002). [8] J. Bisquert, Phys. Rev. Lett. 91, 010602 (2003...9] R. Metzler and J. Klafter, J. Phys. Chem. B 104 3851 (2000). [10] E. Barkai and R. J. Silbey, J. Phys. Chem. B 104 3866 (2000).

Dirac quasiparticle tunneling in a NG/ferromagnetic barrier/SG graphene junction

NASA Astrophysics Data System (ADS)

Soodchomshom, Bumned; Tang, I.-Ming; Hoonsawat, Rassmidara

2009-07-01

We study the tunneling conductance in a spin dependent barrier NG/F B/SG graphene junction, where NG, F B and SG are normal graphene, gate ferromagnetic graphene barrier with thickness d and the graphene s-wave superconductor, respectively. In our work, the quasiparticle scattering process at the interfaces is based on quasi particles governed by the Dirac Bogoliubov-de Gennes equation with effective speed of light vF ∼ 10 6 m/s. The conductance of the junction is calculated based on Blonder-Tinkham-Klapwijk (BTK) formalism. The oscillatory conductance under varying gate potential and exchange energy in F B and the conductance induced by specular Andreev reflection are studied. By taking into account both effects of barrier strengths due to the gate potential χ∼Vd/ℏv and the exchange energy χ∼Ed/ℏv in the F B region, we find that the zero bias conductance of junction depends only on the ferromagnetic barrier strength χex in F B, when the Fermi energy in SG is very much larger than that the Fermi energy in NG ( EFS ≫ EFN). The oscillatory conductance peaks can be controlled by either varying χex or χG. In the limiting case, by setting Eex = 0, the conductance in a NG/N B/SG graphene junction, where SG is the s-wave superconductor, is also studied in order to compare with two earlier contradicted data. Our result agrees with what was obtained by Linder and Sudbo [J. Linder, A. Sudbo, Phys. Rev. B 77 (2008) 64507], which confirms the contradiction to what was given by Bhattacharjee and Sengupta [S. Bhattacharjee, K. Sengupta, Phys. Rev. Lett. 97 (2006) 217001].

Molecular Spectra of RbSr: Helium Droplet Assisted Preparation of a Diatomic Molecule

NASA Astrophysics Data System (ADS)

Lackner, Florian; Krois, Günter; Buchsteiner, Thomas; Pototschnig, Johann V.; Ernst, Wolfgang E.

2014-06-01

We report on the first spectroscopic investigation of the ground and excited states of RbSr. The molecules are prepared in their vibronic ground state (X^2Σ^+1/2, ν" = 0) in a sequential pickup process on the surface of helium nanodroplets, confined in a cold (0.38 K) and weakly perturbing superfluid environment. Utilizing resonance-enhanced multi-photon ionization time-of-flight (REMPI-TOF) spectroscopy and laser induced fluorescence (LIF) spectroscopy our investigations cover the spectral regime of 11500 cm-1 - 23000 cm-1. The weak interaction between molecules and helium droplets causes a broadening of the observed transitions. For spectrally resolved band systems the helium droplet isolation approach facilitates the determination of molecular constants. Our assignment is assisted by theoretical calculations of potential energy curves based on a multireference configuration interaction (MRCI) approach. Several strong transitions could be identified; the most prominent spectral feature is a vibrational resolved band system at 14000 cm-1. In contrast to the excitation spectra, dispersed fluorescence (DF) spectra are not influenced by the helium environment, because the molecules leave the droplets upon photoexcitation, revealing detailed insights into the electronic structure of the free RbSr molecule. G. Krois, J.V. Pototschnig, F. Lackner and W.E. Ernst, J. Phys. Chem. A, 117 (50), 13719-13731 (2013) C. Callegari and W. E. Ernst, Helium Droplets as Nanocryostats for Molecular Spectroscopy - from the Vacuum Ultraviolet to the Microwave Regime, in: Handbook of High-Resolution Spectroscopy, eds. M. Quack and F. Merkt, John Wiley & Sons, Chichester, (2011) P.S. Żuchowski, R. Guerout, and O. Dulieu, arXiv preprint arXiv:1402.0702 (2014) B. Pasquiou, A. Bayerle, S.M. Tzanova, S. Stellmer, J. Szczepkowski, M. Parigger, R. Grimm, and F. Schreck, Phys. Rev. A, 88 (2), 023601 (2013).

Three-electron spin qubits

NASA Astrophysics Data System (ADS)

Russ, Maximilian; Burkard, Guido

2017-10-01

The goal of this article is to review the progress of three-electron spin qubits from their inception to the state of the art. We direct the main focus towards the exchange-only qubit (Bacon et al 2000 Phys. Rev. Lett. 85 1758-61, DiVincenzo et al 2000 Nature 408 339) and its derived versions, e.g. the resonant exchange (RX) qubit, but we also discuss other qubit implementations using three electron spins. For each three-spin qubit we describe the qubit model, the envisioned physical realization, the implementations of single-qubit operations, as well as the read-out and initialization schemes. Two-qubit gates and decoherence properties are discussed for the RX qubit and the exchange-only qubit, thereby completing the list of requirements for quantum computation for a viable candidate qubit implementation. We start by describing the full system of three electrons in a triple quantum dot, then discuss the charge-stability diagram, restricting ourselves to the relevant subsystem, introduce the qubit states, and discuss important transitions to other charge states (Russ et al 2016 Phys. Rev. B 94 165411). Introducing the various qubit implementations, we begin with the exchange-only qubit (DiVincenzo et al 2000 Nature 408 339, Laird et al 2010 Phys. Rev. B 82 075403), followed by the RX qubit (Medford et al 2013 Phys. Rev. Lett. 111 050501, Taylor et al 2013 Phys. Rev. Lett. 111 050502), the spin-charge qubit (Kyriakidis and Burkard 2007 Phys. Rev. B 75 115324), and the hybrid qubit (Shi et al 2012 Phys. Rev. Lett. 108 140503, Koh et al 2012 Phys. Rev. Lett. 109 250503, Cao et al 2016 Phys. Rev. Lett. 116 086801, Thorgrimsson et al 2016 arXiv:1611.04945). The main focus will be on the exchange-only qubit and its modification, the RX qubit, whose single-qubit operations are realized by driving the qubit at its resonant frequency in the microwave range similar to electron spin resonance. Two different types of two-qubit operations are presented for the exchange-only qubits which can be divided into short-ranged and long-ranged interactions. Both of these interaction types are expected to be necessary in a large-scale quantum computer. The short-ranged interactions use the exchange coupling by placing qubits next to each other and applying exchange-pulses (DiVincenzo et al 2000 Nature 408 339, Fong and Wandzura 2011 Quantum Inf. Comput. 11 1003, Setiawan et al 2014 Phys. Rev. B 89 085314, Zeuch et al 2014 Phys. Rev. B 90 045306, Doherty and Wardrop 2013 Phys. Rev. Lett. 111 050503, Shim and Tahan 2016 Phys. Rev. B 93 121410), while the long-ranged interactions use the photons of a superconducting microwave cavity as a mediator in order to couple two qubits over long distances (Russ and Burkard 2015 Phys. Rev. B 92 205412, Srinivasa et al 2016 Phys. Rev. B 94 205421). The nature of the three-electron qubit states each having the same total spin and total spin in z-direction (same Zeeman energy) provides a natural protection against several sources of noise (DiVincenzo et al 2000 Nature 408 339, Taylor et al 2013 Phys. Rev. Lett. 111 050502, Kempe et al 2001 Phys. Rev. A 63 042307, Russ and Burkard 2015 Phys. Rev. B 91 235411). The price to pay for this advantage is an increase in gate complexity. We also take into account the decoherence of the qubit through the influence of magnetic noise (Ladd 2012 Phys. Rev. B 86 125408, Mehl and DiVincenzo 2013 Phys. Rev. B 87 195309, Hung et al 2014 Phys. Rev. B 90 045308), in particular dephasing due to the presence of nuclear spins, as well as dephasing due to charge noise (Medford et al 2013 Phys. Rev. Lett. 111 050501, Taylor et al 2013 Phys. Rev. Lett. 111 050502, Shim and Tahan 2016 Phys. Rev. B 93 121410, Russ and Burkard 2015 Phys. Rev. B 91 235411, Fei et al 2015 Phys. Rev. B 91 205434), fluctuations of the energy levels on each dot due to noisy gate voltages or the environment. Several techniques are discussed which partly decouple the qubit from magnetic noise (Setiawan et al 2014 Phys. Rev. B 89 085314, West and Fong 2012 New J. Phys. 14 083002, Rohling and Burkard 2016 Phys. Rev. B 93 205434) while for charge noise it is shown that it is favorable to operate the qubit on the so-called ‘(double) sweet spots’ (Taylor et al 2013 Phys. Rev. Lett. 111 050502, Shim and Tahan 2016 Phys. Rev. B 93 121410, Russ and Burkard 2015 Phys. Rev. B 91 235411, Fei et al 2015 Phys. Rev. B 91 205434, Malinowski et al 2017 arXiv: 1704.01298), which are least susceptible to noise, thus providing a longer lifetime of the qubit.

Synthesis of carbon nanostructures from high density polyethylene (HDPE) and polyethylene terephthalate (PET) waste by chemical vapour deposition

NASA Astrophysics Data System (ADS)

Hatta, M. N. M.; Hashim, M. S.; Hussin, R.; Aida, S.; Kamdi, Z.; Ainuddin, AR; Yunos, MZ

2017-10-01

In this study, carbon nanostructures were synthesized from High Density Polyethylene (HDPE) and Polyethylene terephthalate (PET) waste by single-stage chemical vapour deposition (CVD) method. In CVD, iron was used as catalyst and pyrolitic of carbon source was conducted at temperature 700, 800 and 900°C for 30 minutes. Argon gas was used as carrier gas with flow at 90 sccm. The synthesized carbon nanostructures were characterized by FESEM, EDS and calculation of carbon yield (%). FESEM micrograph shows that the carbon nanostructures were only grown as nanofilament when synthesized from PET waste. The synthesization of carbon nanostructure at 700°C was produced smooth and the smallest diameter nanofilament compared to others. The carbon yield of synthesized carbon nanostructures from PET was lower from HDPE. Furthermore, the carbon yield is recorded to increase with increasing of reaction temperature for all samples. Elemental study by EDS analysis were carried out and the formation of carbon nanostructures was confirmed after CVD process. Utilization of polymer waste to produce carbon nanostructures is beneficial to ensure that the carbon nanotechnology will be sustained in future.

Far Infrared, Magnetic and Electronic Studies of High Tc Superconducting Materials

DTIC Science & Technology

1992-09-30

Phys. Rev. Left. 63, 2421(1989). 8. K. H. Fischer and T. Nattermann, Phys. Rev. .43, 10372(1991). 9. R. E. Walstedt, R. F. Bell, and D. B. Mitzi , Phys...Duran, J. Yazyi, F. dela Cruz, D. J. Bishop, D. B. Mitzi , and A. Kapitulnik, Phys. Rev. B 44, 17737(1991). 14. Y. Yeshurun and A. P. Malozemoff, Phys

Preliminary Results on the Corrosion Behaviour of a New Biodegradable Metallic Material Based on Zinc

NASA Astrophysics Data System (ADS)

Dobriţa, S.; Istrate, B.; Cimpoeşu, N.; Stanciu, S.; Apostol, V.; Cimpoeşu, R.; Ioniţă, I.; Paraschiv, P.

2018-06-01

The class of biomaterials (metallic, polymer or ceramics) has applications as implants with a temporary function. Among magnezium (high corrosion rate) and iron (slow corrosion rate) based biodegradable alloys a new class based on zinc try to fullfill the gap between the first two alloy systems concerning the degradation rate. The role of these alloys is to provide some specific characteristics for a limited period of time. In this article preliminary results based on microstructural and chemical characteristics of a Zn-Mg alloy are presented. The results were obtained using optical and electronic microscopy (MO and SEM) and dispersive energy spectroscpy (EDS) and X-ray difraction (XRD).

Determination of oligomeric chain length distributions at surfaces using ToF-SIMS: segregation effects and polymer properties

NASA Astrophysics Data System (ADS)

Gardella, Joseph A.; Mahoney, Christine M.

2004-06-01

While many XPS and SIMS studies of polymers have detected and quantified segregation of low surface energy blocks or components in copolymers and polymer blends [D. Briggs, in: D.R. Clarke, S. Suresh, I.M. Ward (Eds.), Surface Analysis of Polymers by XPS and Static SIMS, Cambridge University Press, Cambridge, 1998 (Chapter 5).], this paper reports ToF-SIMS studies of direct measurement of the segment length distribution at the surface of siloxane copolymers. These data allow insight into the segregation of particular portions of the oligomeric distribution; specifically, in this study, longer PDMS oligomers segregated at the expense of shorter PDMS chains. We have reported XPS analysis of competitive segregation effects for short PDMS chains [Macromolecules 35 (13) (2002) 5256]. In this study, a series of poly(ureaurethane)-poly(dimethylsiloxane) (PUU-PDMS) copolymers have been synthesized containing varying ratios of G-3 and G-9 (G- X describes the average segment length of the PDMS added), while maintaining a constant overall siloxane weight percentage (10, 30, and 60%). These copolymers were utilized as model systems to study the preferential segregation of certain siloxane segment lengths to the surface over others. ToF-SIMS analysis of PUU-PDMS copolymers has yielded high-mass range copolymer fragmentation patterns containing intact PDMS segments. For the first time, this information is utilized to determine PDMS segment length distributions at the copolymer surface as compared to the bulk. The results show that longer siloxane segment lengths are preferentially segregating to the surface over shorter chain lengths. These results also show the importance of ToF-SIMS and mass spectrometry in the development of new materials containing low molecular weight amino-propyl-terminated siloxanes.

Evaluation of structural and optical properties of Ce3+ ions doped (PVA/PVP) composite films for new organic semiconductors

NASA Astrophysics Data System (ADS)

Ali, F. M.; Kershi, R. M.; Sayed, M. A.; AbouDeif, Y. M.

2018-06-01

Polymer blend films based on Polyvinyl alcohol (PVA)/Poly(vinylpyrrolidone) (PVP) doped with different concentration of cerium ions [(PVA/PVP)-x wt.% Ce3+] (x = 3%, 5%, 10% and 15%) were prepared by the conventional solution casting technique. The characteristics of the prepared polymer composite films were studied using X-ray diffraction (XRD), FT-IR and UV-Vis. spectroscopy. The XRD patterns of the investigated samples revealed a clear reduction on the structural parameters such as crystallinity degree and cluster size D of the doped PVA/PVP blend films compared with the virgin one whereas there is no big difference in the d spacing of the product composite films. Significant changes in FT-IR spectra are observed which reveal an interactions between the cerium ions and PVA/PVP blends. The absorption spectra in the ultraviolet-visible region showed a wide red shift in the fundamental absorption edge of (PVA/PVP)-x wt. % Ce3+ composites. The optical gap Eg gradually decreased from 4.54 eV for the undoped PVA/PVP film to 3.10 eV by increasing Ce3+ ions content. The optical dispersion parameters have been analyzed according to Wemple-Didomenico single oscillator model. The dispersion energy Ed, the single oscillator energy Eo, the average inter-band oscillator wavelength λo and the static refractive index no are strongly affected by cerium ions doping. Cerium ions incorporation in PVA/PVP blend films leads to a significant increase in the refractive index and decrease in the optical gap. These results are likely of great important in varieties of applications including polymer waveguides, organic semiconductors, polymer solar cells and optoelectronics devices.

Investigation of the High, Finite n Ballooning Mode Limit for Compact Quasi-Axially Symmetric Stellarators

NASA Astrophysics Data System (ADS)

Redi, Martha; Canik, John; Fredrickson, E.; Fu, G.; Nuehrenberg, C.; Boozer, A. H.

2000-10-01

The standard ballooning-mode beta limit comes from an infinite-n, radially local, ideal magnetohydrodynamic (MHD) calculation. Finite-n ballooning modes have been observed in tokamak plasmas [1]. Investigations of optimized quasiaxially symmetric stellarators with three dimensional, global, ideal MHD codes have recently shown good stability for the external kink, ``vertical" and infinite-n ballooning modes [2,3]. However, infinite-n ballooning stability may be too restrictive, due to its sensitivity to features in the local shear and curvature. The CAS3D [4] code is being used to compare the stability of the high-n ballooning modes to the infinite-n calculations from TERPSICHORE [5]. [1] E. Fredrickson, et al. Phys. Plas. 3 (1996) 2620. [2] G. Fu, Phys. Plas. 7 (2000)1079; Phys. Plas. 7 (2000) 1809. M. Redi, et al. Phys. Plas 7 (2000)1911. [3] A. Reiman, et al., Plas. Phys. Cont. Fus. 41 (1999) B273. [4] C. Nuehrenberg, Phys. Plas. 6 (1999) 275. C. Nuehrenberg, Phys. Plas. 3 (1996) 2401. C. Schwab, Phys. Fluids B5 (1993) 3195. [5] W. A. Cooper, Phys. Plas. 3 (1996) 275.

The high throughput investigation of polyphenolic couplers in biodegradable packaging materials

NASA Astrophysics Data System (ADS)

Lochhead, Robert Y.; Haynes, Camille T.; Jones, Stephen R.; Smith, Virginia

2006-01-01

Our goal is to select and develop stimuli-responsive interfacial coupling materials for nanocomposites that will enhance substrate mechanical properties during use but cause triggered disintegration when exposed to the appropriate aqueous environment. The study could potentially provide the scientific underpinning for the development of an interfacially interacting nanocomposite alloy capable of enhanced biodegradation in the aqueous environment. In the first stage of this study it was shown that quaternary ammonium polymers adsorbed on the faces of the montmorillonite platelets, non-ionic polyacrylamides adsorbed on the faces and edges by hydrogen bonding, and anionic polyelectrolytes, carboxylates and sulfonates, did not adsorb at all on the montmorillonite [R.Y. Lochhead, C.L. McConnell-Boykin, An investigative study of polymer adsorption to smectite clay: polyelectrolytes and sodium montmorillonite, in: R. Krishnamoorti, R. Vaia (Eds.), Polymer Nanocomposites, American Chemical Society, 2002; R.Y. Lochhead, C.L. McConnell-Boykin, C. Haynes, Interaction of hydrophilic polymers with smectite clays, Polymer Materials Science and Engineering, vol. 85, American Chemical Society, 2001, p. 419]. The objective of the second part of the study was to examine model polymers in order to guide research aimed at designing coupling polymers that would cause exfoliation of the clay. Based upon the earlier study, polyvinylamine was chosen as the model on the basis that it is a simple polymer with primary amine groups and the polymer charge density could be modified by simply changing the system pH. The aim of this research was to determine the conditions under which polyvinylamine, and selected derivatives of this polymer, would penetrate the galleries of the stacked montmorillonite platelets. The knowledge gained could be applied to predict systems that would facilitate intercalation or exfoliation of sodium montmorillonite. The investigative approach of the third stage was to create a coupler from the hydrogen-bonded coacervate formed between a polyphenolic compound and polyvinylpyrrolidone, and to use this to exfoliate and couple montmorillonite nanoparticles to polycaprolactone. To achieve this, solubility parameter mapping of candidate polymeric couplers, polycaprolactone and target polyphenolic compounds was undertaken. This was used as a screening process in predicting incompatibilities and eliminating unpromising materials that were soluble in the same materials as the polycaprolactone and the polyvinylpyrrolidone. High throughput generation of Hansen-Hoy solubility diagrams coupled with simple techniques like high throughput FT-IR spectroscopy and polarized light microscopy provide a powerful tool for the evaluation of compatibility between formulation components. We were able to quickly evaluate over 110 food-contact-approved phenolic compounds, select the two promising candidates and eliminate all of the rest by evaluating their propensity for compatibility and hydrogen bonding.

Link-Prediction Enhanced Consensus Clustering for Complex Networks (Open Access)

DTIC Science & Technology

2016-05-20

92:022816. Available from: http://link.aps.org/doi/10.1103/PhysRevE.92.022816. doi: 10. 1103 /PhysRevE.92.022816 16. Aldecoa R, Marín I. Exploring the...from: http://link.aps.org/doi/10.1103/PhysRevE.80.056117. doi: 10. 1103 /PhysRevE.80.056117 18. Dahlin J, Svenson P. Ensemble approaches for improving...046110. Available from: http://link.aps.org/doi/10.1103/PhysRevE.81.046110. doi: 10. 1103 /PhysRevE.81.046110 28. Gfeller D, Chappelier JC, De Los Rios P

A stoichiometric calibration method for dual energy computed tomography

NASA Astrophysics Data System (ADS)

Bourque, Alexandra E.; Carrier, Jean-François; Bouchard, Hugo

2014-04-01

The accuracy of radiotherapy dose calculation relies crucially on patient composition data. The computed tomography (CT) calibration methods based on the stoichiometric calibration of Schneider et al (1996 Phys. Med. Biol. 41 111-24) are the most reliable to determine electron density (ED) with commercial single energy CT scanners. Along with the recent developments in dual energy CT (DECT) commercial scanners, several methods were published to determine ED and the effective atomic number (EAN) for polyenergetic beams without the need for CT calibration curves. This paper intends to show that with a rigorous definition of the EAN, the stoichiometric calibration method can be successfully adapted to DECT with significant accuracy improvements with respect to the literature without the need for spectrum measurements or empirical beam hardening corrections. Using a theoretical framework of ICRP human tissue compositions and the XCOM photon cross sections database, the revised stoichiometric calibration method yields Hounsfield unit (HU) predictions within less than ±1.3 HU of the theoretical HU calculated from XCOM data averaged over the spectra used (e.g., 80 kVp, 100 kVp, 140 kVp and 140/Sn kVp). A fit of mean excitation energy (I-value) data as a function of EAN is provided in order to determine the ion stopping power of human tissues from ED-EAN measurements. Analysis of the calibration phantom measurements with the Siemens SOMATOM Definition Flash dual source CT scanner shows that the present formalism yields mean absolute errors of (0.3 ± 0.4)% and (1.6 ± 2.0)% on ED and EAN, respectively. For ion therapy, the mean absolute errors for calibrated I-values and proton stopping powers (216 MeV) are (4.1 ± 2.7)% and (0.5 ± 0.4)%, respectively. In all clinical situations studied, the uncertainties in ion ranges in water for therapeutic energies are found to be less than 1.3 mm, 0.7 mm and 0.5 mm for protons, helium and carbon ions respectively, using a generic reconstruction algorithm (filtered back projection). With a more advanced method (sinogram affirmed iterative technique), the values become 1.0 mm, 0.5 mm and 0.4 mm for protons, helium and carbon ions, respectively. These results allow one to conclude that the present adaptation of the stoichiometric calibration yields a highly accurate method for characterizing tissue with DECT for ion beam therapy and potentially for photon beam therapy.

Study of Fractal Features of Geomagnetic Activity Through an MHD Shell Model

NASA Astrophysics Data System (ADS)

Dominguez, M.; Nigro, G.; Munoz, V.; Carbone, V.

2013-12-01

Studies on complexity have been of great interest in plasma physics, because they provide new insights and reveal possible universalities on issues such as geomagnetic activity, turbulence in laboratory plasmas, physics of the solar wind, etc. [1, 2]. In particular, various studies have discussed the relationship between the fractal dimension, as a measure of complexity, and physical processes in magnetized plasmas such as the Sun's surface, the solar wind and the Earth's magnetosphere, including the possibility of forecasting geomagnetic activity [3, 4, 5]. Shell models are low dimensional dynamical models describing the main statistical properties of magnetohydrodynamic (MHD) turbulence [6]. These models allow us to describe extreme parameter conditions hence reaching very high Reynolds (Re) numbers. In this work a MHD shell model is used to describe the dissipative events which are taking place in the Earth's magnetosphere and causing geomagnetic storms. The box-counting fractal dimension (D) [7] is calculated for the time series of the magnetic energy dissipation rate obtained in this MHD shell model. We analyze the correlation between D and the energy dissipation rate in order to make a comparison with the same analysis made on the geomagnetic data. We show that, depending on the values of the viscosity and the diffusivity, the fractal dimension and the occurrence of bursts exhibit correlations similar as those observed in geomagnetic and solar data, [8] suggesting that the latter parameters could play a fundamental role in these processes. References [1] R. O. Dendy, S. C. Chapman, and M. Paczuski, Plasma Phys. Controlled Fusion 49, A95 (2007). [2] T. Chang and C. C. Wu, Phys. Rev. E 77, 045401 (2008). [3] R. T. J. McAteer, P. T. Gallagher, and J. Ireland, Astrophys. J. 631, 628 (2005). [4] V. M. Uritsky, A. J. Klimas, and D. Vassiliadis, Adv. Space Res. 37, 539 (2006). [5] S. C. Chapman, B. Hnat, and K. Kiyani, Nonlinear Proc. Geophys. 15, 445 (2008). [6] G. Boffetta, V. Carbone, P. Giuliani, P. Veltri, and A. Vulpiani, Phys. Rev. Lett. 83, 4662 (1999). [7] P. S. Addison, Fractals and Chaos, an Illustrated Course, vol. 1 (Institute of Physics Publishing, Bristol and Philadelphia, 1997), second ed. [8] M. Domínguez, V. Muñoz, and J. A. Valdivia, Temporal evolution of fractality in the Earth's magnetosphere and the solar photosphere, in preparation.

Properties of Nonabelian Quantum Hall States

NASA Astrophysics Data System (ADS)

Simon, Steven H.

2004-03-01

The quantum statistics of particles refers to the behavior of a multiparticle wavefunction under adiabatic interchange of two identical particles. While a three dimensional world affords the possibilities of Bosons or Fermions, the two dimensional world has more exotic possibilities such as Fractional and Nonabelian statistics (J. Frölich, in ``Nonperturbative Quantum Field Theory", ed, G. t'Hooft. 1988). The latter is perhaps the most interesting where the wavefunction obeys a ``nonabelian'' representation of the braid group - meaning that braiding A around B then B around C is not the same as braiding B around C then A around B. This property enables one to think about using these exotic systems for robust topological quantum computation (M. Freedman, A. Kitaev, et al, Bull Am Math Soc 40, 31 (2003)). Surprisingly, it is thought that quasiparticles excitations with such nonabelian statistics may actually exist in certain quantum Hall states that have already been observed. The most likely such candidate is the quantum Hall ν=5/2 state(R. L. Willett et al, Phys. Rev. Lett. 59, 1776-1779 (1987)), thought to be a so-called Moore-Read Pfaffian state(G. Moore and N. Read, Nucl Phys. B360 362 (1991)), which can be thought of as a p-wave paired superconducting state of composite fermions(M. Greiter, X. G. Wen, and F. Wilczek, PRL 66, 3205 (1991)). Using this superconducting analogy, we use a Chern-Simons field theory approach to make a number of predictions as to what experimental signatures one should expect for this state if it really is this Moore-Read state(K. Foster, N. Bonesteel, and S. H. Simon, PRL 91 046804 (2003)). We will then discuss how the nonabelian statistics can be explored in detail using a quantum monte-carlo approach (Y. Tserkovnyak and S. H. Simon, PRL 90 106802 (2003)), (I. Finkler, Y. Tserkovnyak, and S. H. Simon, work in progress.) that allows one to explicitly drag one particle around another and observe the change in the wavefunctions. Unfortunately, it turns out that the Moore-Read state is not suited for topological quantum computationfootnote[3]M. Freedman, A. Kitaev, et al, Bull Am Math Soc 40, 31 (2003). so we will turn our attention to more the so-called parafermionic states(E. Rezayi and N. Read, Phys. Rev. B 59, 8084-8092 (1999).) which may also exist in nature.

Dynamic and temperature dependent response of physical vapor deposited Se in freely standing nanometric thin films

NASA Astrophysics Data System (ADS)

Yoon, Heedong; McKenna, Gregory B.

2016-05-01

Here, we report results from an investigation of nano-scale size or confinement effects on the glass transition and viscoelastic properties of physical vapor deposited selenium films. The viscoelastic response of freely standing Se films was determined using a biaxial membrane inflation or bubble inflation method [P. A. O'Connell and G. B. McKenna, Science 307, 1760-1763 (2005)] on films having thicknesses from 60 to 267 nm and over temperatures ranging from Tg, macroscopic - 15 °C to Tg, macroscopic + 21 °C. Time-temperature superposition and time-thickness superposition were found to hold for the films in the segmental dispersion. The responses are compared with macroscopic creep and recoverable creep compliance data for selenium [K. M. Bernatz et al., J. Non-Cryst. Solids 307, 790-801 (2002)]. The time-temperature shift factors for the thin films show weaker temperature dependence than seen in the macroscopic behavior, being near to Arrhenius-like in their temperature dependence. Furthermore, the Se films exhibit a "rubbery-like" stiffening that increases as film thickness decreases similar to prior observations [P. A. O'Connell et al., Macromolecules 45(5), 2453-2459 (2012)] for organic polymers. In spite of the differences from the macroscopic behavior in the temperature dependence of the viscoelastic response, virtually no change in Tg as determined from the thickness dependence of the retardation time defining Tg was observed in the bubble inflation creep experiments to thicknesses as small as 60 nm. We also find that the observed rubbery stiffening is consistent with the postulate of K. L. Ngai et al. [J. Polym. Sci., Part B: Polym. Phys. 51(3), 214-224 (2013)] that it should correlate with the change of the macroscopic segmental relaxation.

Editorial

NASA Astrophysics Data System (ADS)

2003-06-01

In December 2002 we announced some changes to Journal of Physics B: Atomic, Molecular and Optical Physics: an extended scope to highlight the wide range of articles published in the journal and a new definition of Letters to the Editor. As always, comments and suggestions are welcome and should be sent to jphysb@iop.org. Extended scope of J. Phys. B J. Phys. B covers all aspects of atomic, molecular and optical physics. We publish articles on the study of atoms, ions, molecules, condensates or clusters, from their structure and interactions with particles, photons, fields and surfaces to all aspects of spectroscopy. Quantum optics, non-linear optics, laser physics, astrophysics, plasma physics, chemical physics, optical cooling and trapping and other investigations where the objects of study are the elementary atomic, ionic or molecular properties of processes are also included. With the introduction of the BEC Matters! portal and IOP Select, J. Phys. B, one of the major contributors, offers authors of articles in this research area wider visibility and more flexible publication with the opportunity to display multimedia attachments or web links to key groups and results. The recent papers listed below reflect the wide scope of J. Phys. B: Calculation of cross sections for very low-energy hydrogen-antihydrogen scattering using the Kohn variational method E A G Armour and C W Chamberlain J. Phys. B: At. Mol. Opt. Phys. Vol 35, No 22 (28 November 2002) L489-L494 Imaging the electron transfer reaction of Ne2+ with Ar using position-sensitive coincidence spectroscopy Sarah M Harper, Wan-Ping Hu and Stephen D Price J. Phys. B: At. Mol. Opt. Phys. Vol 35, No 21 (14 November 2002) 4409-4423 Ultraviolet-infrared wavelength scalings for strong field induced L-shell emissions from Kr and Xe clusters Alex B Borisov, Xiangyang Song, Fabrizio Frigeni, Yang Dai, Yevgeniya Koshman, W Andreas Schroeder, Jack Davis, Keith Boyer and Charles K Rhodes J. Phys. B: At. Mol. Opt. Phys. Vol 35, No 21 (14 November 2002) L461-L467 A Bose-Einstein condensate in an optical lattice J Hecker Denschlag, J E Simsarian, H Häffner, C McKenzie, A Browaeys, D Cho, K Helmerson, S L Rolston and W D Phillips J. Phys. B: At. Mol. Opt. Phys. Vol 35, No 14 (28 July 2002) 3095-3110 Locality of a class of entangled states I R Senitzky J. Phys. B: At. Mol. Opt. Phys. Vol 35, No 14 (28 July 2002) 3029-3039 Solitons and vortices in ultracold fermionic gases Tomasz Karpiuk, Miroslaw Brewczyk and Kazimierz Rzazewski J. Phys. B: At. Mol. Opt. Phys. Vol 35, No 14 (28 July 2002) L315-L321 Stable islands in chaotic atom-optics billiards, caused by curved trajectories M F Andersen, A Kaplan, N Friedman and N Davidson J. Phys. B: At. Mol. Opt. Phys. Vol 35, No 9 (14 May 2002) 2183-2190 Emission probability and photon statistics of a coherently driven mazer Jin Xiong and Zhi-Ming Zhang J. Phys. B: At. Mol. Opt. Phys. Vol 35, No 9 (14 May 2002) 2159-2172 The Li+-H2 system in a rigid-rotor approximation: potential energy surface and transport coefficients I Røeggen, H R Skullerud, T H Løvaas and D K Dysthe J. Phys. B: At. Mol. Opt. Phys. Vol 35, No 7 (14 April 2002) 1707-1725 The stochastic Gross-Pitaevskii equation C W Gardiner, J R Anglin and T I A Fudge J. Phys. B: At. Mol. Opt. Phys. Vol 35, No 6 (28 March 2002) 1555-1582 Oxygen ion impurity in the TEXTOR tokamak boundary plasma observed and analysed by Zeeman spectroscopy J D Hey, C C Chu, S Brezinsek, Ph Mertens and B Unterberg J. Phys. B: At. Mol. Opt. Phys. Vol 35, No 6 (28 March 2002) 1525-1553 Electron-hexafluoropropene (C3F6) scattering at intermediate energies Czeslaw Szmytkowski, Pawel Mozejko and Stanislaw Kwitnewski J. Phys. B: At. Mol. Opt. Phys. Vol 35, No 5 (14 March 2002) 1267-1274 High-resolution investigations of C2 and CN optical emissions in laser-induced plasmas during graphite ablation S Acquaviva and M L De Giorgi J. Phys. B: At. Mol. Opt. Phys. Vol 35, No 4 (28 February 2002) 795-806 New definition of a Letter to the Editor A Letter to the Editor should present new results, likely to stimulate further research and be of interest to the wider atomic, molecular and optical physics community. Above all the results should be sufficiently new and important to merit rapid publication as a Letter, which implies accelerated refereeing procedures. This should be made clear either in the body of the Letter, if appropriate, or with a supporting cover letter from the author on submission to the journal. Letters will have an upper limit of eight journal pages and, as an additional quality check, two referees instead of one will be used to review them. The Board will be asked to make a final publication decision in the event of two conflicting reports. With these measures in place it is hoped that the important new results will receive the exposure they deserve as a Letter. If you have any questions or comments on this or anything relating to J. Phys. B please contact Nicola Gulley, Publisher, J. Phys. B (E-mail: jphysb@iop.org).

Shortest multiple disconnected path for the analysis of entanglements in two- and three-dimensional polymeric systems

NASA Astrophysics Data System (ADS)

Kröger, Martin

2005-06-01

We present an algorithm which returns a shortest path and related number of entanglements for a given configuration of a polymeric system in 2 or 3 dimensions. Rubinstein and Helfand, and later Everaers et al. introduced a concept to extract primitive paths for dense polymeric melts made of linear chains (a multiple disconnected multibead 'path'), where each primitive path is defined as a path connecting the (space-fixed) ends of a polymer under the constraint of non-interpenetration (excluded volume) between primitive paths of different chains, such that the multiple disconnected path fulfills a minimization criterion. The present algorithm uses geometrical operations and provides a—model independent—efficient approximate solution to this challenging problem. Primitive paths are treated as 'infinitely' thin (we further allow for finite thickness to model excluded volume), and tensionless lines rather than multibead chains, excluded volume is taken into account without a force law. The present implementation allows to construct a shortest multiple disconnected path (SP) for 2D systems (polymeric chain within spherical obstacles) and an optimal SP for 3D systems (collection of polymeric chains). The number of entanglements is then simply obtained from the SP as either the number of interior kinks, or from the average length of a line segment. Further, information about structure and potentially also the dynamics of entanglements is immediately available from the SP. We apply the method to study the 'concentration' dependence of the degree of entanglement in phantom chain systems. Program summaryTitle of program:Z Catalogue number:ADVG Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADVG Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Computer for which the program is designed and others on which it has been tested: Silicon Graphics (Irix), Sun (Solaris), PC (Linux) Operating systems or monitors under which the program has been tested: UNIX, Linux Program language used: USANSI Fortran 77 and Fortran 90 Memory required to execute with typical data: 1 MByte No. of lines in distributed program, including test data, etc.: 10 660 No. of bytes in distributed program, including test data, etc.: 119 551 Distribution formet:tar.gz Nature of physical problem: The problem is to obtain primitive paths substantiating a shortest multiple disconnected path (SP) for a given polymer configuration (chains of particles, with or without additional single particles as obstacles for the 2D case). Primitive paths are here defined as in [M. Rubinstein, E. Helfand, J. Chem. Phys. 82 (1985) 2477; R. Everaers, S.K. Sukumaran, G.S. Grest, C. Svaneborg, A. Sivasubramanian, K. Kremer, Science 303 (2004) 823] as the shortest line (path) respecting 'topological' constraints (from neighboring polymers or point obstacles) between ends of polymers. There is a unique solution for the 2D case. For the 3D case it is unique if we construct a primitive path of a single chain embedded within fixed line obstacles [J.S.B. Mitchell, Geometric shortest paths and network optimization, in: J.-R. Sack, J. Urrutia (Eds.), Handbook of Computational Geometry, Elsevier, Amsterdam, 2000, pp. 633-701]. For a large 3D configuration made of several chains, short is meant to be the Euclidean shortest multiple disconnected path (SP) where primitive paths are constructed for all chains simultaneously. While the latter problem, in general, does not possess a unique solution, the algorithm must return a locally optimal solution, robust against minor displacements of the disconnected path and chain re-labeling. The problem is solved if the number of kinks (or entanglements Z), explicitly deduced from the SP, is quite insensitive to the exact conformation of the SP which allows to estimate Z with a small error. Efficient method of solution: Primitive paths are constructed from the given polymer configuration (a non-shortest multiple disconnected path, including obstacles, if present) by first replacing each polymer contour by a line with a number of 'kinks' (beads, nodes) and 'segments' (edges). To obtain primitive paths, defined to be uncrossable by any other objects (neighboring primitive paths, line or point obstacles), the algorithm minimizes the length of all primitive paths consecutively, until a final minimum Euclidean length of the SP is reached. Fast geometric operations rather than dynamical methods are used to minimize the contour lengths of the primitive paths. Neighbor lists are used to keep track of potentially intersecting segments of other chains. Periodic boundary conditions are employed. A finite small line thickness is used in order to make sure that entanglements are not 'lost' due to finite precision of representation of numbers. Restrictions on the complexity of the problem: For a single chain embedded within fixed line or point obstacles, the algorithm returns the exact SP. For more complex problems, the algorithm returns a locally optimal SP. Except for exotic, probably rare, configurations it turns out that different locally optimal SPs possess quite an identical number of nodes. In general, the problem constructing the SP is known to be NP-hard [J.S.B. Mitchell, Geometric shortest paths and network optimization, in: J.-R. Sack, J. Urrutia (Eds.), Handbook of Computational Geometry, Elsevier, Amsterdam, 2000, pp. 633-701], and we offer a solution which should suffice to analyze physical problems, and gives an estimate about the precision and uniqueness of the result (from a standard deviation by varying the parameter: cyclicswitch). The program is NOT restricted to handle systems for which segment lengths of the SP exceed half the box size. Typical running time: Typical running times are approximately two orders of magnitude shorter compared with the ones needed for a corresponding molecular dynamics approach, and scale mostly linearly with system size. We provide a benchmark table.

Water absorption characteristics of novel Cu/LDPE nanocomposite for use in intrauterine devices.

PubMed

Xia, Xianping; Cai, Shuizhou; Hu, Junhui; Xie, Changsheng

2006-11-01

Intrauterine devices (IUDs), especially the copper-containing IUDs (Cu-IUDs), are one of the worldwide used forms for birth control, owing to their advantages of long-lasting and high efficacy, economy, safety, and reversibility. However, it is not perfect for the existing Cu-IUDs; some shortcomings related to its side effects have not been overcome yet. For this reason, a new Cu-IUDs material, the copper/low-density polyethylene (Cu/LDPE) nanocomposite, has been developed in our research team. The structure and water uptake characteristics of this new Cu-IUDs material have been investigated by using X-ray diffraction (XRD), Scanning electron microscopy (SEM), X-ray energy dispersive spectroscopy (EDS), Fourier transform infrared spectroscopy (FT-IR), and gravimetric analysis in this paper. The results of XRD, SEM, EDS, and FT-IR show three important outcomes associated with the structure of the nanocomposite. First, the nanocomposite is hybrid of the polymer and the copper nanoparticles (nano-Cu). Second, porosities, nano-Cu aggregates, and primary alcohol (R--CH(2)--OH) are existed in the nanocomposite. Third, the nano-Cu aggregates are distributed uniformly in the polymer matrix in general. The results of Gravimetric analysis, which associated with the water uptake characteristics of the nanocomposite, exhibit that the water absorption behavior of the nanocomposite obeys the classical diffusion theory very well, the water uptake of the nanocomposite increases with the increasing of the nano-Cu loading, and that the water uptake ability of the nanocomposite with 15.0 wt % nano-Cu (50 nm in diameter) is about 150 times larger than that of the base resin and about 45 times higher than that of the Cu/LDPE microcomposite with 15.0 wt % copper microparticles (5 microm in diameter). These water uptake characteristics are mainly attributed to the structure of the Cu/LDPE composites and the size effect of the nano-Cu. (c) 2006 Wiley Periodicals, Inc.

Thermodynamics of quantum spacetime histories

NASA Astrophysics Data System (ADS)

Smolin, Lee

2017-11-01

We show that the simplicity constraints, which define the dynamics of spin foam models, imply, and are implied by, the first law of thermodynamics, when the latter is applied to causal diamonds in the quantum spacetime. This result reveals an intimate connection between the holographic nature of gravity, as reflected by the Bekenstein entropy, and the fact that general relativity and other gravitational theories can be understood as constrained topological field theories. To state and derive this correspondence we describe causal diamonds in the causal structure of spin foam histories and generalize arguments given for the near horizon region of black holes by Frodden, Gosh and Perez [Phys. Rev. D 87, 121503 (2013); , 10.1103/PhysRevD.87.121503Phys. Rev. D 89, 084069 (2014); , 10.1103/PhysRevD.89.084069Phys. Rev. Lett. 107, 241301 (2011); , 10.1103/PhysRevLett.107.241301Phys. Rev. Lett.108, 169901(E) (2012)., 10.1103/PhysRevLett.108.169901] and Bianchi [arXiv:1204.5122.]. This allows us to apply a recent argument of Jacobson [Phys. Rev. Lett. 116, 201101 (2016).10.1103/PhysRevLett.116.201101] to show that if a spin foam history has a semiclassical limit described in terms of a smooth metric geometry, that geometry satisfies the Einstein equations. These results suggest also a proposal for a quantum equivalence principle.

O'Connell's process as a vicious Brownian motion.

PubMed

Katori, Makoto

2011-12-01

Vicious Brownian motion is a diffusion scaling limit of Fisher's vicious walk model, which is a system of Brownian particles in one dimension such that if two motions meet they kill each other. We consider the vicious Brownian motions conditioned never to collide with each other and call it noncolliding Brownian motion. This conditional diffusion process is equivalent to the eigenvalue process of the Hermitian-matrix-valued Brownian motion studied by Dyson [J. Math. Phys. 3, 1191 (1962)]. Recently, O'Connell [Ann. Probab. (to be published)] introduced a generalization of the noncolliding Brownian motion by using the eigenfunctions (the Whittaker functions) of the quantum Toda lattice in order to analyze a directed polymer model in 1 + 1 dimensions. We consider a system of one-dimensional Brownian motions with a long-ranged killing term as a generalization of the vicious Brownian motion and construct the O'Connell process as a conditional process of the killing Brownian motions to survive forever.

Wave propagation in viscoelastic horns using a fractional calculus rheology model

NASA Astrophysics Data System (ADS)

Margulies, Timothy

2003-10-01

The complex mechanical behavior of materials are characterized by fluid and solid models with fractional calculus differentials to relate stress and strain fields. Fractional derivatives have been shown to describe the viscoelastic stress from polymer chain theory for molecular solutions [Rouse and Sittel, J. Appl. Phys. 24, 690 (1953)]. Here the propagation of infinitesimal waves in one dimensional horns with a small cross-sectional area change along the longitudinal axis are examined. In particular, the linear, conical, exponential, and catenoidal shapes are studied. The wave amplitudes versus frequency are solved analytically and predicted with mathematical computation. Fractional rheology data from Bagley [J. Rheol. 27, 201 (1983); Bagley and Torvik, J. Rheol. 30, 133 (1986)] are incorporated in the simulations. Classical elastic and fluid ``Webster equations'' are recovered in the appropriate limits. Horns with real materials that employ fractional calculus representations can be modeled to examine design trade-offs for engineering or for scientific application.

Low thermal diffusivity measurements of thin films using mirage technique

NASA Astrophysics Data System (ADS)

Wong, P. K.; Fung, P. C. W.; Tam, H. L.

1998-12-01

Mirage technique is proved to be powerful in measurements of thermal diffusivity. Its contactless nature makes it suitable for delicate samples such as thin films and single crystals. However, as the damping of the thermal wave profile increases progressively upon the decrease in thermal diffusivity of the medium, mirage technique becomes more difficult to be applied to low thermal diffusivity measurements. Moreover influences from substrate signals make analysis difficult when the samples are thermally thin. Recently a thermal-wave-coupling method for mirage signal analysis [P. K. Wong, P. C. W. Fung, H. L. Tam, and J. Gao, Phys. Rev. B 51, 523 (1995)] was reported for thermal diffusivity measurements of thin film down to 60 nm thick. In this article we apply the thermal-wave-coupling method to thin films of low thermal diffusivity, especially polymer films. A new lower limit of thermal diffusivity measurable by mirage technique has been reached.

Optical properties of thin fibrous PVP/SiO2 composite mats prepared via the sol-gel and electrospinning methods

NASA Astrophysics Data System (ADS)

Tański, Tomasz; Matysiak, Wiktor; Krzemiński, Łukasz; Jarka, Paweł; Gołombek, Klaudiusz

2017-12-01

The aim of the research was to create thin, nanofibrous composite mats with a polyvinylpyrrolidone (PVP) matrix, with the reinforcing phase in the form of silicon oxide (SiO2) nanoparticles. SiO2 nanopowder was obtained using the zol-gel method with a mixture of tetraethyl orthosilicate (TEOS, Si (OC2H5)), hydrochloric acid (HCl), ethanol (C3H5OH) and distilled water. The produced colloidal suspension was subjected to a drying process and a calcination process at 550 °C, resulting in an amorphous silica nanopowder with an average particle diameter of 20 nm. The morphology and structure of the manufactured SiO2 nanoparticles was tested using transmission electron microscopy (TEM) and X-ray diffraction analysis (XRD). Then, using the electrospinning method with a 15% (weight) solution of PVP in ethanol and a 15% solution of PVP/EtOH containing the produced nanoparticles equivalent to 5% of the mass concentration relative to the polymer matrix, polymer PVP nanofibres and PVP/SiO2 composite nanofibres/SiO2 nanoparticles were produced. The morphology and chemical composition of the produced polymer and composite nanofibres were tested using a scanning electron microscope (SEM) with an energy dispersive spectrometer (EDS). The analysis of the impact of the reinforcing phase on the absorption of electromagnetic radiation was conducted on the basis of UV-vis spectra, based on which the rated values of band gaps of the produced thin fibrous mats were assessed.

Study on the effect of Cd-diffusion annealing on the electrical properties of CdZnTe

NASA Astrophysics Data System (ADS)

Wanwan, Li; Zechun, Cao; Bin, Zhang; Feng, Zhan; Hongtao, Liu; Wenbin, Sang; Jiahua, Min; Kang, Sun

2006-06-01

In order to meet the requirements for the device design of radiation detectors, CdZnTe (or Cd 1-xZn xTe) crystals grown by Vertical Bridgman Method often need subsequent annealing to increase their resistivity. The nature of this treatment is a diffusion process. Thus, it is meaningful to relate the change of resistivity to the diffusion parameters. A model correlating resistivity and conduction type of CdZnTe with the main diffusion parameter—diffusion coefficient—is put forward in this paper. Combining the model with the analysis of our experimental data, DCd=1.464×10 -10, 1.085×10 -11 and 4.167×10 -13 cm 2/s are the values of Cd self-diffusion coefficient in Cd 0.9Zn 0.1Te at 1073, 973 and 873 K, respectively. The data coincide closely with the Cd self-diffusion coefficient in CdTe provided by different authors [E.D. Jones, N.M. Stewart, Self-diffusion of cadmium in cadmium telluride, J. Crystal Growth 84 (1987) 289-294; P.M. Borsenberger, D.A. Stevenson, J. Phys. Chem. Solids 29 (1968) 1277; R.C. Whelan, D. Shaw, in: D.G. Thomas (Ed.), II -VI Semiconductor Compounds, Benjamin, New York, 1967, p. 451]. With the data, the effects of annealing time on the change of resistivity and conduction type for Cd 0.9Zn 0.1Te wafers, which are annealed in saturated Cd vapor at 1073, 973 and 873 K, were simulated, and good consistency was found. This work suggests an alternative way to obtain the diffusion coefficient in semiconductor materials and also enables ones to analyze the diffusion process quantitatively and predict the annealing results.

Contrasting two different interpretations of the dynamics in binary glass forming mixtures

NASA Astrophysics Data System (ADS)

Valenti, S.; Capaccioli, S.; Ngai, K. L.

2018-02-01

In a series of papers on binary glass-forming mixtures of tripropyl phosphate (TPP) with polystyrene (PS), Kahlau et al. [J. Chem. Phys. 140, 044509 (2014)] and Bock et al. [J. Chem. Phys. 139, 064508 (2013); J. Chem. Phys. 140, 094505 (2014); and J. Non-Cryst. Solids 407, 88-97 (2015)] presented the data on the dynamics of the two components studied over the entire composition range by several experimental methods. From these sets of data, obtained by multiple experimental techniques on mixtures with a large difference ΔTg ≈ 200 K between the glass transition temperatures of two starting glass formers, they obtained two α-relaxations, α1 and α2. The temperature dependence of the slower α1 is Vogel-Fulcher like, but the faster α2 is Arrhenius. We have re-examined their data and show that their α2-relaxation is the Johari-Goldstein (JG) β-relaxation with Arrhenius T-dependence admixed with a true α2-relaxation having a stronger temperature dependence. In support of our interpretation of their data, we made dielectric measurements at elevated pressures P to show that the ratio of the α1 and α2 relaxation times, τα1(T,P)/τα2(T,P), is invariant to variations of T and P, while τα1(T,P) is kept constant. This property proves unequivocally that the α2-relaxation is the JG β-relaxation, the precursor of the α1-relaxation. Subsequently, the true but unresolved α2-relaxation is recovered, and its relaxation times with much stronger temperature dependence are deduced, as expected for the α-relaxation of the TPP component. The results are fully compatible with those found in another binary mixture of methyltetrahydrofuran with tristyrene and PS with ΔTg ≈ 283 K, even larger than ΔTg ≈ 200 K of the mixture of TPP with PS, and in several polymer blends. The contrast between the two very different interpretations brought out in this paper is deemed beneficial for further progress in this research area.

Defects, Tunneling, and EPR Spectra of Single-Molecule Magnets

DTIC Science & Technology

2003-01-01

Caranin, Phys. Rev. Lett. 87, 187203 (2001); Phys. Rev. B 65, 094423 (2002). 19. A. Cornia, R. Sessoli, L. Sorace, D. Gatteschi , A. L. Barra, and C...Phys. Rev. B 64, 184426 (2001). 25. A. Mukhin, B. Gorshunov, M. Dressel, C. Sangregorio. and D. Gatteschi , Phys. Rev. B 63, 214411 (2001). 26. W

Monte Carlo Studies of Phase Separation in Compressible 2-dim Ising Models

NASA Astrophysics Data System (ADS)

Mitchell, S. J.; Landau, D. P.

2006-03-01

Using high resolution Monte Carlo simulations, we study time-dependent domain growth in compressible 2-dim ferromagnetic (s=1/2) Ising models with continuous spin positions and spin-exchange moves [1]. Spins interact with slightly modified Lennard-Jones potentials, and we consider a model with no lattice mismatch and one with 4% mismatch. For comparison, we repeat calculations for the rigid Ising model [2]. For all models, large systems (512^2) and long times (10^ 6 MCS) are examined over multiple runs, and the growth exponent is measured in the asymptotic scaling regime. For the rigid model and the compressible model with no lattice mismatch, the growth exponent is consistent with the theoretically expected value of 1/3 [1] for Model B type growth. However, we find that non-zero lattice mismatch has a significant and unexpected effect on the growth behavior.Supported by the NSF.[1] D.P. Landau and K. Binder, A Guide to Monte Carlo Simulations in Statistical Physics, second ed. (Cambridge University Press, New York, 2005).[2] J. Amar, F. Sullivan, and R.D. Mountain, Phys. Rev. B 37, 196 (1988).

Entanglement properties of the antiferromagnetic-singlet transition in the Hubbard model on bilayer square lattices

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chang, Chia-Chen; Singh, Rajiv R. P.; Scalettar, Richard T.

Here, we calculate the bipartite R enyi entanglement entropy of an L x L x 2 bilayer Hubbard model using a determinantal quantum Monte Carlo method recently proposed by Grover [Phys. Rev. Lett. 111, 130402 (2013)]. Two types of bipartition are studied: (i) One that divides the lattice into two L x L planes, and (ii) One that divides the lattice into two equal-size (L x L=2 x 2) bilayers. Furthermore, we compare our calculations with those for the tight-binding model studied by the correlation matrix method. As expected, the entropy for bipartition (i) scales as L 2, while themore » latter scales with L with possible logarithmic corrections. The onset of the antiferromagnet to singlet transition shows up by a saturation of the former to a maximal value and the latter to a small value in the singlet phase. We also comment on the large uncertainties in the numerical results with increasing U, which would have to be overcome before the critical behavior and logarithmic corrections can be quanti ed.« less

Entanglement properties of the antiferromagnetic-singlet transition in the Hubbard model on bilayer square lattices

DOE PAGES

Chang, Chia-Chen; Singh, Rajiv R. P.; Scalettar, Richard T.

2014-10-10

Here, we calculate the bipartite R enyi entanglement entropy of an L x L x 2 bilayer Hubbard model using a determinantal quantum Monte Carlo method recently proposed by Grover [Phys. Rev. Lett. 111, 130402 (2013)]. Two types of bipartition are studied: (i) One that divides the lattice into two L x L planes, and (ii) One that divides the lattice into two equal-size (L x L=2 x 2) bilayers. Furthermore, we compare our calculations with those for the tight-binding model studied by the correlation matrix method. As expected, the entropy for bipartition (i) scales as L 2, while themore » latter scales with L with possible logarithmic corrections. The onset of the antiferromagnet to singlet transition shows up by a saturation of the former to a maximal value and the latter to a small value in the singlet phase. We also comment on the large uncertainties in the numerical results with increasing U, which would have to be overcome before the critical behavior and logarithmic corrections can be quanti ed.« less

Phonon Effects on Charge Transport Through a Two State Molecule

NASA Astrophysics Data System (ADS)

Ulloa, Sergio E.; Yudiarsah, Efta

2008-03-01

We study the effect of local and non-local phonon on the transport properties of a molecule model described by two- electronic states. The local phonon interaction is tackled by means of a Lang Firsov transformation [1,2]. The interaction with non-local phonons (phonon-assisted hopping) is considered perturbatively up to the first nonzero order in the self energy. The presence of different kinds of electron-phonon interaction open new transmission channels. In addition to the polaron shift and replicas due to local phonons, non-local phonons cause the appearance of new satellite states around the initial states. In the weak coupling regime of non-local phonon and electrons, states are shifted an amount proportional to square of the interaction. However, in the strong coupling regime, the non-linear effects emerge and display more interesting features on transport properties. Additional features on transport properties due to new transmission channel are shown to appear at finite temperatures. [1] G. D. Mahan, Many-particle physics, 3rd ed. (Plenum Publishers, New York, 2000). [2] R. Gutierrez et al., Phys. Rev. B. 74, 235105 (2006).

The photon-plasmon transitions and diagnostics of the space plasma turbulence

NASA Astrophysics Data System (ADS)

Glushkov, Alexander; Glushkov, Alexander; Khetselius, Olga

We present a new approach to treating the space plasma turbulence, based on using to make diagnostic data regarding the photon-plasmon transitions. The theoretical definition of characteristics for these transitions is caried out within consistent theoretical approach, based on the Gell-Mann and Low formalism (energy approach in QED theory).We apply it to calculation of such transitions (Ps) with emission of photon and Langmuir quanta. It is well known that the hfs states of positronium Ps Ps differ in spin S, life time t and mode of annihilation. As a rule, probabilities of the cascade radiation transitions are more than the annihilation probability. The ortho-Ps atom has a metastable state 23s1 and probability of two-photon radiation transition from this state into 13s1 state (1.8•10(-3) 1/s) is significantly less than probability of the three-photon annihilation directly from 23s1level 8.9•10(5) s(-1), i.e. it is usually supposed that the ortho-Ps annihilates from 23s1state. Another situation may take place in plasma, where it is arisen the competition process of destruction of the metastable level - the photonplasmon transition 23s1-13s1with emission of photon and Langmuir quanta. In this paper we carried out the calculation of the probability of the Ps photon-plasmon transition and propose tu use it for diagnostics of the space plasma (dusty one etc.).Standard S-matrix calculation with using an expression for tensor of dielectric permeability of the isotropic space plasma and dispersion relationships for transverse and Langmuir waves [3] allows getting the corresponding probability P(ph-pl). Numerical value of P(ph-pl) is 5.2•10(6)•UL(s-1), where UL is density of the Langmuir waves energy. Our value is correlated with estimate, available in literature [3]: P(phpl)= 6•10(6)•UL (s-1). Comparison of the obtained probability with the life time t(3) allows getting the condition of predominance of the photon-plasmon transition over three-photon annihilation. It is demonstrated how the considered transition may control the population of 23s1 level and search of the long-lived Ps state that is further used for diagnostics of the space plasma turbulence. At last the experimental realization of the indicated methodics is discussed. References: 1. L.N.Ivanov, V.S.Letokhov, Com.Mod.Phys.D: At.Mol.Phys. 4,169 (1985); A.V.Glushkov, L.N.Ivanov, Phys.Lett.A,170, 36 (1992); Preprint of Institute for Specteroscopy of RAS, N AS-2, Troitsk (1992); L.N.Ivanov,E.P.Ivanova, L.V.Knight, Phys.Rev.A 48 4365 (1993); A.V.Glushkov,E.P.Ivanova, J.Quant.Spectr.Rad.Tr.(US) 36,127 (1986); 2. A.V.Glushkov,S.V.Malin etal, Bound Vol. Paris-Meudon Observ.,1995; J.Techn.Phys. 38 211, 219 (1997); In: New projects and new lines of research in nuclear physics. Eds. G.Fazio and F.Hanappe, Singapore : World Scientific.-2003.- P.242-250 ; Int.J.Quant.Chem. 99, 889 (2004); 104, 512 (2005). 3. V.I.Gol'dansky, Physical Chemistry of Positron and Positronium.-N.-Y., 1976;S.A.Kaplan, V.N.Tsytoivich, Plasma astrophysics.-Moscow, 1987; V.I.Gol'dansky, V.S.Letokhov, JETP 67, 533 (1974).

Stabilization of hydrodynamic flows by small viscosity variations.

PubMed

Govindarajan, Rama; L'vov, Victor S; Procaccia, Itamar; Sameen, A

2003-02-01

Motivated by the large effect of turbulent drag reduction by minute concentrations of polymers, we study the effects of a weakly space-dependent viscosity on the stability of hydrodynamic flows. In a recent paper [Phys. Rev. Lett. 87, 174501, (2001)], we exposed the crucial role played by a localized region where the energy of fluctuations is produced by interactions with the mean flow (the "critical layer"). We showed that a layer of a weakly space-dependent viscosity placed near the critical layer can have a very large stabilizing effect on hydrodynamic fluctuations, retarding significantly the onset of turbulence. In this paper we extend these observations in two directions: first we show that the strong stabilization of the primary instability is also obtained when the viscosity profile is realistic (inferred from simulations of turbulent flows with a small concentration of polymers). Second, we analyze the secondary instability (around the time-dependent primary instability) and find similar strong stabilization. Since the secondary instability develops around a time-dependent solution and is three dimensional, this brings us closer to the turbulent case. We reiterate that the large effect is not due to a modified dissipation (as is assumed in some theories of drag reduction), but due to reduced energy intake from the mean flow to the fluctuations. We propose that similar physics act in turbulent drag reduction.

Electrodeless electrohydrodynamic drop-on-demand encapsulation of drugs into porous polymer films for fabrication of personalized dosage units.

PubMed

Elele, Ezinwa; Shen, Yueyang; Susarla, Ramana; Khusid, Boris; Keyvan, Golshid; Michniak-Kohn, Bozena

2012-07-01

Noncontact drop-on-demand (DOD) dosing is a promising strategy for manufacturing of personalized dosage units. However, current DOD methods developed for printing chemically and thermally stable, low-viscosity inks are of limited use for pharmaceuticals due to fundamentally different functional requirements. To overcome their deficiency, we developed a novel electrohydrodynamic (EHD) DOD (Appl, Phys, Lett. 97, 233501, 2010) that operates on fluids of up to 30 Pa·s in viscosity over a wide range of droplet sizes and provides a precise control over the droplet volume. We now evaluate the EHD DOD as a method for fabrication of dosage units by printing drug solutions on porous polymer films prepared by freeze-drying. Experiments were carried out on ibuprofen and griseofulvin, as model poorly water-soluble drugs, polyethylene glycol 400, as a drug carrier, and hydroxypropyl methylcellulose films. The similarities between drug release profiles from different dosage units were assessed by model-independent difference, f(1) , and similarity, f(2) , factors. The results presented show that EHD DOD offers a powerful tool for the evolving field of small-scale pharmaceutical technologies for tailoring medicines to individual patient's needs by printing a vast array of predefined amounts of therapeutics arranged in a specific pattern on a porous film. Copyright © 2012 Wiley Periodicals, Inc.

A Three Dimensional Finite Element Analysis of Delamination Growth in Composite Laminates. I. The Energy Methods and Case-Study Problems.

DTIC Science & Technology

1983-09-01

34 2nd. Ed. McGraw Hill , New York, 1976, p. 419. [32] Odom, E. M. and Adams, D. E.,"A Study of Polymer Matrix Fatigue Proper- ties," NADC-TR-83053-60...Compression," Ph.D. Thesis, Drexel University, Phila- delphia, PA. 1984 . [34] Crossman, F. W., Warren, W. J . and Wang, A. S. D.,"Influence of Ply...II :2 3____ 4’ F-i7-E-i- 4S-57F* II 0. 1____ 10 ’ G , - I I ’ ’ " 2!___ I ! I I I I 1tILL II I hILL J l 0. 1 1 10 G, (in-lb/in ) Figure 18. Mixed

Ultrastructure of hybrid chitosan-glycerol phosphate blood clots by environmental scanning electron microscopy.

PubMed

Iliescu, M; Hoemann, C D; Shive, M S; Chenite, A; Buschmann, M D

2008-03-01

Chitosan-based polymers have been extensively studied for biomedical applications. Recently, liquid solutions of chitosan in a glycerol phosphate buffer (chitosan-GP) with physiological pH and osmolality were mixed with autologous blood to form hybrid chitosan-GP/blood implants that improved the repair of articular cartilage lesions in a large animal model. The mixture of chitosan-GP and blood forms a viscous liquid, which solidifies in minutes via normal blood coagulation as well as chitosan-mediated mechanisms. Here we have examined the ultrastructure of these chitosan-GP/blood clots as well as regular blood clots and chitosan-GP gels, the latter produced by heating. Both unfixed and fixed samples of chitosan-GP/blood clots, regular blood clots, and chitosan-GP gels were investigated by environmental scanning electron microscopy (ESEM) in conjunction with energy dispersive X-ray spectrometry (EDS), the former permitting direct observation of the ultrastructure in hydrated conditions simulating the natural state. By examination of unfixed specimens using ESEM we found that chitosan formed a network structure in both chitosan-GP gels and chitosan-GP/blood clots; however this structure was altered by aldehyde fixation to produce artifactual aggregates of chitosan microparticles. We were also able to identify chitosan in chitosan-GP/blood clots by washing samples in low concentration NaCl solutions followed by local EDS analyses to identify excess chloride versus sodium, and thus presence of cationic chitosan in analyzed features. Additional results indicated that the majority of glycerol phosphate diffuses freely from chitosan-GP gels (by EDS of phosphorus) and that hyperosmotic paraformaldehyde-based fixatives (i.e. 4% w/v) significantly disturb erythrocyte morphology in fixed whole blood clots. (c) 2007 Wiley-Liss, Inc.

Degradation Behaviour of Gamma Irradiated Poly(Acrylic Acid)-graft-Chitosan Superabsorbent Hydrogel

NASA Astrophysics Data System (ADS)

Ria Barleany, Dhena; Ilhami, Alpin; Yusuf Yudanto, Dea; Erizal

2018-03-01

A series of superabsorbent hydrogels were prepared from chitosan and partially neutralized acrylic acid at room temperature by gamma irradiation technique. The effect of irradiation and chitosan addition to the degradation behaviour of polymer were investigated. The gel content, swelling capacity, Equillibrium Degree of Swelling (EDS), Fourier Transform Infra Red (FTIR), and Scanning Electron Microscopy (SEM) study were also performed. Natural degradation in soil and thermal degradation by using of TGA analysis were observed. The variation of chitosan compositions were 0.5, 1, 1.5, and 2 g and the total irradiation doses were 5, 10, 15, and 20 kGy. The highest water capacity of 583.3 g water/g dry hydrogel was resulted from 5 kGy total irradiation dose and 0,5 g addition of chitosan. From the thermal degradation evaluation by using of TGA analysis showed that irradiation dose did not give a significant influence to the degradation rate. The rate of thermal degradation was ranged between 2.42 to 2.55 mg/min. In the natural test of degradation behaviour by using of soil medium, the hydrogel product with chitosan addition was found to have better degradability compared with the poly(acrylic acid) polymer without chitosan.

Chiral monolithic absorbent constructed by optically active helical-substituted polyacetylene and graphene oxide: preparation and chiral absorption capacity.

PubMed

Li, Weifei; Wang, Bo; Yang, Wantai; Deng, Jianping

2015-02-01

Chiral monolithic absorbent is successfully constructed for the first time by using optically active helical-substituted polyacetylene and graphene oxide (GO). The preparative strategy is facile and straightforward, in which chiral-substituted acetylene monomer (Ma), cross-linker (Mb), and alkynylated GO (Mc) undergo copolymerization to form the desired monolithic absorbent in quantitative yield. The resulting monoliths are characterized by circular dichroism, UV-vis absorption, scanning electron microscopy (SEM), FT-IR, Raman, energy-dispersive spectrometer (EDS), X-ray diffraction (XRD), Brunauer-Emmett-Teller (BET), XPS, and thermogravimetric analysis (TGA) techniques. The polymer chains derived from Ma form chiral helical structures and thus provide optical activity to the monoliths, while GO sheets contribute to the formation of porous structures. The porous structure enables the monolithic absorbents to demonstrate a large swelling ratio in organic solvents, and more remarkably, the helical polymer chains provide optical activity and further enantio-differentiating absorption ability. The present study establishes an efficient and versatile methodology for preparing novel functional materials, in particular monolithic chiral materials based on substituted polyacetylene and GO. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Synthesis of SiCN@TiO2 core-shell ceramic microspheres via PDCs method

NASA Astrophysics Data System (ADS)

Liu, Hongli; Wei, Ning; Li, Jing; Zhang, Haiyuan; Chu, Peng

2018-02-01

A facile and effective polymer-derived ceramics (PDCs) emulsification-crosslinking-pyrolysis method was developed to fabricate SiCN@TiO2 core-shell ceramic microspheres with polyvinylsilazane (PVSZ) and tetrabutyl titanate (TBT) as precursors. The TBT: PVSZ mass ratios, emulsifier concentrations and the pyrolysis temperature were examined as control parameters to tune the size and morphology of microspheres. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) confirmed the synthesized SiCN@TiO2 microspheres to be comprised of SiCN core coated with TiO2 crystals, with an average size of 0.88 μm when pyrolyzed at 1400 °C. The analysis of Fourier transform infrared spectroscopy (FT-IR), energy dispersive spectroscopy (EDS) and X-ray diffraction (XRD) ensured that SiCN@TiO2 core-shell ceramic microspheres composed of rutile TiO2, β-SiC and Si3N4 crystalline phases, The thermal properties were characterized by thermogravimetric analysis (TGA). The obtained SiCN@TiO2 core-shell ceramic microspheres were the promising candidate of the infrared opacifier in silica aerogels and this technique can be extended to other preceramic polymers.

Photoactive glazed polymer-cement composite

NASA Astrophysics Data System (ADS)

Baltes, Liana; Patachia, Silvia; Tierean, Mircea; Ekincioglu, Ozgur; Ozkul, Hulusi M.

2018-04-01

Macro defect free cements (MDF), a kind of polymer-cement composites, are characterized by remarkably high mechanical properties. Their flexural strengths are 20-30 times higher than those of conventional cement pastes, nearly equal to that of an ordinary steel. The main drawback of MDF cements is their sensitivity to water. This paper presents a method to both diminish the negative impact of water on MDF cements mechanical properties and to enlarge their application by conferring photoactivity. These tasks were solved by glazing MDF cement with an ecological glaze containing nano-particles of TiO2. Efficiency of photocatalytic activity of this material was tested against methylene blue aqueous solution (4.4 mg/L). Influence of the photocatalyst concentration in the glaze paste and of the contact time on the photocatalysis process (efficiency and kinetic) was studied. The best obtained photocatalysis yield was of 97.35%, after 8 h of exposure to 254 nm UV radiation when used an MDF glazed with 10% TiO2 in the enamel paste. Surface of glazed material was characterized by optic microscopy, scratch test, SEM, XRD, and EDS. All these properties were correlated with the aesthetic aspect of the glazed surface aiming to propose using of this material for sustainable construction development.

Equilibrium Structure and Vibrational Spectra of Sila-Adamantane

DTIC Science & Technology

2006-10-27

42, 3276 (1990); M. R. Pederson, K. A. Jackson, Phys. Rev. B. 43, 7312 ( 1991 ); M. R. Pederson, D. V. Porezag, J. Kortus, and D. C. Patton, Phys... Pankratov , Phys. Rev. B 68, 085310 (2003); P. H. Han, W. G. Schmidt, and F. Becstedt, Phys. Rev. B 72, 245425 (2005). [13] T. Yamada, T. Inoue, K. Yamada, N

Magnetotransport in Two Dimensional Electron Systems Under Microwave Excitation and in Highly Oriented Pyrolytic Graphite

DTIC Science & Technology

2012-01-01

Phys. Rev. Lett. 82, 2147 (1999). [89] Y. Zhang, Y. Tan, H. L. Stormer and P. Kim, Nature 438, 10 (2005). [90] J. W. McClure, Phys. Rev. 108, 612 (1957...Phys. 2, 595 (2006). [97] H. L. Stormer , J. P. Eisenstein, A. C. Gossard, W. Wiegmann, and K. Baldwin, Phys. Rev. Lett. 56, 85 (1985). [98] B. A...Sadowski, J. M. Schneider, and M. Potemski, J. Phys.: Cond. Matter 20, 454223 (2008). [108] W. Pan, J. S. Xia, H. L. Stormer , D. C. Tsui, C. L

Facile synthesis of silver nanoparticles mediated by polyacrylamide-reduction approach to antibacterial application.

PubMed

Salaheldin, Hosam I; Almalki, Meshal H K; Hezma, Abd Elhameed M; Osman, Gamal E H

2017-06-01

The current time increase in the prevalence of antibiotic resistant 'super-bugs' and the risks associated with food safety have become global issues. Therefore, further research is warranted to identify new and effective antimicrobial substances. Silver nanoparticles (Ag-NPs) were synthesized by autoclaving technique using, different concentrations of Ag salt (AgNO 3 ) solution (1, 5, 10, and 25 mM). Their presence was confirmed by a surface plasmon resonance band at ∼435 nm using UV-Vis absorption spectra. The morphology of the synthesized Ag-NPs stabilized by polyacrylamide (PAM) was examined by TEM, SAED, and EDS. TEM images revealed that the synthesized Ag-NPs had an average diameter of 2.98±0.08 nm and SAED and EDS results confirmed the formation of Ag-NPs. In addition, FT-IR spectroscopy revealed that a PAM polymer matrix stabilized the Ag-NPs. The well diffusion method, was used to test, Gram positive and Gram negative bacteria were examined. Also the minimal inhibitory concentration (MIC) and minimal bactericidal concentration (MBC) were studied against Ag-NPs. The Ag-NPs exhibited strong inhibitory activity, MIC and MBC against the tested clinical bacterial isolates. These results suggest that Ag-NPs stabilized in PAM are highly effective against clinical bacterial isolates can be applied in medical fields.

Quantitative study of fluctuation effects by fast lattice Monte Carlo simulations: Compression of grafted homopolymers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Pengfei; Wang, Qiang, E-mail: q.wang@colostate.edu

2014-01-28

Using fast lattice Monte Carlo (FLMC) simulations [Q. Wang, Soft Matter 5, 4564 (2009)] and the corresponding lattice self-consistent field (LSCF) calculations, we studied a model system of grafted homopolymers, in both the brush and mushroom regimes, in an explicit solvent compressed by an impenetrable surface. Direct comparisons between FLMC and LSCF results, both of which are based on the same Hamiltonian (thus without any parameter-fitting between them), unambiguously and quantitatively reveal the fluctuations/correlations neglected by the latter. We studied both the structure (including the canonical-ensemble averages of the height and the mean-square end-to-end distances of grafted polymers) and thermodynamicsmore » (including the ensemble-averaged reduced energy density and the related internal energy per chain, the differences in the Helmholtz free energy and entropy per chain from the uncompressed state, and the pressure due to compression) of the system. In particular, we generalized the method for calculating pressure in lattice Monte Carlo simulations proposed by Dickman [J. Chem. Phys. 87, 2246 (1987)], and combined it with the Wang-Landau–Optimized Ensemble sampling [S. Trebst, D. A. Huse, and M. Troyer, Phys. Rev. E 70, 046701 (2004)] to efficiently and accurately calculate the free energy difference and the pressure due to compression. While we mainly examined the effects of the degree of compression, the distance between the nearest-neighbor grafting points, the reduced number of chains grafted at each grafting point, and the system fluctuations/correlations in an athermal solvent, the θ-solvent is also considered in some cases.« less

Optical detection of nanometric thermal fluctuations to measure the stiffness of rigid superparamagnetic microrods

PubMed Central

Wang, Yuan

2017-01-01

The rigidity of numerous biological filaments and crafted microrods has been conveniently deduced from the analysis of their thermal fluctuations. However, the difficulty of measuring nanometric displacements with an optical microscope has so far limited such studies to sufficiently flexible rods, of which the persistence length (Lp) rarely exceeds 1 m at room temperature. Here, we demonstrate the possibility to probe 10-fold stiffer rods by a combination of superresolutive optical methods and a statistical analysis of the data based on a recent theoretical model that predicts the amplitude of the fluctuations at any location of the rod [Benetatos P, Frey E (2003) Phys Rev E Stat Nonlin Soft Matter Phys 67(5):051108]. Using this approach, we report measures of Lp up to 0.5 km. We obtained these measurements on recently designed superparamagnetic ∼40-μm-long microrods containing iron-oxide nanoparticles connected by a polymer mesh. Using their magnetic properties, we provide an alternative proof of validity of these thermal measurements: For each individual studied rod, we performed a second measure of its rigidity by deflecting it with a uniform magnetic field. The agreement between the thermal and the magnetoelastic measures was realized with more than a decade of values of Lp from 5.1 m to 129 m, corresponding to a bending modulus ranging from 2.2 to 54 (×10−20 Jm). Despite the apparent homogeneity of the analyzed microrods, their Young modulus follows a broad distribution from 1.9 MPa to 59 MPa and up to 200 MPa, depending on the size of the nanoparticles. PMID:28228530

Systematic and simulation-free coarse graining of homopolymer melts: a relative-entropy-based study.

PubMed

Yang, Delian; Wang, Qiang

2015-09-28

We applied the systematic and simulation-free strategy proposed in our previous work (D. Yang and Q. Wang, J. Chem. Phys., 2015, 142, 054905) to the relative-entropy-based (RE-based) coarse graining of homopolymer melts. RE-based coarse graining provides a quantitative measure of the coarse-graining performance and can be used to select the appropriate analytic functional forms of the pair potentials between coarse-grained (CG) segments, which are more convenient to use than the tabulated (numerical) CG potentials obtained from structure-based coarse graining. In our general coarse-graining strategy for homopolymer melts using the RE framework proposed here, the bonding and non-bonded CG potentials are coupled and need to be solved simultaneously. Taking the hard-core Gaussian thread model (K. S. Schweizer and J. G. Curro, Chem. Phys., 1990, 149, 105) as the original system, we performed RE-based coarse graining using the polymer reference interaction site model theory under the assumption that the intrachain segment pair correlation functions of CG systems are the same as those in the original system, which de-couples the bonding and non-bonded CG potentials and simplifies our calculations (that is, we only calculated the latter). We compared the performance of various analytic functional forms of non-bonded CG pair potential and closures for CG systems in RE-based coarse graining, as well as the structural and thermodynamic properties of original and CG systems at various coarse-graining levels. Our results obtained from RE-based coarse graining are also compared with those from structure-based coarse graining.

Chemical Reactions at the in vacuo Au/InP Interface.

DTIC Science & Technology

1987-07-25

Phys. C: Solid State Phys. 10, 4545 (1977). 2 A. Hiraki, K. Shuto, S. Kim, W. Kanmnura, and M. Iwami, Appl.Phys. Letts. 31, 611 (1977). 3. P.W. Chye ...Pelous, and P. Henoc, J.Appl.Phys. 52, 5112 (1981). 13. 1. Camlibel, A.K. Chin , F. Ermanis, M.A. DiGiuseppe, J.A. Lourenco and W.A. Bonner

Vanishing Hall conductance in the phase-glass Bose metal at zero temperature

NASA Astrophysics Data System (ADS)

May-Mann, Julian; Phillips, Philip W.

2018-01-01

Motivated in part by numerical simulations [H. G. Katzgraber and A. P. Young, Phys. Rev. B 66, 224507 (2002), 10.1103/PhysRevB.66.224507; J. M. Kosterlitz and N. Akino, Phys. Rev. Lett. 81, 4672 (1998), 10.1103/PhysRevLett.81.4672; Phys. Rev. Lett. 81, 4672 (1998), 10.1103/PhysRevLett.81.4672] that reveal that the energy to create a defect in a gauge or phase glass scales as Lθ with θ <0 for two dimensions, thereby implying a vanishing stiffness, we reexamine the relevance of these kinds of models to the Bose metal in light of the new experiments [N. P. Breznay and Kapitulnik (unpublished); Y. Wang, I. Tamir, D. Shahar, and N. P. Armitage, arXiv:1708.01908 [cond-mat.supr-con

DPEMC: A Monte Carlo for double diffraction

NASA Astrophysics Data System (ADS)

Boonekamp, M.; Kúcs, T.

2005-05-01

We extend the POMWIG Monte Carlo generator developed by B. Cox and J. Forshaw, to include new models of central production through inclusive and exclusive double Pomeron exchange in proton-proton collisions. Double photon exchange processes are described as well, both in proton-proton and heavy-ion collisions. In all contexts, various models have been implemented, allowing for comparisons and uncertainty evaluation and enabling detailed experimental simulations. Program summaryTitle of the program:DPEMC, version 2.4 Catalogue identifier: ADVF Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADVF Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Computer: any computer with the FORTRAN 77 compiler under the UNIX or Linux operating systems Operating system: UNIX; Linux Programming language used: FORTRAN 77 High speed storage required:<25 MB No. of lines in distributed program, including test data, etc.: 71 399 No. of bytes in distributed program, including test data, etc.: 639 950 Distribution format: tar.gz Nature of the physical problem: Proton diffraction at hadron colliders can manifest itself in many forms, and a variety of models exist that attempt to describe it [A. Bialas, P.V. Landshoff, Phys. Lett. B 256 (1991) 540; A. Bialas, W. Szeremeta, Phys. Lett. B 296 (1992) 191; A. Bialas, R.A. Janik, Z. Phys. C 62 (1994) 487; M. Boonekamp, R. Peschanski, C. Royon, Phys. Rev. Lett. 87 (2001) 251806; Nucl. Phys. B 669 (2003) 277; R. Enberg, G. Ingelman, A. Kissavos, N. Timneanu, Phys. Rev. Lett. 89 (2002) 081801; R. Enberg, G. Ingelman, L. Motyka, Phys. Lett. B 524 (2002) 273; R. Enberg, G. Ingelman, N. Timneanu, Phys. Rev. D 67 (2003) 011301; B. Cox, J. Forshaw, Comput. Phys. Comm. 144 (2002) 104; B. Cox, J. Forshaw, B. Heinemann, Phys. Lett. B 540 (2002) 26; V. Khoze, A. Martin, M. Ryskin, Phys. Lett. B 401 (1997) 330; Eur. Phys. J. C 14 (2000) 525; Eur. Phys. J. C 19 (2001) 477; Erratum, Eur. Phys. J. C 20 (2001) 599; Eur. Phys. J. C 23 (2002) 311]. This program implements some of the more significant ones, enabling the simulation of central particle production through color singlet exchange between interacting protons or antiprotons. Method of solution: The Monte Carlo method is used to simulate all elementary 2→2 and 2→1 processes available in HERWIG. The color singlet exchanges implemented in DPEMC are implemented as functions reweighting the photon flux already present in HERWIG. Restriction on the complexity of the problem: The program relying extensively on HERWIG, the limitations are the same as in [G. Marchesini, B.R. Webber, G. Abbiendi, I.G. Knowles, M.H. Seymour, L. Stanco, Comput. Phys. Comm. 67 (1992) 465; G. Corcella, I.G. Knowles, G. Marchesini, S. Moretti, K. Odagiri, P. Richardson, M. Seymour, B. Webber, JHEP 0101 (2001) 010]. Typical running time: Approximate times on a 800 MHz Pentium III: 5-20 min per 10 000 unweighted events, depending on the process under consideration.

Voltage and Pressure Scaling of Streamer Dynamics in a Helium Plasma Jet With N2 CO-Flow (Postprint)

DTIC Science & Technology

2014-08-14

de Wetering, R. Blanc, E. M. van Veldhuizen , and U. Ebert, J. Phys. D: Appl. Phys. 43, 145204 (2010). 26T. M. P. Briels, J. Kos, G. J. J. Winands, E. M... van Veldhuizen , and U. Ebert, J. Phys. D: Appl. Phys. 41, 234004 (2008). 27See http://physics.nist.gov/PhysRefData/ASD for National Institute of...T. Briels, and E. van Velduizen, J. Geophys. Res. 115, A00E43, doi:10.1029/2009JA014867 (2010) and references therein. 25S. Nijdam, F. M. J. H. van

Chaotic and Bifurcating Nonlinear Systems Driven by Noise with Applications to Laser Dynamics

DTIC Science & Technology

1988-12-30

W. o. leich and M. 0. Scully, Phys. Rev. A . 37, 3010 (1988) and ibid, 1261 (1988), and references therein. 14. A . K. Dhara and S. V . G. Menon, J...Fronzoni, F. Moss, R. Mannella and P. V . E. McClintock. Phys. Rev. A 36. 834 (1987) 35. L. Fronzoni, F. Moss and P. V . E. McClintock, Phys. Rev. A . 36...1492 (1987). 36. V . Altares and G. Nicolis, Phys. Rev. A 37. 3630 (1988) 37. R. Lefever and JI Win. Turner. Phys. Rev. Lett. 56, 1631 (1986) 38. K

Observing plants dealing with soil water stress: Daily soil moisture fluctuations derived from polymer tensiometers

NASA Astrophysics Data System (ADS)

van der Ploeg, Martine; de Rooij, Gerrit

2014-05-01

Periods of soil water deficit often occur within a plant's life cycle, even in temperate deciduous and rain forests (Wilson et al. 2001, Grace 1999). Various experiments have shown that roots are able to sense the distribution of water in the soil, and produce signals that trigger changes in leaf expansion rate and stomatal conductance (Blackman and Davies 1985, Gollan et al. 1986, Gowing et al. 1990 Davies and Zhang 1991, Mansfield and De Silva 1994, Sadras and Milroy 1996). Partitioning of water and air in the soil, solute distribution in soil water, water flow through the soil, and water availability for plants can be determined according to the distribution of the soil water potential (e.g. Schröder et al. 2013, Kool et al. 2014). Understanding plant water uptake under dry conditions has been compromised by hydrological instrumentation with low accuracy in dry soils due to signal attenuation, or a compromised measurement range (Whalley et al. 2013). Development of polymer tensiometers makes it possible to study the soil water potential over a range meaningful for studying plant responses to water stress (Bakker et al. 2007, Van der Ploeg et al. 2008, 2010). Polymer tensiometer data obtained from a lysimeter experiment (Van der Ploeg et al. 2008) were used to analyse day-night fluctuations of soil moisture in the vicinity of maize roots. To do so, three polymer tensiometers placed in the middle of the lysimeter from a control, dry and very dry treatment (one lysimeter per treatment) were used to calculate water content changes over 12 hours. These 12 hours corresponded with the operation of the growing light. Soil water potential measurements in the hour before the growing light was turned on or off were averaged. The averaged value was used as input for the van Genuchten (1980) model. Parameters for the model were obtained from laboratory determination of water retention, with a separate model parameterization for each lysimeter setup. Results show daily fluctuations in water content changes, with both root water uptake and root water excretion. The magnitude of the water content change was in the same order for all treatments, thus suggesting compensatory uptake. References Bakker G, Van der Ploeg MJ, de Rooij GH, Hoogendam CW, Gooren HPA, Huiskes C, Koopal LK and Kruidhof H. New polymer tensiometers: Measuring matric pressures down to the wilting point. Vadose Zone J. 6: 196-202, 2007. Blackman PG and Davies WJ. Root to shoot communication in maize plants of the effects of soil drying. J. Exp. Bot. 36: 39-48, 1985. Davies WJ and Zhang J. Root signals and the regulation of growth and development of plants in drying soil. Annu. Rev. Plant Physiol. Plant Mol. Biol. 42: 55-76, 1991. Gollan T, Passioura JB and Munns R. Soil water status affects the stomatal conductance of fully turgid wheat and sunflower leafs. Aust. J. Plant Physiol. 13: 459-464, 1986. Gowing DJG, Davies WJ and Jones HG. A Positive Root-sourced Signal as an Indicator of Soil Drying in Apple, Malus x domestica Borkh. J. Exp. Bot. 41: 1535-1540, 1990. Grace J. Environmental controls of gas exchange in tropical rain forests. In: Press, M.C, J.D. Scholes and M.G. Barker (ed.). Physiological plant ecology: the 39th Symposium of the British Ecological Society. Blackwell Science, United Kingdom, 1999. Kool D, Agam N, Lazarovitch N, Heitman JL, Sauer TJ, Ben-Gal A. A review of approaches for evapotranspiration partitioning. Agricultural and Forest Meteorology 184: 56- 70, 2014. Mansfield TA and De Silva DLR. Sensory systems in the roots of plants and their role in controlling stomatal function in the leaves. Physiol. Chem. Phys. & Med. 26: 89-99, 1994. Sadras VO and Milroy SP. Soil-water thresholds for the responses of leaf expansion and gas exchange: a review. Field Crops Res. 47: 253-266, 1996. Schröder N, Lazarovitch N, Vanderborcht J, Vereecken H, Javaux M. Linking transpiration reduction to rhizosphere salinity using a 3D coupled soil-plant model. Plant Soil 2013, doi: 10.1007/s11104-013-1990-8 Van der Ploeg MJ, Gooren HPA, Bakker G and de Rooij GH. Matric potential measurements by polymer tensiometers in cropped lysimeters under water-stressed conditions. Vadose Zone J. 7:1048-1053, 2008. Van der Ploeg MJ, Gooren HPA, Bakker G, Hoohendam CW, Huiskes C, Koopal LK, Kruidhof H and de Rooij GH. Polymer tensiometers with ceramic cones: direct observations of matric pressures in drying soils. Hydrology and Earth System Sciences 14, 1787-1799, 2010. Van Genuchten MTh. A closed-form equation for predicting the hydraulic conductivity of unsaturated soils. Soil Sci. Soc. Am. J. 44: 892-898, 1980. Wilson KB, Baldocchi DD and Hanson PJ. Leaf age affects the seasonal pattern of photosysnthetic capacity and net ecosystem exchange of carbon in a deciduous forest. Plant, cell and the environment 24: 571-583, 2001. Whalley WR, Ober ES, Jenkins M. Measurement of the matric protential of soil water in the rhzosphere. J. Exp. Bot. 64(13) 3951-3963, 2013.

Relativistically induced transparency acceleration of light ions by an ultrashort laser pulse interacting with a heavy-ion-plasma density gradient

NASA Astrophysics Data System (ADS)

Sahai, Aakash A.; Tsung, Frank S.; Tableman, Adam R.; Mori, Warren B.; Katsouleas, Thomas C.

2013-10-01

The relativistically induced transparency acceleration (RITA) scheme of proton and ion acceleration using laser-plasma interactions is introduced, modeled, and compared to the existing schemes. Protons are accelerated with femtosecond relativistic pulses to produce quasimonoenergetic bunches with controllable peak energy. The RITA scheme works by a relativistic laser inducing transparency [Akhiezer and Polovin, Zh. Eksp. Teor. Fiz 30, 915 (1956); Kaw and Dawson, Phys. FluidsPFLDAS0031-917110.1063/1.1692942 13, 472 (1970); Max and Perkins, Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.27.1342 27, 1342 (1971)] to densities higher than the cold-electron critical density, while the background heavy ions are stationary. The rising laser pulse creates a traveling acceleration structure at the relativistic critical density by ponderomotively [Lindl and Kaw, Phys. FluidsPFLDAS0031-917110.1063/1.1693437 14, 371 (1971); Silva , Phys. Rev. E1063-651X10.1103/PhysRevE.59.2273 59, 2273 (1999)] driving a local electron density inflation, creating an electron snowplow and a co-propagating electrostatic potential. The snowplow advances with a velocity determined by the rate of the rise of the laser's intensity envelope and the heavy-ion-plasma density gradient scale length. The rising laser is incrementally rendered transparent to higher densities such that the relativistic-electron plasma frequency is resonant with the laser frequency. In the snowplow frame, trace density protons reflect off the electrostatic potential and get snowplowed, while the heavier background ions are relatively unperturbed. Quasimonoenergetic bunches of velocity equal to twice the snowplow velocity can be obtained and tuned by controlling the snowplow velocity using laser-plasma parameters. An analytical model for the proton energy as a function of laser intensity, rise time, and plasma density gradient is developed and compared to 1D and 2D PIC OSIRIS [Fonseca , Lect. Note Comput. Sci.9783-540410.1007/3-540-47789-6_36 2331, 342 (2002)] simulations. We model the acceleration of protons to GeV energies with tens-of-femtoseconds laser pulses of a few petawatts. The scaling of proton energy with laser power compares favorably to other mechanisms for ultrashort pulses [Schreiber , Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.97.045005 97, 045005 (2006); Esirkepov , Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.92.175003 92, 175003 (2004); Silva , Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.92.015002 92, 015002 (2004); Fiuza , Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.109.215001 109, 215001 (2012)].

Impact of Duality Violations on Spectral Sum Rule analyses

NASA Astrophysics Data System (ADS)

Catà, Oscar

2007-02-01

Recent sum rule analyses on the two-point correlator have led to significant discrepancies in the values found for the OPE condensates, most dramatically in the dimension eight condensate and to a lesser extent in the dimension six one [R. Barate et al., ALEPH Collaboration, Eur. Phys. J. C 4 (1998) 409; K. Ackerstaff et al., OPAL Collaboration, Eur. Phys. J. C 7 (1999) 571, arXiv:hep-ex/9808019; S. Peris, B. Phily and E. de Rafael, Phys. Rev. Lett. 86 (2001) 14, arXiv:hep-ph/0007338; S. Friot, D. Greynat and E. de Rafael, JHEP 0410 (2004) 043, arXiv:hep-ph/0408281; M. Davier, L. Girlanda, A. Hocker and J. Stern, Phys. Rev. D 58 (1998) 096014, arXiv:hep-ph/9802447; B.L. Ioffe and K.N. Zyablyuk, Nucl. Phys. A 687 (2001) 437, arXiv:hep-ph/0010089. K.N. Zyablyuk, Eur. Phys. J. C 38 (2004) 215, arXiv:hep-ph/0404230; J. Bijnens, E. Gamiz and J. Prades, JHEP 0110 (2001) 009, arXiv:hep-ph/0108240; C.A. Dominguez and K. Schilcher, Phys. Lett. B 581 (2004) 193, arXiv:hep-ph/0309285; J. Rojo and J. I. Latorre, JHEP 0401 (2004) 055, arXiv:hep-ph/0401047; V. Cirigliano, E. Golowich and K. Maltman, Phys. Rev. D 68 (2003) 054013, arXiv:hep-ph/0305118; S. Ciulli, C. Sebu, K. Schilcher and H. Spiesberger, Phys. Lett. B 595 (2004) 359, arXiv:hep-ph/0312212. S. Narison, arXiv:hep-ph/0412152]. Precise knowledge of these condensates is of relevance in kaon decays [M. Knecht, S. Peris and E. de Rafael, Phys. Lett. B 457 (1999) 227, arXiv:hep-ph/9812471; J.F. Donoghue and E. Golowich, Phys. Lett. B 478 (2000) 172, arXiv:hep-ph/9911309; M. Knecht, S. Peris and E. de Rafael, Phys. Lett. B 508 (2001) 117, arXiv:hep-ph/0102017] and therefore it seems mandatory to assess the actual impact of what is commonly neglected in spectral sum rules, most prominently the issue of duality violations. We will explicitly compute them in a toy model and show that they are a priori non-negligible.

PUBLISHER'S ANNOUNCEMENT: Refereeing standards

NASA Astrophysics Data System (ADS)

Bender, C.; Scriven, N.

2004-08-01

On 1 January 2004 I will be assuming the position of Editor-in-Chief of Journal of Physics A: Mathematical and General (J. Phys. A). I am flattered at the confidence expressed in my ability to carry out this challenging job and I will try hard to justify this confidence. The previous Editor-in-Chief, Ed Corrigan, has worked tirelessly for the last five years and has done an excellent job for the journal. Everyone at the journal is profoundly grateful for his leadership and for his achievements. Before accepting the position of Editor-in-Chief, I visited the office of J. Phys. A to examine the organization and to assess its strengths and weaknesses. This office is located at the Institute of Physics Publishing (IOPP) headquarters in Bristol. J. Phys. A has been expanding rapidly and now publishes at the rate of nearly 1000 articles (or about 14,000 pages) per year. The entire operation of the journal is conducted in a very small space---about 15 square metres! Working in this space are six highly intelligent, talented, hard working, and dedicated people: Neil Scriven, Publisher; Mike Williams, Publishing Editor; Rose Gray and Sarah Nadin, Publishing Administrators; Laura Smith and Steve Richards, Production Editors. In this small space every day about eight submitted manuscripts are downloaded from the computer or received in the post. These papers are then processed and catalogued, referees are selected, and the papers are sent out for evaluation. In this small space the referees' reports are received, publication decisions are made, and accepted articles are then published quickly by IOPP. The whole operation is amazingly efficient. Indeed, one of the great strengths of J. Phys. A is the speed at which papers are processed. The average time between the receipt of a manuscript and an editorial decision is under sixty days. (Many distinguished journals take three to five times this amount of time.) This speed of publication is an extremely strong enticement for submitting papers to J. Phys. A. In addition to the office staff, the journal has two assets of enormous value. First, there is the pool of referees. It is impossible to have an academic system based on publication of original ideas without peer review. I believe that when one submits papers for publication in journals, one assumes a moral responsibility to participate in the peer review system. A published author has an obligation to referee papers and thereby to keep the scientific quality of published work as high as possible. In general, referees' reports that are submitted to scientific journals vary in quality. Some referees reply quickly and write detailed, careful, and helpful reports; other referees write cursory reports that are not so useful. Over the years J. Phys. A has amassed an amazingly talented and sedulous group of referees. I thank the referees of the journal who have worked so hard and have contributed their time without any expectation of financial compensation. I emphasize that the office tries hard to avoid overburdening referees. Sending back a quick and detailed response does not increase the likelihood of the referee receiving another paper to evaluate. (A number of people have told me that they sit on and delay the refereeing of papers in hopes of reducing the number of papers per year that they receive to referee. The office at J. Phys. A works to make this sort of strategy unnecessary.) The second asset is the Board of Editors and the Advisory Panel. For some journals membership on the Board of Editors is a sinecure. However, the 37 members of the Board of Editors and the 50 members of the Advisory Panel of J. Phys. A have been chosen not only because they are distinguished mathematical physicists but also because of their demonstrated willingness to work hard. Six members of the Board of Editors are designated as Section Editors: H Nishimori, Tokyo Institute of Technology, Japan (Statistical Physics); P Grassberger, Bergische Universität GH Wuppertal, Germany (Chaotic and Complex Systems); F W Nijhoff, University of Leeds, UK (Mathematical Physics); G Ghirardi, Universita di Trieste, Italy (Quantum Mechanics and Quantum Information Theory); G Dunne, University of Connecticut, Storrs, USA (Classical and Quantum Field Theory); and L Turner, Los Alamos National Laboratory, NM, USA (Fluid and Plasma Theory). It will be an honour and a pleasure to work together with all these talented people towards the high-minded goal of running a world-class scientific journal. As Editor-in-Chief of J. Phys. A, my principal objective will be to raise the standards of this first-rate journal to even higher levels by raising the quality of accepted papers. I believe that this goal will be possible to accomplish. Despite an already high rejection rate, paper submissions are rising rapidly and I anticipate that we will need to be even more stringent in our assessment of quality next year. A letter has already been sent to referees urging them to raise their standards for acceptance. I believe we will make rapid progress in this direction. (I have heard a few people criticize the journal for being a `write-only' journal. My goal is for the worldwide community of mathematical physicists to view J. Phys. A as essential reading.) I am extremely optimistic about the future of J. Phys. A. I believe that we will raise the standards of acceptance while maintaining the short time from submission to decision. I am confident that we will continue to improve the quality of the papers published in this already first-class journal. I look forward to working with the journal's excellent staff, the Board of Editors, and the Advisory Panel.

A study of the turn-up effect in the electron momentum spectroscopy

NASA Astrophysics Data System (ADS)

Dal Cappello, C.; Menas, F.; Houamer, S.; Popov, Yu V.; Roy, A. C.

2015-10-01

Recently, a number of electron momentum spectroscopy measurements for the ionization of atoms and molecules have shown that the triple differential cross section (TDCS) has an unexpected higher intensity in a low momentum regime (Brunger M J, Braidwood S W, Mc Carthy I E and Weigold E 1994 J. Phys. B: At. Mol. Opt. Phys. 27 L597, Hollebone B P, Neville J J, Zheng Y, Brion C E, Wang Y and Davidson E R 1995 Chem. Phys. 196 13, Brion C E, Zheng Y, Rolke J, Neville J J, McCarthy I E and Wang J 1998 J. Phys. B: At. Mol. Opt. Phys. 31 L223, Ren X G, Ning C G, Deng J K, Zhang S F, Su G L, Huang F and Li G Q 2005 Phys. Rev. Lett. 94 163201, Deng J K, et al 2001 J. Chem. Phys. 114 882, Ning C G, Ren X G, Deng J K, Su G L, Zhang S F and Li G Q 2006 Phys. Rev. A 73 022704). This surprising result is now called the turn-up effect. Our aim is to investigate such an effect by studying the case of the ionization of atomic hydrogen in an excited state using the 3C model (Brauner M, Briggs J S and Klar H 1989 J. Phys. B: At. Mol. Opt. Phys. 22 2265) which is able to describe all the measured results of the single ionization of atomic hydrogen in its ground state for an incident energy beyond 200 eV. A comparison is also made of the findings of the present method with those of the plane wave impulse approximation and distorted wave models.

Physics of the Cosmos Program Analysis Group (PhysPAG) Report

NASA Astrophysics Data System (ADS)

Nousek, John A.

2015-01-01

The Physics of the Cosmos Program Analysis Group (PhysPAG) serves as a forum for soliciting and coordinating input and analysis from the scientific community in support of the PCOS program objectives. I will outline the activities of the PhysPAG over the past year, since the last meeting during the AAS meeting in National Harbor, and mention the activities of the PhysPAG related Scientific Interest Groups.

Nonequilibrium Plasma Research

DTIC Science & Technology

2010-05-01

Kulikovsky, IEEE Trans. Plasma Sci. 25, 439 (1997). 61. W. Yi and P. Williams, J. Phys. D: Appl. Phys. 35, 205 (2002). 62. E. van Veldhuizen and W...Rutgers, J. Phys. D: Appl. Phys. 35, 2169 (2002). 63. E. van Veldhuizen , A. Baede, D. Hayashi, and W. Rutgers, APP Spring Meeting (Bad Honnef...Nonequilibrium Air Plasmas at Atmosphere Pressure, (Institute of Physics, Bristol, UK 2005) Review Article: P. Bletzinger, B. N. Ganguly, D. Van Wie and

Impurity and Defect Characterization in Epitaxial GaAs, InP and the Ternary and Quaternary Compound Semiconductors.

DTIC Science & Technology

1982-11-02

Wolfe, Phys. Rev. Lett. 27, 988 (1971). 5. H.R. Fetterman , D.M. Larsen, G.E. Stillman, P.E. Tannenwald, and J. Waldman, Phys.Rev. Lett. 26. 975(1971). 6...Kirkman, P.E. Simmonds, and R.A. Stradling, J. Phys. C., Solid State Phys. 8, 530 (1975). 18. H.R. Fetterman , J. Waldman and C.M. Wolfe, Solid State Commun

Summary of PhysPAG Activity

NASA Astrophysics Data System (ADS)

Nousek, John A.

2014-01-01

The Physics of the Cosmos Program Analysis Group (PhysPAG) is responsible for solicitiing and coordinating community input for the development and execution of NASA's Physics of the Cosmos (PCOS) program. In this session I will report on the activity of the PhysPAG, and solicit community involvement in the process of defining PCOS objectives, planning SMD architecture, and prioritizing PCOS activities. I will also report on the activities of the PhysPAG Executive Committee, which include the chairs of the Science Analysis Groups/ Science Interest Groups which fall under the PhysPAG sphere of interest. Time at the end of the presentation willl be reserved for questions and discussion from the community.

Quantum-Critical Dynamics of the Skyrmion Lattice.

NASA Astrophysics Data System (ADS)

Green, Andrew G.

2002-03-01

Slightly away from exact filling of the lowest Landau level, the quantum Hall ferromagnet contains a finite density of magnetic vortices or Skyrmions[1,2]. These Skyrmions are expected to form a square lattice[3], the low energy excitations of which (translation/phonon modes and rotation/breathing modes) lead to dramatically enhanced nuclear relaxation[4,5]. Upon changing the filling fraction, the rotational modes undergo a quantum phase transition where zero-point fluctuations destroy the orientational order of the Skyrmions[4,6]. I will discuss the effect of this quantum critical point upon nuclear spin relaxation[7]. [1]S. L. Sondhi et al., Phys. Rev. B47, 16419 (1993). [2]S. E. Barrett et al., Phys. Rev. Lett. 74, 5112 (1995), A. Schmeller et al., Phys. Rev. Lett. 75, 4290 (1995). [3]L. Brey et al, Phys. Rev. Lett. 75, 2562 (1995). [4]R. Côté et al., Phys. Rev. Lett. 78, 4825 (1997). [5]R. Tycko et al., Science 268, 1460 (1995). [6]Yu V. Nazarov and A. V. Khaetskii, Phys. Rev. Lett. 80, 576 (1998). [7]A. G. Green, Phys. Rev. B61, R16 299 (2000).

Reynolds number effects on the single-mode Richtmyer-Meshkov instability

NASA Astrophysics Data System (ADS)

Walchli, B.; Thornber, B.

2017-01-01

The Reynolds number effects on the nonlinear growth rates of the Richtmyer-Meshkov instability are investigated using two-dimensional numerical simulations. A decrease in Reynolds number gives an increased time to reach nonlinear saturation, with Reynolds number effects only significant in the range Re<256 . Within this range there is a sharp change in instability properties. The bubble and spike amplitudes move towards equal size at lower Reynolds numbers and the bubble velocities decay faster than predicted by Sohn's model [S.-I. Sohn, Phys. Rev. E 80, 055302 (2009), 10.1103/PhysRevE.80.055302]. Predicted amplitudes show reasonable agreement with the existing theory of Carles and Popinet [P. Carles and S. Popinet, Phys. Fluids Lett. 13, 1833 (2001), 10.1063/1.1377863; Eur. J. Mech. B 21, 511 (2002), 10.1016/S0997-7546(02)01199-8] and Mikaelian [K. O. Mikaelian, Phys. Rev. E 47, 375 (1993), 10.1103/PhysRevE.47.375; K. O. Mikaelian, Phys. Rev. E 87, 031003 (2013), 10.1103/PhysRevE.87.031003], with the former being the closest match to the current computations.

Porous TiO₂ surface formed on nickel-titanium alloy by plasma electrolytic oxidation: a prospective polymer-free reservoir for drug eluting stent applications.

PubMed

Huan, Zhiguang; Fratila-Apachitei, Lidy E; Apachitei, Iulian; Duszczyk, Jurek

2013-07-01

In this study, a porous oxide layer was formed on the surface of nickel-titanium alloy (NiTi) by plasma electrolytic oxidation (PEO) with the aim to produce a polymer-free drug carrier for drug eluting stent (DES) applications. The oxidation was performed galvanostatically in concentrated phosphoric acid electrolyte at low temperature. It was found that the response of NiTi substrate during the PEO process was different from that of bulk Ti, since the presence of large amount of Ni delayed the initial formation of a compact oxide layer that is essential for the PEO to take place. Under optimized PEO conditions, the resultant surface showed porosity, pore density and oxide layer thickness of 14.11%, 2.40 × 10⁵ pores/mm² and 0.8 μm, respectively. It was additionally noted that surface roughness after PEO did not significantly increase as compared with that of original NiTi substrate and the EDS analyses revealed a decrease in Ni/Ti ratio on the surface after PEO. The cross-section morphology showed no discontinuity between the PEO layer and the NiTi substrate. Furthermore, wettability and surface free energy of the NiTi substrate increased significantly after PEO treatment. The PEO process could be successfully translated to NiTi stent configuration proving for the first time its feasibility for such a medical device and offering potential for development of alternative, polymer-free drug carriers for NiTi DES. Copyright © 2013 Wiley Periodicals, Inc.

Exceptionally Stable Fluorous Emulsions for the Intravenous Delivery of Volatile General Anesthetics

PubMed Central

Jee, Jun-Pil; Parlato, Maria C.; Perkins, Mark G.; Mecozzi, Sandro; Pearce, Robert A.

2012-01-01

Background Intravenous delivery of volatile fluorinated anesthetics has a number of potential advantages when compared to the current inhalation method of administration. We reported previously that the IV delivery of sevoflurane can be achieved through an emulsion composed of a linear fluorinated diblock copolymer, a stabilizer, and the anesthetic. However, this original emulsion was subject to particle size growth that would limit its potential clinical utility. We hypothesized that the use of bulkier fluorous groups and smaller poly(ethylene glycol) moieties in the polymer design would result in improved emulsion stability while maintaining anesthetic functionality. Methods The authors prepared emulsions incorporating sevoflurane, perfluorooctyl bromide as a stabilizing agent, and combinations of linear fluorinated diblock copolymer and a novel dibranched fluorinated diblock copolymer. Emulsion stability was assessed using dynamic light scattering. The ability of the emulsions to induce anesthesia was tested in vivo by administering them intravenously to fifteen male Sprague-Dawley rats and measuring loss of the forepaw righting reflex. Results 20% (volume/volume) sevoflurane emulsions incorporating mixtures of dibranched- and linear diblock copolymers had improved stability, with those containing an excess of the dibranched polymers displaying stability of particle size for over one year. The ED50s for loss of forepaw righting reflex were all similar, and ranged between 0.55 and 0.60 ml/kg body weight. Conclusions Hemifluorinated dibranched polymers can be used to generate exceptionally stable sevoflurane nanoemulsions, as required of formulations intended for clinical use. Intravenous delivery of the emulsion in rats resulted in induction of anesthesia with rapid onset and smooth and rapid recovery. PMID:22354241

Reply to "Comment on `Particle path through a nested Mach-Zehnder interferometer' "

NASA Astrophysics Data System (ADS)

Griffiths, Robert B.

2018-02-01

While much of the technical analysis in the preceding Comment is correct, in the end it confirms the conclusion reached in my previous work [Phys. Rev. A 94, 032115 (2016), 10.1103/PhysRevA.94.032115]: A consistent histories analysis provides no support for the claim of counterfactual quantum communication put forward by Salih et al. [Phys. Rev. Lett. 110, 170502 (2013), 10.1103/PhysRevLett.110.170502].

α-decay systematics for superheavy elements

NASA Astrophysics Data System (ADS)

Duarte, S. B.; Teruya, N.

2012-01-01

In this Brief Report we extend the α-decay half-life calculation to the superheavy emitter region to verify whether these nuclei satisfy the recently observed systematics [D. N. Poenaru , Phys. Rev. CPRVCAN0556-281310.1103/PhysRevC.83.014601 83, 014601 (2011);C. Qi , Phys. Rev. CPRVCAN0556-281310.1103/PhysRevC.80.044326 80, 044326 (2009)]. To establish the systematics, we have used the α-cluster potential description, which was originally developed to study α decay in connection with nuclear energy level structure [B. Buck , Phys. Rev. CPRVCAN0556-281310.1103/PhysRevC.51.559 51, 559 (1995)]. The quantum-mechanical tunneling calculation has been employed to obtain the half-lives, showing that with this treatment the systematics are well reproduced in the region of heavy nuclei. Finally, the half-life calculation has been extended to the superheavy emitters to verify whether the systematics can still be observed.

One-loop light-cone QCD, effective action for reggeized gluons and QCD RFT calculus

NASA Astrophysics Data System (ADS)

Bondarenko, S.; Lipatov, L.; Pozdnyakov, S.; Prygarin, A.

2017-09-01

The effective action for reggeized gluons is based on the gluodynamic Yang-Mills Lagrangian with external current for longitudinal gluons added, see Lipatov (Nucl Phys B 452:369, 1995; Phys Rep 286:131, 1997; Subnucl Ser 49:131, 2013; Int J Mod Phys Conf Ser 39:1560082, 2015; Int J Mod Phys A 31(28/29):1645011, 2016; EPJ Web Conf 125:01010, 2016). On the base of classical solutions, obtained in Bondarenko et al. (Eur Phys J C 77(8):527, 2017), the one-loop corrections to this effective action in light-cone gauge are calculated. The RFT calculus for reggeized gluons similarly to the RFT introduced in Gribov (Sov Phys JETP 26:414, 1968) is proposed and discussed. The correctness of the results is verified by calculation of the propagators of A+ and A- reggeized gluons fields and application of the obtained results is discussed as well.

Shock-wave ion acceleration by an ultra-relativistic short laser pulse

NASA Astrophysics Data System (ADS)

Zhidkov, A.; Batishchev, O.; Uesaka, M.

2002-11-01

Research on ion acceleration by intense short laser pulses grows in the last few years [1-9] because of various applications. However, the study is mainly focused on the forward ion acceleration. We study ion inward acceleration, which in contrast to other mechanisms has density of ions per unit energy not decreased with the laser intensity [8]. Magnetic field generated due to a finite size of laser spot can affect electron distribution. In the present work we study the effect of magnetic field on the shock wave formation and ion acceleration in a solid target via 2D PIC and Vlasov simulation. Though the PIC simulation can provide detailed information, in relativistic plasmas it may not calculate B correctly: (i) too many particles are needed to make B disappeared in thermal plasmas, (ii) local scheme [10] does not satisfy curl(Epl)=0. Therefore, two approaches are used in the present study. [1] S. P. Hatchett et al., Phys. Plas. 7, 2076 (2000); [2] A. Maksimchuk et al., Phys. Rev. Lett. 84, 4108 (2000); [3] E.L. Clark et al., Phys. Rev. Lett. 85, 1654 (2000); [4] A. Zhidkov et al., Phys. Rev. E60, 3273 (1999); E61, R2224 (2000); [5] Y. Murakami et al, Phys. Plasmas 8,4138 (2001); [6] T.Zh. Esirkepov et al, JETP Lett. 70, 82 (1999); [7] A. Pukhov, Phys. Rev. Lett. 86, 3562(2001); [8] A.A. Andreev et al., Plasma Phys. Contr. Fusion (2002); [9] O.V. Batishchev et al., Plasma Phys. Rep. 20, 587 (1994); [10] J. Villasenor et al., Comp. Phys. Comm. 69, 306 (1992).

Fabrication of fillable microparticles and other complex 3D microstructures

NASA Astrophysics Data System (ADS)

McHugh, Kevin J.; Nguyen, Thanh D.; Linehan, Allison R.; Yang, David; Behrens, Adam M.; Rose, Sviatlana; Tochka, Zachary L.; Tzeng, Stephany Y.; Norman, James J.; Anselmo, Aaron C.; Xu, Xian; Tomasic, Stephanie; Taylor, Matthew A.; Lu, Jennifer; Guarecuco, Rohiverth; Langer, Robert; Jaklenec, Ana

2017-09-01

Three-dimensional (3D) microstructures created by microfabrication and additive manufacturing have demonstrated value across a number of fields, ranging from biomedicine to microelectronics. However, the techniques used to create these devices each have their own characteristic set of advantages and limitations with regards to resolution, material compatibility, and geometrical constraints that determine the types of microstructures that can be formed. We describe a microfabrication method, termed StampEd Assembly of polymer Layers (SEAL), and create injectable pulsatile drug-delivery microparticles, pH sensors, and 3D microfluidic devices that we could not produce using traditional 3D printing. SEAL allows us to generate microstructures with complex geometry at high resolution, produce fully enclosed internal cavities containing a solid or liquid, and use potentially any thermoplastic material without processing additives.

Polymeric composites on the basis of Martian ground for building future mars stations

NASA Astrophysics Data System (ADS)

Mukbaniani, O. V.; Aneli, J. N.; Markarashvili, E. G.; Tarasashvili, M. V.; Aleksidze, N. D.

2016-04-01

The colonization of Mars will require obtaining building materials which can be put in place and processed into buildings via various constructive technologies. We tried to use artificial Martian ground - AMG (GEO PAT 11-234 (2015)) and special resins for the preparation of building block prototypes. The composite material has been obtained based on the AMG as filler, epoxy resin (type ED-20) and tetraethoxysilane - TEOS. We have studied strengthening - softening temperatures and water absorption of the AMG polymer composites that are determined by epoxy resin and TEOS modification. Comparison of the experimental results shows that composites containing modified filler have higher values of the maximum ultimate strength, resistance and flexibility parameters than unmodified composites with definite loading. Modified composites also have a higher softening temperature and lower water absorption.

Electrically driven ion separations and nanofiltration through membranes coated with polyelectrolyte multilayers

NASA Astrophysics Data System (ADS)

White, Nicholas

Polyelectrolyte multilayer (PEM) films deposited using the layer-by-layer (LBL) method are attractive for their simple deposition, tailorable nature, scalability, and charge or size-based selectivity for solutes. This dissertation explores ion separations in electrodialysis (ED) and solute removal through nanofiltration with PEMs deposited on polymer membranes. ED membranes typically exhibit modest selectivities between monovalent and divalent ions. In contrast, this work shows that K+/Mg 2+ ED selectivities reach values >1000 when using Nafion 115 cation-exchange membranes coated with multilayer poly(4-styrenesulfonate) (PSS)/protonated poly(allylamine) (PAH) films. For comparison, the corresponding K+ /Mg2+ selectivity of bare Nafion 115 is <2. However, water-splitting at strongly overlimiting current densities may lead to a local pH increase close to the membrane surface and alter film permeability or allow passage of Mg(OH)x species to decrease selectivity. When the source phase contains high salt concentrations, the K+ transference number approaches unity and the K+/Mg2+ selectivity is >20,000, presumably because the applied current is below the limiting value for K+ and H+ transport is negligible at this high K+ concentration. The high selectivities of these membranes may enable electrodialysis applications such as purification of salts that contain divalent or trivalent ions. The high ED selectivities of (PAH/PSS)5PAH-coated Nafion membranes translate to separations with Li+/Co2+ and K +/La3+. Even with adsorption of only 3 polyelectrolyte layers, Nafion membranes exhibit a Li+/Co2+ selectivity >23. However, the resistance to monovalent-ion passage does not decrease significantly with fewer polyelectrolyte layers. At overlimiting currents, hydroxides from water splitting form insoluble metal hydroxides to foul the membrane. With 0.1 M source-phase salt concentrations, transference numbers for monovalent cations approach unity and selectivities are >5000 because the diffusion-limited K+ or Li+ currents exceed the applied current. However, ED selectivities gradually decline with time. Thus, future research should aim to increase membrane stability and limiting currents to fully exploit the remarkable selectivity of these membranes. PEMs deposited on commercial ultrafiltration (UF) membranes also show high rejections of organic dyes. Coating the surface of polyethersulfone (PES) membranes imparts a selective barrier to dye molecules used in textile production. These films achieve dye rejections >98% and may be useful for wastewater treatment and dye recovery. Other studies in microfluidic channels exploit ion transport phenomena in the vicinity of ion-selective junctions, such as cation-exchange membranes. These studies suggest that ion concentration polarization (ICP) could remove charged species from feed streams.

On the calculation of line strengths, oscillator strengths and lifetimes for very large principal quantum numbers in hydrogenic atoms and ions by the McLean-Watson formula

NASA Astrophysics Data System (ADS)

Hey, J. D.

2014-08-01

As a sequel to an earlier study (Hey 2009 J. Phys. B: At. Mol. Opt. Phys. 42 125701), we consider further the application of the line strength formula derived by Watson (2006 J. Phys. B: At. Mol. Opt. Phys. 39 L291) to transitions arising from states of very high principal quantum number in hydrogenic atoms and ions (Rydberg-Rydberg transitions, n > 1000). It is shown how apparent difficulties associated with the use of recurrence relations, derived (Hey 2006 J. Phys. B: At. Mol. Opt. Phys. 39 2641) by the ladder operator technique of Infeld and Hull (1951 Rev. Mod. Phys. 23 21), may be eliminated by a very simple numerical device, whereby this method may readily be applied up to n ≈ 10 000. Beyond this range, programming of the method may entail greater care and complexity. The use of the numerically efficient McLean-Watson formula for such cases is again illustrated by the determination of radiative lifetimes and comparison of present results with those from an asymptotic formula. The question of the influence on the results of the omission or inclusion of fine structure is considered by comparison with calculations based on the standard Condon-Shortley line strength formula. Interest in this work on the radial matrix elements for large n and n‧ is related to measurements of radio recombination lines from tenuous space plasmas, e.g. Stepkin et al (2007 Mon. Not. R. Astron. Soc. 374 852), Bell et al (2011 Astrophys. Space Sci. 333 377), to the calculation of electron impact broadening parameters for such spectra (Watson 2006 J. Phys. B: At. Mol. Opt. Phys. 39 1889) and comparison with other theoretical methods (Peach 2014 Adv. Space Res. in press), to the modelling of physical processes in H II regions (Roshi et al 2012 Astrophys. J. 749 49), and the evaluation bound-bound transitions from states of high n during primordial cosmological recombination (Grin and Hirata 2010 Phys. Rev. D 81 083005, Ali-Haïmoud and Hirata 2010 Phys. Rev. D 82 063521, Ali-Haïmoud 2013 Phys. Rev. D 87 023526).

Preface: Proceedings of the ESF Exploratory Workshop on Glassy Liquids under Pressure: Fundamentals and Applications (Ustroń, Poland, 10-12 October 2007) Proceedings of the ESF Exploratory Workshop on Glassy Liquids under Pressure: Fundamentals and Applications (Ustroń, Poland, 10-12 October 2007)

NASA Astrophysics Data System (ADS)

Drozd-Rzoska, Aleksandra; Rzoska, Sylwester J.; Tamarit, Josep Ll

2008-06-01

This preface focuses on the importance of pressure studies for explaining the glass transitions puzzle. Subsequently, some issues related to the European Science Foundation Exploratory Workshop (ESF EW) Glassy Liquids under Pressure: Fundamentals and Applications (Ustroń, Poland, 10-12 October 2007) are recalled. Most liquids crystallize on 'normal' cooling at the melting temperature Tm. However, some liquids can skip crystallization and undergo supercooling down to glass temperature Tg. Turnbull 1 proposed an empirical link between these temperatures indicating good glass forming ability (GFA) for Tg/Tm « 2/3. Values of the GFA factor Tg/Tm → 1/2 were suggested for 'poor' glass formers, where crystallization is difficult to avoid. Recently, the significance of the pressure dependence of the GFA factor was also noted 2. Reaching the glass transition is associated with a series of phenomena, namely 3: (i) the thermal expansion coefficient at constant pressure changes smoothly from values common for a liquid to those of a crystal, showing anomalous behaviour near Tg, (ii) viscosity reaches a value of η = 1013 P and the structural relaxation time τ ≈ 100 s, (iii) the specific heat drop occurs, giving rise to the famous Kauzmann paradox. On cooling towards glass transition, the 'pretransitional' behaviour can be observed for dynamic properties even well above Tg + 100 K 3. This includes the non-Arrhenius evolution of such magnitudes as viscosity, primary (structural-, α-) relaxation time, electric conductivity or diffusion coefficient associated with increasingly non-Debye distribution of relaxation times 3. Such behaviour is associated with short-time scale relaxation processes. The most characteristic is the secondary (β-) relaxation 4, 5 which merges with the 'structural' dynamics near τ(TB) = 10-7+/-1s, the hypothetically universal (magic) time-scale 6. Below TB the split in the evolution of the translation and orientation related properties occurs 4, 5. It is worth stressing that these features seem to be universal, shared by various systems, despite their fundamentally different microscopic basis 3-6. It is probable that the latter fact caused the long-standing interest in glass transition phenomenon. It can be said that the puzzling artifacts matched with the intuitive hypothetical universality of the given phenomenon have always attracted the attention of researchers. The modern concept of critical phenomena, developed three to four decades ago, serves as an excellent example 7, 8 Society-relevant applications of the knowledge gained from studies on the vitrification phenomenon are of great significance for material engineering such as rewritable data storage, pharmacy industry, geophysics, biotechnology, etc 3, 9-13. Glass transition physics also constitutes one of the reference points for the novel category of complex liquids/soft matter systems 13. One of the basic hallmarks of the hypothetically universal dynamics on approaching glass transition is the Angell plot 14, 15, log10τ or log10η versus Tg/T collecting 'dynamic' data for different systems with the so called fragility as a classifying metric. The latter was introduced as the slope at Tg/T = 1 in the Angell plot. Fragile liquids (large values of m) are linked to the strongly nonlinear dependence in this plot. The so called strong liquids (glassy systems) are characterized by small values of m. For the latter the most linear, Arrhenius-type behaviour takes place. In subsequent years several other measures of fragility were proposed. Fragility became one of the key concepts for glass transition physics 3, 16-20. Despite extensive experimental findings, numerical results and theoretical concepts 3, 16-20, a breakthrough in explaining the glass transition mystery has not yet been reached. The ultimate model ought to describe vitrification with the use of well defined physical parameters and yield output relations enabling simple and unambiguous experimental tests. Such a model should describe all puzzling dynamical, thermodynamic and structural features as well as identify the origins and the range of the hypothetical universality. Therefore, why are pressure studies so important? Compressing is another way of vitrifying a system without the necessity of changing the temperature. In temperature studies on glass transition both density and thermal effects are involved 3. Comprehensive temperature and pressure studies make it possible to separate these contributions and consequently to understand their role 3, 16, 20. Pressure dependences of various relaxation processes (α-, β-, etc) differ significantly. Hence, pressurization can separate these processes 17. This is hardly possible in temperature investigations under atmospheric pressure. Dynamic 'equation of states' employing data from the pressure-temperature plane may also offer a qualitatively new tool for testing the validity of the existing theoretical models. This has already been used for the study of free volume models, Adam-Gibbs model or mode coupling theory 16-18. Let's present some further possible problems associated with pressure and glass transition: (i) the origin of universal phenomena (ii) the ultimate description of the relaxation time or viscosity versus P and T (iii) the proper description of Tg(P), T0(P), TCMCT(P), evolution (iv) explaining the possible role of the negative pressures domain (v) the mystery of the pre-vitrification behaviour for systems characterized by dTg(P)/dP > 0 and dTg(P)/dP < 0 (vi) the answer to the question 'does fragility depend on pressure?' (vii) understanding the role of volume in vitrification (viii) β- process related questions (ix) the mode-coupling theory predictions for the pressure path: this includes the 'universality' or 'non-universality' of the power exponent describing the evolution of τ(T) or η(T) (x) the appearance of dynamic hetergeneities on pressuirization, (xi) the decoupling between rotational and translational degrees of freedom (xii) the vitrification-related behaviour at extreme pressures in the multi-GPa domain. All these problems show that pressure studies on supercooled liquids and glassy systems can shed new light on properties observed under atmospheric pressure. In our opinion comprehensive pressure and temperature research, supported by PVT measurements and matched with sophisticated state-of-the-art modern techniques, may deliver qualitatively new input data for numerical analysis as well as for verification and construction of theoretical models. All these can form a milestone for reaching a long expected breakthrough in glass transition physics. We would like to stress the interdisciplinary significance of high pressure studies on glass forming materials. They are important not only for condensed matter and soft matter physics but also for tailoring new materials, for biotechnological issues or for deep Earth and planetary sciences 3, 9-13, 16-18. This poses an additional challenge for glassy liquids under pressure studies. This issue contains the majority of results presented at the European Science Foundation Exploratory Workshop (ESF EW) 'Glassy Liquids Under Pressure', Ustroń, Poland, 10-12 October, 2007 (convenors: Aleksandra Drozd-Rzoska (Poland) and Josep Ll Tamarit (Spain)). Aleksandra Drozd-Rzoska belongs to the group (together with Sylwester J Rzoska, Marian Paluch Paluch, Jerzy Zioło, Sebastian Pawlus, Michał Mierzwa and the staff of PhD students) from the Department of Biophysics and Molecular Physics, Institute of Physics, Silesian University, Katowice, Poland), which began pressure studies in liquids almost three decades ago. First, these investigations focused on critical mixtures and liquid crystals 21-24. On the basis of experimental solutions developed in that period, pressure studies of dielectric relaxation in supercooled, vitrifying systems began a decade ago 18, 25-27 Results associated with these studies are recalled in some of the papers presented in this issue. Josep Ll Tamarit is the coordinator of the Group of Characterization of Materials at the Department of Physics and Nuclear Engineering, Universitat Politécnica de Catalunya, Barcelona. Over the last 20 years the group has conducted thermodynamic and structural studies on several series of compounds and on their mixed crystals 28-33. They invariably involve orientationally disordered phases. For such materials, also known as plastic crystals, the average positions of the centers of mass of the molecules form a regular high-symmetry lattice while the orientations are dynamically disordered. It is well known that the dynamics of (canonical) glasses is almost completely controlled by orientational degrees of freedom 34 and thus, vitrifying orientationally disordered crystals can yield materials with a reduction of complexity. This can be important for reaching a better insight into the glass state and vitrification in general. The European Science Foundation Exploratory Workshop (ESF EW) is a brainstorming panel for the best specialists in the given field of science. Participants of the ESF EW 'Glassy Liquids Under Pressure' arrived at the Institute of Physics, the Silesian University, Katowice, Poland on 10 October 2007. Katowice is the capital of Upper Silesia and of the metropolitan area of Silesia (population ≈ 4 000 000)—the most industrial area of Poland. The conference coach took participants to the Jaskółka Hotel in Ustroń, a tourist resort situated in the beautiful valley at the foot of the Beskidy mountains (a part of West Carpaty), 80 km south from Katowice. The picturesque surroundings together with the delicious local cuisine created a stimulating atmosphere for the three days of lectures and discussions. References [1] Turnbull D 1969 Under what criterion the glass can be formed Contemp. Phys.10 3473 [2] Drozd-Rzoska A, Rzoska S J and Imre A R 2007 On the pressure evolution of the melting temperature and the glass transition temperature J. Non-Cryst. Solids 353 3915 [3]Donth E 1998 The Glass Transition. Relaxation Dynamics in Liquids and Disordered Materials(Springer Series in Materials Science II vol 48) (Berlin: Springer) [4] Johari G P and Goldstein M 1971 Viscous liquids and the glass transition in aliphatic alcohols and other norigid molecules J. Chem. Phys. 55 4245 [5] Roland C M and Casalini R 2004 Viscosity crossover in 0-therphenyl and salol under high pressure Phys. Rev. Lett.92 245702 [6] Novikov V N and Sokolov A P 2003 Universality of the dynamic crossover in glass-forming liquids: A 'magic' relaxation time Phys. Rev. E 67 031507 [7] Stanley H E 1971/1987 Introduction to Critical Phenomena (New York: Oxford University Press) [8] Anisimov M A 1993 Critical Phenomena in Liquids and in Liquid Crystals (Reading: Gordon and Breach) [9] McMillan P F 2003 New materials from high pressure experiments: challenges and opportunities High Press. Res. 67 031507 [10] Craig D Q M, Royall P G, Kett V L and Hopton M L 1999 The relevance of the amorphous state to pharmaceutical dosage forms: glass drugs and freeze dried systems Int. J. Pharm. 179 179 [11] Poirier J P 2000 Introduction to the physics of the earth's interior (Cambridge: Cambridge University Press) [12] Mezzega E, Shurtenberger P, Burbridge A and Michel M 2005 Understanding food as soft materials Nature Mater. 4 729 [13] Jones R A L 2002 Soft Condensed Matter Physics (New York: Oxford University Press) [14] Angell C A 1985 Strong and fragile liquids Relaxations in Complex Systems Ngai K L and Wright (ed) (Springfield: National Technical Information Service, US Department of Commerce) 1 [15] Böhmer R, Ngai K L, Angell C A and Plazek D J 1993 Nonexponential relaxations in strong and fragile glass formers J. Chem. Phys. 99 4201 [16] Floudas G 2004 Effects of pressure on systems with intristic orientational order Prog. Polym. Sci. 29 1143 [17] Roland C M, Hensel-Bielowka S, Paluch M and Casalini R 2005 Supercooled dynamics of glass-forming liquids and polymers under hydrostatic pressure Rep. Prog. Phys. 68 1405 [18] Rzoska S J and Mazur V (ed) 2007 Soft Matter Under Exogenic Impacts(NATO Science Series II vol 242) (Berlin: Springer) [19] Sastry S, Debenedetti P G and Stillinger F H 1998 Signatures of distinct dynamical regimes in the energy landscape of a glass-forming liquid Nature 393 54 [20] Niss K, Alba-Simionesco Ch 2006 Effect of density and temperature on correlations between fragility and glassy properties Phys. Rev. B 74 54 024205 [21] Charpeć J, Rzoska S J and Zioło J 1985 The influence of pressure and temperature on the critical properties of a nitrobenzene - hexane solution by the NDE method Phase Transit.5 49 [22] Drozd-Rzoska A, Rzoska S J and Zioło J 1997 High pressure studies of the low-frequency nonlinear dielectric effect in the isotropic phase of octyl- and dodecyl-cyanobiphenyl Phys. Rev. E 55 2888 [23] DRzoska S J, Zioło J, Drozd-Rzoska A 1997 Stretched-relaxation after switching-off a strong electric field in a critical solution under high pressure Phys. Rev. E 56 2578 [24] Rzoska S J, Urbanowicz P, Drozd-Rzoska A, Paluch M and Habdas P 1999 Pressure behaviour of dielectric permittivity on approaching the critical consolute point Europhys. Lett. 45 334 [25] Paluch M, Zioło J and Rzoska S J 1997 Dielectric relaxation of glass-forming epoxy-resin under high pressure Phys. Rev. E 56 5764 [26] Paluch M, Rzoska S J and Zioło J 1998 On the pressure behaviour of dielectric relaxation times in supercooled, glassforming liquids J. Phys.: Condens. Matter 10 4131 [27] Drozd-Rzoska A, Rzoska S J, Paluch M, Imre A R and Roland C M 2007 On the glass temperature under extreme pressures J. Chem. Phys. 126 164504 [28] Reuter J, Büsing D, Tamarit J Ll and Wüflinger A 1996 J. Mater. Chem. 7 41 [29] Rute M A, Salud J, Negrier Ph, López D O, Tamarit J Ll, Puertas R, Barrio M and Mondieig D 2003 The two-component system cycloheptanol (C7) + cyclooctanol (C8): an extraordinary system J. Phys. Chem. B 107 5914 [30] Pardo L C, Veglio N, Bermejo F J, Tamarit J Li and Cuello G J 2005 Orientational short-range-order in disordered phases of methylhalogenomethanes Phys. Rev. B 72 014206 [31] Tamarit J Ll, Pérez-Jubindo M A and de la Fuente M R 1997 Dielectric studies on orientationally disordered phases of neopentylglycol ((CH3)2C(CH2OH)2) and tris(hydroxymethyl) aminomethane (NH2C(CH2OH)3) J. Phys.: Condens. Matter 9 5469 [32] Jenau M, Reuter J, WüflingerA and Tamarit J Ll 1996 Crystal and pvT data and thermodynamics if the phase transitions on 2-methyl-2-nitro-propane J. Chem. Soc. Faraday Trans. E 92 1899 [33] Drozd-Rzoska A, Rzoska S J, Pawlus S and Tamarit J Ll 2006 Dielectric relaxation in compressed glassy and orietationally disordered mixed crystals Phys. Rev. B 56 5764 [34] Talon C, Ramos M A, Vieira S, Cuello G J, Bermejo F J, Criado A, Senent M L, Bennington S M, Fischer H E and Schober H 1998 Low-temperature specific heat and glassy dynamics of a polymorphic molecular solid Phys. Rev. B 58 745

Electronic Relaxation Processes of Transition Metal Atoms in Helium Nanodroplets

NASA Astrophysics Data System (ADS)

Kautsch, Andreas; Lindebner, Friedrich; Koch, Markus; Ernst, Wolfgang E.

2014-06-01

Spectroscopy of doped superfluid helium nanodroplets (He_N) gives information about the influence of this cold, chemically inert, and least interacting matrix environment on the excitation and relaxation dynamics of dopant atoms and molecules. We present the results from laser induced fluorescence (LIF), photoionization (PI), and mass spectroscopy of Cr and Cu doped He_N. From these results, we can draw a comprehensive picture of the complex behavior of such transition metal atoms in He_N upon photo-excitation. The strong Cr and Cu ground state transitions show an excitation blueshift and broadening with respect to the bare atom transitions which can be taken as indication for the solvation inside the droplet. From the originally excited states the atoms relax to energetically lower states and are ejected from the He_N. The relaxation processes include bare atom spin-forbidden transitions, which clearly bears the signature of the He_N influence. Two-color resonant two-photon ionization (2CR2PI) also shows the formation of bare atoms and small Cr-He_n and Cu-He_n clusters in their ground and metastable states ^c. Currently, Cr dimer excitation studies are in progress and a brief outlook on the available results will be given. C. Callegari and W. E. Ernst, Helium Droplets as Nanocryostats for Molecular Spectroscopy - from the Vacuum Ultraviolet to the Microwave Regime, in Handbook of High-Resolution Spectroscopy, eds. M. Quack and F. Merkt, John Wiley & Sons, Chichester, 2011. A. Kautsch, M. Koch, and W. E. Ernst, J. Phys. Chem. A, 117 (2013) 9621-9625, DOI: 10.1021/jp312336m F. Lindebner, A. Kautsch, M. Koch, and W. E. Ernst, Int. J. Mass Spectrom. (2014) in press, DOI: 10.1016/j.ijms.2013.12.022 M. Koch, A. Kautsch, F. Lackner, and W. E. Ernst, submitted to J. Phys. Chem. A

Rapid-Adiabatic Control of Ro-Vibrational Populations in Polyatomic Molecules

NASA Astrophysics Data System (ADS)

Zak, Emil J.; Yachmenev, Andrey

2017-06-01

We present a simple method for control of ro-vibrational populations in polyatomic molecules in the presence of inhomogeneous electric fields [1]. Cooling and trapping of heavy polar polyatomic molecules has become one of the frontier goals in high-resolution molecular spectroscopy, especially in the context of parity violation measurement in chiral compounds [2]. A key step toward reaching this goal would be development of a robust and efficient protocol for control of populations of ro-vibrational states in polyatomic, often floppy molecules. Here we demonstrate a modification of the stark-chirped rapid-adiabatic-passage technique (SCRAP) [3], designed for achieving high levels of control of ro-vibrational populations over a selected region in space. The new method employs inhomogeneous electric fields to generate space- and time- controlled Stark-shifts of energy levels in molecules. Adiabatic passage between ro-vibrational states is enabled by the pump pulse, which raises the value of the Rabi frequency. This Stark-chirped population transfer can be used in manipulation of population differences between high-field-seeking and low-field-seeking states of molecules in the Stark decelerator [4]. Appropriate timing of voltages on electric rods located along the decelerator combined with a single pump laser renders our method as potentially more efficient than traditional Stark decelerator techniques. Simulations for NH_3 show significant improvement in effectiveness of cooling, with respect to the standard 'moving-potential' method [5]. At the same time a high phase-space acceptance of the molecular packet is maintained. E. J. Zak, A. Yachmenev (submitted). C. Medcraft, R. Wolf, M. Schnell, Angew. Chem. Int. Ed., 53, 43, 11656-11659 (2014) M. Oberst, H. Munch, T. Halfman, PRL 99, 173001 (2007). K. Wohlfart, F. Grätz, F. Filsinger, H. Haak, G. Meijer, J. Küpper, Phys. Rev. A 77, 031404(R) (2008). H. L. Bethlem, F. M. H. Crompvoets, R. T. Jongma, S. Y. T. van de Meerakker, G. Meijer, Phys. Rev. A, 65, 053416 (2002).

Reply to "Comment on `Protecting bipartite entanglement by quantum interferences' "

NASA Astrophysics Data System (ADS)

Das, Sumanta; Agarwal, G. S.

2018-03-01

In a recent Comment Nair and Arun, Phys. Rev. A 97, 036301 (2018), 10.1103/PhysRevA.97.036301, it was concluded that the two-qubit entanglement protection reported in our work [Das and Agarwal, Phys. Rev. A 81, 052341 (2010), 10.1103/PhysRevA.81.052341] is erroneous. While we acknowledge the error in analytical results on concurrence when dipole matrix elements were unequal, the essential conclusions on entanglement protection are not affected.

ERRATUM: Papers published in incorrect sections

NASA Astrophysics Data System (ADS)

2004-04-01

A number of J. Phys. A: Math. Gen. articles have mistakenly been placed in the wrong subject section in recent issues of the journal. We would like to apologize to the authors of these articles for publishing their papers in the Fluid and Plasma Theory section. The correct section for each article is given below. Statistical Physics Issue 4: Microcanonical entropy for small magnetizations Behringer H 2004 J. Phys. A: Math. Gen. 37 1443 Mathematical Physics Issue 9: On the solution of fractional evolution equations Kilbas A A, Pierantozzi T, Trujillo J J and Vázquez L 2004 J. Phys. A: Math. Gen. 37 3271 Quantum Mechanics and Quantum Information Theory Issue 6: New exactly solvable isospectral partners for PT-symmetric potentials Sinha A and Roy P 2004 J. Phys. A: Math. Gen. 37 2509 Issue 9: Symplectically entangled states and their applications to coding Vourdas A 2004 J. Phys. A: Math. Gen. 37 3305 Classical and Quantum Field Theory Issue 6: Pairing of parafermions of order 2: seniority model Nelson C A 2004 J. Phys. A: Math. Gen. 37 2497 Issue 7: Jordan-Schwinger map, 3D harmonic oscillator constants of motion, and classical and quantum parameters characterizing electromagnetic wave polarization Mota R D, Xicoténcatl M A and Granados V D 2004 J. Phys. A: Math. Gen. 37 2835 Issue 9: Could only fermions be elementary? Lev F M 2004 J. Phys. A: Math. Gen. 37 3285

A comparison of three radiation models for the calculation of nozzle arcs

NASA Astrophysics Data System (ADS)

Dixon, C. M.; Yan, J. D.; Fang, M. T. C.

2004-12-01

Three radiation models, the semi-empirical model based on net emission coefficients (Zhang et al 1987 J. Phys. D: Appl. Phys. 20 386-79), the five-band P1 model (Eby et al 1998 J. Phys. D: Appl. Phys. 31 1578-88), and the method of partial characteristics (Aubrecht and Lowke 1994 J. Phys. D: Appl.Phys. 27 2066-73, Sevast'yanenko 1979 J. Eng. Phys. 36 138-48), are used to calculate the radiation transfer in an SF6 nozzle arc. The temperature distributions computed by the three models are compared with the measurements of Leseberg and Pietsch (1981 Proc. 4th Int. Symp. on Switching Arc Phenomena (Lodz, Poland) pp 236-40) and Leseberg (1982 PhD Thesis RWTH Aachen, Germany). It has been found that all three models give similar distributions of radiation loss per unit time and volume. For arcs burning in axially dominated flow, such as arcs in nozzle flow, the semi-empirical model and the P1 model give accurate predictions when compared with experimental results. The prediction by the method of partial characteristics is poorest. The computational cost is the lowest for the semi-empirical model.

Reynolds number effects on the single-mode Richtmyer-Meshkov instability.

PubMed

Walchli, B; Thornber, B

2017-01-01

The Reynolds number effects on the nonlinear growth rates of the Richtmyer-Meshkov instability are investigated using two-dimensional numerical simulations. A decrease in Reynolds number gives an increased time to reach nonlinear saturation, with Reynolds number effects only significant in the range Re<256. Within this range there is a sharp change in instability properties. The bubble and spike amplitudes move towards equal size at lower Reynolds numbers and the bubble velocities decay faster than predicted by Sohn's model [S.-I. Sohn, Phys. Rev. E 80, 055302 (2009)PLEEE81539-375510.1103/PhysRevE.80.055302]. Predicted amplitudes show reasonable agreement with the existing theory of Carles and Popinet [P. Carles and S. Popinet, Phys. Fluids Lett. 13, 1833 (2001)10.1063/1.1377863; Eur. J. Mech. B 21, 511 (2002)EJBFEV0997-754610.1016/S0997-7546(02)01199-8] and Mikaelian [K. O. Mikaelian, Phys. Rev. E 47, 375 (1993)1063-651X10.1103/PhysRevE.47.375; K. O. Mikaelian, Phys. Rev. E 87, 031003 (2013)PLEEE81539-375510.1103/PhysRevE.87.031003], with the former being the closest match to the current computations.

Magnetic and structural X-ray dichroïsms of metallic multilayers

NASA Astrophysics Data System (ADS)

Pizzini, Stefania; Fontaine, A.; Baudelet, F.; Minr, S.; Giorgetti, C.; Dartyge, E.; Bobo, J. F.; Piecuch, M.

1995-05-01

Fe/Cu and Co/Cu multilayers are intensively studied because of their exceptional magnetic properties, i.e., their giant magnetoresistance and the oscillations of the magnetic coupling between magnetic layers as a function of the thickness of the copper spacer [S.S. Parkin et al., Phys. Rev. Lett. 66 (1991) 2152; F. Petroff et al., Phys. Rev. B 44 (1991) 5355]. Spectroscopic approaches to the understanding of the coupling of ferromagnetic layers through a noble metal layer have been recently introduced, in particular spin-resolved photoemission [N.B. Brookes et al., Phys. Rev. Lett. 67 (1991) 354; C. Carbone et al., PRL 71 (1993) 2805] inverse photoemission [J.E. Ortega et al., Phys. Rev. Lett. 69 (1992) 844; Phys. Rev. B 47 (1993) 1540] and magnetic circular dichroism [S. Pizzini et al., MRS Symp. Proc., vol. 313 (1993); M.G. Samant et al. Phys. Rev. Lett. 72 (1994) 2152; S. Pizzini et al., Phys. Rev. Lett. 74 (1995) 1470]. X-ray absorption spectroscopy appears to be effective both for determination of the local structure, specific to the bidimensionality of the system but also for the electron symmetry-dependent evaluation of the spin polarisation of the noble metal as well as the magnetic element.

Fully relativistic B-spline R-matrix calculations for electron collisions with xenon

NASA Astrophysics Data System (ADS)

Bartschat, Klaus; Zatsarinny, Oleg

2009-05-01

We have applied our recently developed fully relativistic Dirac B-spline R-matrix (DBSR) code [1] to calculate electron scattering from xenon atoms. Results from a 31-state close-coupling model for the excitation function of the metastable (5p^5 6s) J=0,2 states show excellent agreement with experiment [2], thereby presenting a significant improvement over the most sophisticated previous Breit-Pauli calculations [3,4]. This allows for a detailed and reliable analysis of the resonance structure. The same model is currently being used to calculate electron-impact excitation from the metastable J=2 state. The results will be compared with recent experimental data [5] and predictions from other theoretical models [6,7]. [1] O. Zatsarinny and K. Bartschat, Phys. Rev. A 77 (2008) 062701. [2] S. J. Buckman et al., J. Phys. B 16 (1983) 4219. [3] A. N. Grum-Grzhimailo and K. Bartschat, J. Phys. B 35 (2002) 3479. [4] M. Allan et al., Phys. Rev. A 74 (2006) 030701(R). [5] R. O. Jung et al., Phys. Rev. A 72 (2005) 022723. [6] R. Srivastava et al., Phys. Rev. A 74 (2006) 012715. [7] J. Jiang et al., J. Phys. B 41 (2008) 245204.

Molecular simulation investigation of the nanorheology of an entangled polymer melt

NASA Astrophysics Data System (ADS)

Karim, Mir; Khare, Rajesh; Indei, Tsutomu; Schieber, Jay

2014-03-01

Knowledge of the ``local rheology'' is important for viscoelastic systems that contain significant structural and dynamic heterogeneities, such as cellular and extra-cellular crowded environments. For homogeneous viscoelastic media, a study of probe particle motion provides information on the microstructural evolution of the medium in response to the probe particle motion. Over the last two decades, probe particle rheology has emerged as a leading experimental technique for capturing local rheology of complex fluids. In recent work [M. Karim, S. C. Kohale, T. Indei, J. D. Schieber, and R. Khare, Phys. Rev. E86, 051501 (2012)], we showed that this approach can be used in molecular dynamics (MD) simulations to study the nanoscale viscoelastic properties of an unentangled polymer melt; an important conclusion of that work was that medium and particle inertia play a crucial role in analysis of the particle rheology simulation data. MD simulations have a natural advantage that they enable study of deformation and dynamics over a small length scale around the moving probe particle. In this work, the approach is extended to compare the motion of a nanoscale probe in melts of entangled and unentangled chains. The simulations will be used to elucidate the differences between the local responses of these media to the probe particle motion. In particular, results will be presented for the differences in the resultant velocity and stress fields as well as any possible structural asymmetry developed around the moving probe particle in the entangled and unentangled cases.

Multiplicity-dependent and nonbinomial efficiency corrections for particle number cumulants

NASA Astrophysics Data System (ADS)

Bzdak, Adam; Holzmann, Romain; Koch, Volker

2016-12-01

In this article we extend previous work on efficiency corrections for cumulant measurements [Bzdak and Koch, Phys. Rev. C 86, 044904 (2012), 10.1103/PhysRevC.86.044904; Phys. Rev. C 91, 027901 (2015), 10.1103/PhysRevC.91.027901]. We will discuss the limitations of the methods presented in these papers. Specifically we will consider multiplicity dependent efficiencies as well as nonbinomial efficiency distributions. We will discuss the most simple and straightforward methods to implement those corrections.

Reply to "Comment on `Troublesome aspects of the Renyi-MaxEnt treatment' "

NASA Astrophysics Data System (ADS)

Plastino, A.; Rocca, M. C.; Pennini, F.

2017-11-01

This Reply is intended as a refutation of the preceding Comment [Oikonomou and Bagci, Phys. Rev. E 96, 056101 (2017), 10.1103/PhysRevE.96.056101] on our paper [Plastino et al., Phys. Rev. E 94, 012145 (2016)., 10.1103/PhysRevE.94.012145]. We show that the Tsallis probability distribution of our paper does not coincide with the Tsallis distribution studied by Oikonomou and Bagci. Consequently, their findings do not apply to our paper.

Reply to "Comment on 'Troublesome aspects of the Renyi-MaxEnt treatment' ".

PubMed

Plastino, A; Rocca, M C; Pennini, F

2017-11-01

This Reply is intended as a refutation of the preceding Comment [Oikonomou and Bagci, Phys. Rev. E 96, 056101 (2017)10.1103/PhysRevE.96.056101] on our paper [Plastino et al., Phys. Rev. E 94, 012145 (2016).1539-375510.1103/PhysRevE.94.012145]. We show that the Tsallis probability distribution of our paper does not coincide with the Tsallis distribution studied by Oikonomou and Bagci. Consequently, their findings do not apply to our paper.

ERRATUM: High-resolution electron spectroscopy of the 1s23lnl' Be-like series in oxygen and neon. Test of theoretical data: I. Experimental method and theoretical background

NASA Astrophysics Data System (ADS)

Bordenave-Montesquieu, A.; Moretto-Capelle, P.; Bordenave-Montesquieu, D.

2003-02-01

The J. Phys. B publishing team would like to apologize to the authors of the above paper. In this paper, references [42] and [43] were printed incorrectly. The correct references are: [42] Bordenave-Montesquieu A, Gleizes A and Benoit-Cattin P 1982 Phys. Rev. A 25 245-67 [43] Bordenave-Montesquieu A et al 1987 J. Phys. B: At. Mol. Phys. 20 L695-703.

Calculation of the Gibbs Free Energy of Solvation and Dissociation of HCl in Water via Monte Carlo Simulations and Continuum Solvation Models

DTIC Science & Technology

2013-01-01

Narten, J. Chem. Phys., 1975, 63, 3624–3631. 10 A. Botti, F. Bruni, S. Imberti, M. A. Ricci and A. K. Soper , J. Chem. Phys., 2004, 121, 7840–7848. 11 D...10478. 48 I. Harsányi and L. Pusztai, J. Phys.: Condens. Matter, 2005, 17, S59–S65. 49 A. Botti, F. Bruni, M. A. Ricci and A. K. Soper , J. Chem. Phys

Multiplicity-dependent and nonbinomial efficiency corrections for particle number cumulants

DOE PAGES

Bzdak, Adam; Holzmann, Romain; Koch, Volker

2016-12-19

Here, we extend previous work on efficiency corrections for cumulant measurements [Bzdak and Koch, Phys. Rev. C 86, 044904 (2012)PRVCAN0556-281310.1103/PhysRevC.86.044904; Phys. Rev. C 91, 027901 (2015)PRVCAN0556-281310.1103/PhysRevC.91.027901]. We will then discuss the limitations of the methods presented in these papers. Specifically we will consider multiplicity dependent efficiencies as well as nonbinomial efficiency distributions. We will discuss the most simple and straightforward methods to implement those corrections.

On the Runge-Lenz-Pauli vector operator as an aid to the calculation of atomic processes in laboratory and astrophysical plasmas

NASA Astrophysics Data System (ADS)

Hey, J. D.

2015-09-01

On the basis of the original definition and analysis of the vector operator by Pauli (1926 Z. Phys. 36 336-63), and further developments by Flamand (1966 J. Math. Phys. 7 1924-31), and by Becker and Bleuler (1976 Z. Naturforsch. 31a 517-23), we consider the action of the operator on both spherical polar and parabolic basis state wave functions, both with and without direct use of Pauli’s identity (Valent 2003 Am. J. Phys. 71 171-75). Comparison of the results, with the aid of two earlier papers (Hey 2006 J. Phys. B: At. Mol. Opt. Phys. 39 2641-64, Hey 2007 J. Phys. B: At. Mol. Opt. Phys. 40 4077-96), yields a convenient ladder technique in the form of a recurrence relation for calculating the transformation coefficients between the two sets of basis states, without explicit use of generalized hypergeometric functions. This result is therefore very useful for application to Stark effect and impact broadening calculations applied to high-n radio recombination lines from tenuous space plasmas. We also demonstrate the versatility of the Runge-Lenz-Pauli vector operator as a means of obtaining recurrence relations between expectation values of successive powers of quantum mechanical operators, by using it to provide, as an example, a derivation of the Kramers-Pasternack relation. It is suggested that this operator, whose potential use in Stark- and Zeeman-effect calculations for magnetically confined fusion edge plasmas (Rosato, Marandet and Stamm 2014 J. Phys. B: At. Mol. Opt. Phys. 47 105702) and tenuous space plasmas ( H II regions) has not been fully explored and exploited, may yet be found to yield a number of valuable results for applications to plasma diagnostic techniques based upon rate calculations of atomic processes.

Response to "Comment on `Solitonic and chaotic behaviors for the nonlinear dust-acoustic waves in a magnetized dusty plasma'" [Phys. Plasmas 24, 094701 (2017)

NASA Astrophysics Data System (ADS)

Zhen, Hui-Ling; Tian, Bo; Xie, Xi-Yang; Wu, Xiao-Yu; Wen, Xiao-Yong

2018-02-01

On our previous construction [H. L. Zhen et al., Phys. Plasmas 23, 052301 (2016)] of the soliton solutions of a model describing the dynamics of the dust particles in a weakly ionized, collisional dusty plasma comprised of the negatively charged cold dust particles, hot ions, hot electrons, and stationary neutrals in the presence of an external static magnetic field, Ali et al. [Phys. Plasmas 24, 094701 (2017)] have commented that there exists a different form of Eq. (4) from that shown in Zhen et al. [Phys. Plasmas 23, 052301 (2016)] and that certain interesting phenomena with the dust neutral collision frequency ν0>0 are ignored in Zhen et al. [Phys. Plasmas 23, 052301 (2016)]. In this Reply, according to the transformation given by the Ali et al. [Phys. Plasmas 24, 094701 (2017)] comment, we present some one-, two-, and N-soliton solutions which have not been obtained in the Ali et al. [Phys. Plasmas 24, 094701 (2017)] comment. We point out that our previous solutions in Zhen et al. [Phys. Plasmas 23, 052301 (2016)] are still valid because of the similarity between the two dispersion relations of previous solutions in Zhen et al. [Phys. Plasmas 23, 052301 (2016)] and the solutions presented in this Reply. Based on our soliton solutions in this Reply, it is found that the soliton amplitude is inversely related to Zd and B0, but positively related to md and α, where α refers to the coefficient of the nonlinear term, Zd and md are the charge number and mass of a dust particle, respectively, B0 represents the strength of the external static magnetic field. We also find that the two solitons are always in parallel during the propagation.

Comment on “Theoretical analysis of high-field transport in graphene on a substrate” [J. Appl. Phys. 116, 034507 (2014)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tan, Michael L. P.; Arora, Vijay K., E-mail: vijay.arora@wilkes.edu; Department of Electrical Engineering and Physics, Wilkes University, Wilkes-Barre, Pennsylvania 18766

2014-12-21

In a recent article, Serov et al. [J. Appl. Phys. 116, 034507 (2014)] claim: “This study represents the first time that the high-field behavior in graphene on a substrate was investigated taking into account intrinsic graphene properties,” ignoring the most recent anisotropic distribution function [V. K. Arora et al., J. Appl. Phys. 112, 114330 (2012)] also published in J. Appl. Phys., targeting the same experimental data [V. E. Dorgan et al., Appl. Phys. Lett. 97, 082112 (2010)]. The claim of Serov et al. of being first is refuted and many shortcomings of the hydrodynamic model for a highly quantum andmore » degenerate graphene nanolayer are pointed out.« less

Decomposed Fragment Identification in C_8F_18 RF Plasma for a-C:F Film Production

NASA Astrophysics Data System (ADS)

Sakai, Yosuke; Tazawa, Shota; Bratescu, Maria; Suda, Yoshiyuki; Sugawara, Hirotake

2004-09-01

Amorphous fluorocarbon polymer (a-C:F) film shows excellent insulation properties such as low dielectric constant (<2.5), high dielectric strength (>2 MV/cm), low surface energy, and chemical inertness. Therefore, we have studied this film for a purpose of an additional insulator to enhance the breakdown voltage in an alternative to a SF6 gas insulation system. The films are prepared using a C_8F_18 vapor RF plasma. When per-fluorocarbon, such as C_8F_18 as source gases, then the deposition rate becomes roughly two orders of magnitude higher than that obtained from conventional low molecular-weight source monomers (CF_4, C_2F_6, C_3F_6, and C_4F_8) [1]. The breakdown voltage (V_s) of N_2, Ar and He gases between the a-C:F film coated Al sphere-sphere electrodes for a gas pressure (p) times gap length (d), pd=0.1-100 Torr¥cm, was studied as well. Then, Vs between the a-C:F film coated electrodes was a several times higher than that between the Al electrodes in the present pd range[2]. In this work, the decomposed species of C_8F_18 in the plasma were identified using emission spectra from the plasma and Quadra-pole mass spectrograph, and the reason why the high deposition rate was obtained was discussed. The physical and chemical properties of a-C:F film was analyzed. [1] C.P.Lungu, et.al., Jpn. J. Appl. Phys. 38 (12B) L1544 - L1546 (1999) [2] C.Biloiu, et.al., Jpn. J. Appl. Phys. 42 (2B) L 201- L203 (2003) Work supported by Grant-in-Aid for Scientific Research (B), JSPS.

Precise micropatterning of silver nanoparticles on plastic substrates

NASA Astrophysics Data System (ADS)

Ammosova, Lena; Jiang, Yu; Suvanto, Mika; Pakkanen, Tapani A.

2017-04-01

Conventional fabrication methods to obtain metal patterns on polymer substrates are restricted by high operating temperature and complex preparation steps. The present study demonstrates a simple yet versatile method for preparation of silver nanoparticle micropatterns on polymer substrates with various surface geometry. With the microworking robot technique, we were able not only to directly structure the surface, but also precisely deposit silver nanoparticle ink on the desired surface location with the minimum usage of ink material. The prepared silver nanoparticle ink, containing silver cations and polyethylene glycol (PEG) as a reducing agent, yields silver nanoparticle micropatterns on plastic substrates at low sintering temperature without any contamination. The influence of the ink behaviour was studied, such as substrate wettability, ink volume, and sintering temperature. The ultraviolet visible (UV-vis), scanning electron microscopy (SEM), and energy dispersive spectroscopy (EDS) measurements revealed the formation of micropatterns with uniformly distributed silver nanoparticles. The prepared patterns are expected to have a broad range of applications in optics, medicine, and sensor devices owing to the unique properties of silver. Furthermore, the deposition of a chemical compound, which is different from the substrate material, not only adds a fourth dimension to the prestructured three-dimensional (3D) surfaces, but also opens new application areas to the conventional surface structures.

Complete set of essential parameters of an effective theory

NASA Astrophysics Data System (ADS)

Ioffe, M. V.; Vereshagin, V. V.

2018-04-01

The present paper continues the series [V. V. Vereshagin, True self-energy function and reducibility in effective scalar theories, Phys. Rev. D 89, 125022 (2014); , 10.1103/PhysRevD.89.125022A. Vereshagin and V. Vereshagin, Resultant parameters of effective theory, Phys. Rev. D 69, 025002 (2004); , 10.1103/PhysRevD.69.025002K. Semenov-Tian-Shansky, A. Vereshagin, and V. Vereshagin, S-matrix renormalization in effective theories, Phys. Rev. D 73, 025020 (2006), 10.1103/PhysRevD.73.025020] devoted to the systematic study of effective scattering theories. We consider matrix elements of the effective Lagrangian monomials (in the interaction picture) of arbitrary high dimension D and show that the full set of corresponding coupling constants contains parameters of both kinds: essential and redundant. Since it would be pointless to formulate renormalization prescriptions for redundant parameters, it is necessary to select the full set of the essential ones. This is done in the present paper for the case of the single scalar field.

Response to ``Comment on `Unified explanation of the anomalous dynamic properties of highly asymmetric polymer blends' '' [J. Chem. Phys. 138, 197101 (2013)

NASA Astrophysics Data System (ADS)

Ngai, K. L.; Capaccioli, S.

2013-05-01

The Comment of Colmenero asserts no change in Fs(Q,t) of the poly(ethylene oxide) (PEO) chains in blends with poly(methyl methacrylate) on crossing times of about 1-2 ns in data obtained by neutron scattering experiments and simulations. The assertion is opposite to that reported in the original papers where the neutron data and simulations were published. To make this point clear, we cite the data and the very statements made in the original papers concluding that indeed in the time interval from 60 ps to 1-2 ns the dynamics of PEO chain follows approximately the Rouse model, but becomes slower and departs from the Rouse model in the dependencies on time, momentum transfer, and temperature at longer times past tc = 1-2 ns. It is noteworthy that similar crossover of chain dynamics in entangled homopolymers at the ns time scale was found by neutron scattering.

Probing the Conformational Landscape of Polyether Building Blocks in Supersonic Jets

NASA Astrophysics Data System (ADS)

Bocklitz, Sebastian; Hewett, Daniel M.; Zwier, Timothy S.; Suhm, Martin A.

2016-06-01

Polyethylene oxides (Polyethylene glycoles) and their phenoxy-capped analogs represent a prominent class of important polymers that are highly used as precursor molecules in supramolecular reactions. After a detailed study on the simplest representative (1,2-dimethoxyethane) [1], we present results on oligoethylene oxides with increasing chain lengths obtained by spontaneous Raman scattering in a supersonic jet. Through variation of stagnation pressure, carrier gas, nozzle distance and temperature we gain information on the conformational landscape as well as the mutual interconversion of low energy conformers. The obtained results are compared to state-of-the-art quantum chemical calculations. Additionally, we present UV as well as IR-UV and UV-UV double resonance studies on 1-methoxy-2-phenoxyethane in a supersonic jet. These complementary techniques allow for conformationally selective electronic and vibrational spectra in a closely related conformational landscape. [1] S. Bocklitz, M. A. Suhm, Constraining the Conformational Landscape of a Polyether Building Block by Raman Jet Spectroscopy, Z. Phys. Chem. 2015, 229, 1625-1648.

Three perimeter effects in ferroelectric nanostructures

NASA Astrophysics Data System (ADS)

Ruediger, Andreas; Peter, Frank; Waser, Rainer

2006-03-01

As the lateral size of ferroelectric nanoislands is now well below 50 nm, the question of size effects becomes increasingly relevant. Three independent techniques provided data of pronounced ferroelectric features along the perimeter: impedance spectroscopy [1], piezoelectric force microscopy [2] and pyroelectric current sensing [3]. However, as we can show, all three observations are related to the measurement technique that interferes with the lateral confinement and still there is no direct evidence of a lateral size effect in ferroelectric nanostructures. We discuss some scenarios of further downscaling and possible consequences. [1]M.Dawber, D.J. Jung, J.F. Scott, “Perimeter effect in very small ferroelectrics“,Appl. Phys. Lett. 82, 436 (2003) [2 ]F. Peter, A. Ruediger, R. Dittmann, R. Waser, K. Szot, B. Reichenberg, K. Prume, “Analysis of shape effects on the piezoresponse in ferroelectric nanograins with and without adsorbates”, Applied Physics Letters, 87, 082901 (2005) [3] B.W. Peterson, S. Ducharme, V.M. Fridkin, “Mapping surface Polarization in thin films of the ferroelectric polymer P(VDF-TrFE)”,Ferroelectrics, 304, 51 (2004)

O'Connell's process as a vicious Brownian motion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Katori, Makoto

Vicious Brownian motion is a diffusion scaling limit of Fisher's vicious walk model, which is a system of Brownian particles in one dimension such that if two motions meet they kill each other. We consider the vicious Brownian motions conditioned never to collide with each other and call it noncolliding Brownian motion. This conditional diffusion process is equivalent to the eigenvalue process of the Hermitian-matrix-valued Brownian motion studied by Dyson [J. Math. Phys. 3, 1191 (1962)]. Recently, O'Connell [Ann. Probab. (to be published)] introduced a generalization of the noncolliding Brownian motion by using the eigenfunctions (the Whittaker functions) of themore » quantum Toda lattice in order to analyze a directed polymer model in 1 + 1 dimensions. We consider a system of one-dimensional Brownian motions with a long-ranged killing term as a generalization of the vicious Brownian motion and construct the O'Connell process as a conditional process of the killing Brownian motions to survive forever.« less

Comment on "Many-body localization in Ising models with random long-range interactions"

NASA Astrophysics Data System (ADS)

Maksymov, Andrii O.; Rahman, Noah; Kapit, Eliot; Burin, Alexander L.

2017-11-01

This Comment is dedicated to the investigation of many-body localization in a quantum Ising model with long-range power-law interactions r-α, relevant for a variety of systems ranging from electrons in Anderson insulators to spin excitations in chains of cold atoms. It has earlier been argued [arXiv:cond-mat/0611387 (2005); Phys. Rev. B 91, 094202 (2015), 10.1103/PhysRevB.91.094202] that this model obeys the dimensional constraint suggesting the delocalization of all finite-temperature states in the thermodynamic limit for α ≤2 d in a d -dimensional system. This expectation conflicts with the recent numerical studies of the specific interacting spin model of Li et al. [Phys. Rev. A 94, 063625 (2016), 10.1103/PhysRevA.94.063625]. To resolve this controversy we reexamine the model of Li et al. [Phys. Rev. A 94, 063625 (2016), 10.1103/PhysRevA.94.063625] and demonstrate that the infinite-temperature states there obey the dimensional constraint. The earlier developed scaling theory for the critical system size required for delocalization is extended to small exponents 0 ≤α ≤d . The disagreements between the two works are explained by the nonstandard selection of investigated states in the ordered phase in the work of Li et al. [Phys. Rev. A 94, 063625 (2016)10.1103/PhysRevA.94.063625].

Quantum Cosmology

NASA Astrophysics Data System (ADS)

Bojowald, Martin

The universe, ultimately, is to be described by quantum theory. Quantum aspects of all there is, including space and time, may not be significant for many purposes, but are crucial for some. And so a quantum description of cosmology is required for a complete and consistent worldview. At any rate, even if we were not directly interested in regimes where quantum cosmology plays a role, a complete physical description could not stop at a stage before the whole universe is reached. Quantum theory is essential in the microphysics of particles, atoms, molecules, solids, white dwarfs and neutron stars. Why should one expect this ladder of scales to end at a certain size? 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Structural Color Filters Enabled by a Dielectric Metasurface Incorporating Hydrogenated Amorphous Silicon Nanodisks.

PubMed

Park, Chul-Soon; Shrestha, Vivek Raj; Yue, Wenjing; Gao, Song; Lee, Sang-Shin; Kim, Eun-Soo; Choi, Duk-Yong

2017-05-31

It is advantageous to construct a dielectric metasurface in silicon due to its compatibility with cost-effective, mature processes for complementary metal-oxide-semiconductor devices. However, high-quality crystalline-silicon films are difficult to grow on foreign substrates. In this work, we propose and realize highly efficient structural color filters based on a dielectric metasurface exploiting hydrogenated amorphous silicon (a-Si:H), known to be lossy in the visible regime. The metasurface is comprised of an array of a-Si:H nanodisks embedded in a polymer, providing a homogeneously planarized surface that is crucial for practical applications. The a-Si:H nanodisk element is deemed to individually support an electric dipole (ED) and magnetic dipole (MD) resonance via Mie scattering, thereby leading to wavelength-dependent filtering characteristics. The ED and MD can be precisely identified by observing the resonant field profiles with the assistance of finite-difference time-domain simulations. The completed color filters provide a high transmission of around 90% in the off-resonance band longer than their resonant wavelengths, exhibiting vivid subtractive colors. A wide range of colors can be facilitated by tuning the resonance by adjusting the structural parameters like the period and diameter of the a-Si:H nanodisk. The proposed devices will be actively utilized to implement color displays, imaging devices, and photorealistic color printing.

Adsorption of C.I. Reactive Red 228 and Congo Red dye from aqueous solution by amino-functionalized Fe3O4 particles: kinetics, equilibrium, and thermodynamics.

PubMed

Yan, Ting-guo; Wang, Li-Juan

2014-01-01

A magnetic adsorbent was synthesized by γ-aminopropyltriethoxysilane (APTES) modification of Fe(3)O(4) particles using a two-step process. Scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDS), X-ray photoelectron spectroscopy (XPS), and vibration sample magnetometry were used to characterize the obtained magnetic adsorbent. EDS and XPS showed that APTES polymer was successfully introduced onto the as-prepared Fe(3)O(4)/APTES particle surfaces. The saturation magnetization of the magnetic adsorbent was around 65 emu g(-1), which indicated that the dye can be removed fast and efficiently from aqueous solution with an external magnetic field. The maximum adsorption capacities of Fe(3)O(4)/APTES for C.I. Reactive Red 228 (RR 228) and Congo Red (CR) were 51.4 and 118.8 mg g(-1), respectively. The adsorption of C.I. Reactive Red 228 (RR 228) and Congo Red (CR) on Fe(3)O(4)/APTES particles corresponded well to the Langmuir model and the Freundlich model, respectively. The adsorption processes for RR 228 and CR followed the pseudo-second-order model. The Boyd's film-diffusion model showed that film diffusion also played a major role in the studied adsorption processes for both dyes. Thermodynamic study indicated that both of the adsorption processes of the two dyes are spontaneous exothermic.

Log-gamma directed polymer with fixed endpoints via the replica Bethe Ansatz

NASA Astrophysics Data System (ADS)

Thiery, Thimothée; Le Doussal, Pierre

2014-10-01

We study the model of a discrete directed polymer (DP) on a square lattice with homogeneous inverse gamma distribution of site random Boltzmann weights, introduced by Seppalainen (2012 Ann. Probab. 40 19-73). The integer moments of the partition sum, \\overline{Z^n} , are studied using a transfer matrix formulation, which appears as a generalization of the Lieb-Liniger quantum mechanics of bosons to discrete time and space. In the present case of the inverse gamma distribution the model is integrable in terms of a coordinate Bethe Ansatz, as discovered by Brunet. Using the Brunet-Bethe eigenstates we obtain an exact expression for the integer moments of \\overline{Z^n} for polymers of arbitrary lengths and fixed endpoint positions. Although these moments do not exist for all integer n, we are nevertheless able to construct a generating function which reproduces all existing integer moments and which takes the form of a Fredholm determinant (FD). This suggests an analytic continuation via a Mellin-Barnes transform and we thereby propose a FD ansatz representation for the probability distribution function (PDF) of Z and its Laplace transform. In the limit of a very long DP, this ansatz yields that the distribution of the free energy converges to the Gaussian unitary ensemble (GUE) Tracy-Widom distribution up to a non-trivial average and variance that we calculate. Our asymptotic predictions coincide with a result by Borodin et al (2013 Commun. Math. Phys. 324 215-32) based on a formula obtained by Corwin et al (2011 arXiv:1110.3489) using the geometric Robinson-Schensted-Knuth (gRSK) correspondence. In addition we obtain the dependence on the endpoint position and the exact elastic coefficient at a large time. We argue the equivalence between our formula and that of Borodin et al. As we will discuss, this provides a connection between quantum integrability and tropical combinatorics.

Droplet-based microfluidics and the dynamics of emulsions

NASA Astrophysics Data System (ADS)

Baret, Jean-Christophe; Brosseau, Quentin; Semin, Benoit; Qu, Xiaopeng

2012-02-01

Emulsions are complex fluids already involved for a long time in a wide-range of industrial processes, such as, for example, food, cosmetics or materials synthesis [1]. More recently, applications of emulsions have been extended to new fields like biotechnology or biochemistry where the compartmentalization of compounds in emulsion droplets is used to parallelise (bio-) chemical reactions [2]. Interestingly, these applications pinpoint to fundamental questions dealing with surfactant dynamics, dynamic surface tension, hydrodynamic interactions and electrohydrodynamics. Droplet-based microfluidics is a very powerful tool to quantitatively study the dynamics of emulsions at the single droplet level or even at the single interface level: well-controlled emulsions are produced and manipulated using hydrodynamics, electrical forces, optical actuation and combination of these effects. We will describe here how droplet-based microfluidics is used to extract quantitative informations on the physical-chemistry of emulsions for a better understanding and control of the dynamics of these systems [3].[4pt] [1] J. Bibette et al. Rep. Prog. Phys., 62, 969-1033 (1999)[0pt] [2] A. Theberge et al., Angewandte Chemie Int. Ed. 49, 5846 (2010)[0pt] [3] J.-C. Baret et al., Langmuir, 25, 6088 (2009)

X-Ray Astronomy Discovery Experiments, III*

NASA Astrophysics Data System (ADS)

Fisher, P. C.

2011-04-01

The first paper established the existence of concurrent discovery experiments by Riccardo Giacconi and myself at the start of x-ray astronomy.footnotetextR. Giacconi et al., Phys. Rev. Lett. 9, 439 (1962).^,footnotetextP. C. Fisher et al., Quasars and High Energy Astronomy including Proceedings of the 2^nd Texas Symposium on Relativistic Astrophysics 15 - 19 December 1964 (K. N. Douglas et. al., eds.) Gordon and Breach Science Publishers, New York, p. 253 (1969).^,footnotetextP. C. Fisher, BAPS 53 No. 2, 165 (2008). Paper II footnotetextP.C. Fisher, http://www.aps.org/units/fhp/index.cfm plus FHP link to April 2009 presentation H14.00006. described some acts by some individuals/institutions over four decades that may have caused the illusion that I had not made a discovery. Some additional data about this illusion, and the first possible measurement of x-ray emission from a black hole, will be presented. This paper's primary goal is for the American Physical Society to have Giacconi comment on several questions of a historical nature. [4pt] *Work supported by NASA contracts NAS5-1174 and NASw-909, the Lockheed Independent Research Program, and Ruffner Associates.

Compressional Alfven Eigenmode Similarity Study

NASA Astrophysics Data System (ADS)

Heidbrink, W. W.; Fredrickson, E. D.; Gorelenkov, N. N.; Rhodes, T. L.

2004-11-01

NSTX and DIII-D are nearly ideal for Alfven eigenmode (AE) similarity experiments, having similar neutral beams, fast-ion to Alfven speed v_f/v_A, fast-ion pressure, and shape of the plasma, but with a factor of 2 difference in the major radius. Toroidicity-induced AE with ˜100 kHz frequencies were compared in an earlier study [1]; this paper focuses on higher frequency AE with f ˜ 1 MHz. Compressional AE (CAE) on NSTX have a polarization, dependence on the fast-ion distribution function, frequency scaling, and low-frequency limit that are qualitatively consistent with CAE theory [2]. Global AE (GAE) are also observed. On DIII-D, coherent modes in this frequency range are observed during low-field (0.6 T) similarity experiments. Experiments will compare the CAE stability limits on DIII-D with the NSTX stability limits, with the aim of determining if CAE will be excited by alphas in a reactor. Predicted differences in the frequency splitting Δ f between excited modes will also be used. \\vspace0.25em [1] W.W. Heidbrink, et al., Plasmas Phys. Control. Fusion 45, 983 (2003). [2] E.D. Fredrickson, et al., Princeton Plasma Physics Laboratory Report PPPL-3955 (2004).

The defective nature of ice Ic and its implications for atmospheric science

NASA Astrophysics Data System (ADS)

Kuhs, W. F.; Hansen, T. C.

2009-04-01

The possible atmospheric implication of ice Ic (cubic ice) has already been suggested some time ago in the context of snow crystal formation [1]. New findings from air-borne measurements in cirrus clouds and contrails have put ice Ic into the focus of interest to understand the so-called "supersaturation puzzle" [2,3,4,5]. Our recent microstructural work on ice Ic [6,7] appears to be highly relevant in this context. We have found that ice Ic is characterized by a complex stacking fault pattern, which changes as a function of temperature as well as time. Indeed, from our own [8] and other group's work [9] one knows that (in contrast to earlier believe) ice Ic can form up to temperatures at least as high as 240K - thus in the relevant range for cirrus clouds. We have good preliminary evidence that the "cubicity" (which can be related to stacking fault probabilities) as well as the particle size of ice Ic are the relevant parameters for this correlation. The "cubicity" of stacking faulty ice Ic (established by diffraction) correlates nicely with the increased supersaturation at decreasing temperatures observed in cirrus clouds and contrails, a fact, which may be considered as further evidence for the presence of ice Ic. Moreover, the stacking faults lead to kinks in the outer shapes of the minute ice Ic crystals as seen by cryo scanning electron microscopy (cryo-SEM); these defective sites are likely to play some role in heterogeneous reactions in the atmosphere. The cryo-SEM work suggests that stacking-faulty ice Ic has many more active centres for such reactions than the usually considered thermodynamically stable form, ice Ih. [1] T Kobayashi & T Kuroda (1987) Snow Crystals. In: Morphology of Crystals (ed. I Sunagawa), Terra Scientific Publishing, Tokyo, pp.649-743. [2] DM Murphy (2003) Dehydration in cold clouds is enhanced by a transition from from cubic to hexagonal ice. Geophys.Res.Lett.,30, 2230, doi:10.1029/2003GL018566. [3] RS Gao & 19 other authors (2004) Evidence that nitric acid increases relative humidity in low-temperature cirrus clouds. Science 303, 516-520. [4] T Peter, C Marcolli, P Spaichinger, T Corti, MC Baker & T Koop (2006) When dry air is too humid. Science 314, 1399-1402. [5] JE Shilling, MA Tolbert, OB Toon, EJ Jensen, BJ Murray & AK Bertram (2006) Measurements of the vapor pressure of cubic ice and their implications for atmospheric ice clouds. Geophys.Res.Lett. 33, 026671. [6] TC Hansen, MM Koza & WF Kuhs (2008) Formation and annealing of cubic ice: I Modelling of stacking faults. J.Phys.Cond.Matt. 20, 285104. [7] TC Hansen, MM Koza, P Lindner & WF Kuhs (2008) Formation and annealing of cubic ice: II. Kinetic study. J.Phys.Cond.Matt. 20, 285105. [8] WF Kuhs, G Genov, DK Staykova & AN Salamatin (2004) Ice perfection and the onset of anomalous preservation of gas hydrates. Phys.Chem.Chem.Phys. 6, 4917-4920. [9] BJ Murray, DA Knopf & AK Bertram (2005) The formation of cubic ice under conditions relevant to Earth's atmosphere. Nature 434, 292-205.

Direct Methanol Fuel Cell Battery Replacement Program

DTIC Science & Technology

2011-04-11

Matthey PtRu in operating direct methanol fuel cells” Phys. Chem. Chem. Phys., 10, 6430-6437 (2008) 2. Harry Rivera, Jamie S. Lawton , David E. Budil and...Phys. Chem. B, 112, (29) 8542-8548 (2008) 3. Jamie S. Lawton , Eugene S. Smotkin and David E. Budil, “ESR Investigation of Microviscosity, Microscopic

Reactive Removal of BiF Ground State

DTIC Science & Technology

1990-09-28

1978). 3. W E. Jones and T D. McLean, J. Mol. Spectrosc. 90, 481 (1981). 4. R. E Heidner, H . Helvajian , J. S. Holloway, and J. B. Koffend, J. Chem...Phys. 84, 2137 (1986). 5. C. R. Jones and H . P. Broida, J. Chem. Phys. 60, 4369 (1974). 6. H . Helvajian , J. S. Holloway, and J. B. Koffend, J. Chem...Phys. Rev. A6, 631 (1972). 27. H . Hotop and W C. Lineberger, J. Phys. Chem. Ref. Data 4, 539 (1985). 28. J.M. Herbelin, Conf. Proc., Intl. Gonf. on

Heats of Vaporization of Room Temperature Ionic Liquids by Tunable Vacuum Ultraviolet Photoionization

DTIC Science & Technology

2009-12-07

18) Emel’yanenko, V. N.; Verevkin, S. P.; Heintz, A.; Corfield, J.-A.; deyko, A.; Lovelock , K. R. J.; Licence, P.; Jones, R. G. J. Phys. Chem. B 2008...112, 11734. (19) Armstrong, J. P.; Hurst, C.; Jones, R. G.; Licence, P.; Lovelock , K. R. J.; Satterly, C. J.; Villar-Garcia, I. J. Phys. Chem. Chem...Phys. 2007, 9, 982. (20) Lovelock , K. R. J.; Deyko, A.; Corfield, J.-A.; Gooden, P. N.; Licence, P.; Jones, R. G. ChemPhysChem 2009, 10, 337. (21

Electrostatic Plugging of Multidipole Cusps.

DTIC Science & Technology

1982-05-01

8217, -) V0 100 I-’ 60 00 0> :oc 0 \\0H U 0 0- 0- -L 0 0- P4 A- 602- 179 MASS SPECTROMETER CIRCUIT CHME P OGA- SWOT Figue 1. Shemaic f eteralXly...2R. L. Hirsch, J. Appl . Phys. 38, 4522 (1967). 3N. Hershkowitz K. N. Leung, and T. Romesser, Phys. Rev. Lett. 5. 277 (1975 1. 4A. Kitsunezaki, M...R. T. Carpenter, submitted to J. Appl . Phys. 1OD. Rapp and P. Englander-Golden, J. Chem. Phys. 3, 1464 (1965). "A. Lang and N. Hershkowitz, J. Appl

Upper bound on three-tangles of reduced states of four-qubit pure states

NASA Astrophysics Data System (ADS)

Sharma, S. Shelly; Sharma, N. K.

2017-06-01

Closed formulas for upper bounds on three-tangles of three-qubit reduced states in terms of three-qubit-invariant polynomials of pure four-qubit states are obtained. Our results offer tighter constraints on total three-way entanglement of a given qubit with the rest of the system than those used by Regula et al. [Phys. Rev. Lett. 113, 110501 (2014), 10.1103/PhysRevLett.113.110501 and Phys. Rev. Lett. 116, 049902(E) (2016)], 10.1103/PhysRevLett.116.049902 to verify monogamy of four-qubit quantum entanglement.

B80 and B101-103 clusters: Remarkable stability of the core-shell structures established by validated density functionalsa)

NASA Astrophysics Data System (ADS)

Li, Fengyu; Jin, Peng; Jiang, De-en; Wang, Lu; Zhang, Shengbai B.; Zhao, Jijun; Chen, Zhongfang

2012-02-01

Prompted by the very recent claim that the volleyball-shaped B80 fullerene [X. Wang, Phys. Rev. B 82, 153409 (2010), 10.1103/PhysRevB.82.153409] is lower in energy than the B80 buckyball [N. G. Szwacki, A. Sadrzadeh, and B. I. Yakobson, Phys. Rev. Lett. 98, 166804 (2007), 10.1103/PhysRevLett.98.166804] and core-shell structure [J. Zhao, L. Wang, F. Li, and Z. Chen, J. Phys. Chem. A 114, 9969 (2010), 10.1021/jp1018873], and inspired by the most recent finding of another core-shell isomer as the lowest energy B80 isomer [S. De, A. Willand, M. Amsler, P. Pochet, L. Genovese, and S. Goedecher, Phys. Rev. Lett. 106, 225502 (2011), 10.1103/PhysRevLett.106.225502], we carefully evaluated the performance of the density functional methods in the energetics of boron clusters and confirmed that the core-shell construction (stuffed fullerene) is thermodynamically the most favorable structural pattern for B80. Our global minimum search showed that both B101 and B103 also prefer a core-shell structure and that B103 can reach the complete core-shell configuration. We called for great attention to the theoretical community when using density functionals to investigate boron-related nanomaterials.

Binding energy of e^+Li using the Peach model potential.

NASA Astrophysics Data System (ADS)

Shertzer, Janine; Ward, Sandra

2006-05-01

The l-independent, parametric model potential developed by Peach^1 for describing the electron interaction with the alkali ion core yields energy levels that are in excellent agreement with experiment. Because of its relative simplicity, this model potential is an attractive choice for studying e^+- Li collisions;^2,3 the e^+-ion core interaction is obtained by changing the sign of the static term in the interaction. In order to test the usefulness of the potential for describing the physics of an effective three-body system, we calculated the binding energy of e^+Li. This is a stringent test, because the system is very weakly bound. Our results are in excellent agreement with previous calculations,^4 including those using the exact four-body Hamiltonian.^5 This work was funded by NSF under collaborative Grant PHYS-0440714 (JS) and PHYS-0440565 (SJW). ^1G. Peach, H.E. Saraph and M.J. Seaton, J. Phys. B 21, 3669 (1988). ^2M.S.T. Watts and J.W. Humberston, J. Phys. B 25, L491 (1992). ^3S. J. Ward and J. Shertzer, Phys. Rev. A 68, 032720 (2003). ^4J. Mitroy, M.W.J. Bromley, and G.G. Ryzhikh, J. Phys. B 35, R81 (2002). ^5Massimo Mella, Gabriele Morosi, and Dario Bressanini, J. Chem. Phys. 111, 108 (1999).

Adaptive clustering procedure for continuous gravitational wave searches

NASA Astrophysics Data System (ADS)

Singh, Avneet; Papa, Maria Alessandra; Eggenstein, Heinz-Bernd; Walsh, Sinéad

2017-10-01

In hierarchical searches for continuous gravitational waves, clustering of candidates is an important post-processing step because it reduces the number of noise candidates that are followed up at successive stages [J. Aasi et al., Phys. Rev. Lett. 88, 102002 (2013), 10.1103/PhysRevD.88.102002; B. Behnke, M. A. Papa, and R. Prix, Phys. Rev. D 91, 064007 (2015), 10.1103/PhysRevD.91.064007; M. A. Papa et al., Phys. Rev. D 94, 122006 (2016), 10.1103/PhysRevD.94.122006]. Previous clustering procedures bundled together nearby candidates ascribing them to the same root cause (be it a signal or a disturbance), based on a predefined cluster volume. In this paper, we present a procedure that adapts the cluster volume to the data itself and checks for consistency of such volume with what is expected from a signal. This significantly improves the noise rejection capabilities at fixed detection threshold, and at fixed computing resources for the follow-up stages, this results in an overall more sensitive search. This new procedure was employed in the first Einstein@Home search on data from the first science run of the advanced LIGO detectors (O1) [LIGO Scientific Collaboration and Virgo Collaboration, arXiv:1707.02669 [Phys. Rev. D (to be published)

Study of Various Types of Resonances within the Phonon Damping Model

NASA Astrophysics Data System (ADS)

Dang, Nguyen Dinh

2001-10-01

The main successes of the Phonon Damping Model (PDM)(N. Dinh Dang and A. Arima, Phys. Rev. Lett. 80), 4145 (1998); Nucl. Phys. A 636, 427 (1998); N. Dinh Dang, K. Tanabe, and A. Arima, Phys. Rev. C 58, 3374 (1998). are presented in the description of: 1) the giant dipole resonance (GDR) in highly excited nuclei, 2) the double giant dipole resonance (DGDR) and multiple phonon resonances, 3) the Gamow-Teller resonance (GTR), and 4) the damping of pygmy dipole resonance (PDR) in neutron-rich nuclei. The analyses of results of numerical calculations are discussed in comparison with the experimental systematics on i) the width and the shape of the GDR at finite temperature ^1,(N. Dinh Dang et al., Phys. Rev. C 61), 027302 (2000). and angular momentum(N. Dinh Dang, Nucl. Phys. A 687), 261c (2001). for tin isotopes , ii) the electromagnetic cross sections of DGDR for ^136Xe and ^208Pb on a lead target at relativistic energies(N. Dinh Dang, V. Kim Au, and A. Arima, Phys. Rev. Lett. 85), 1827 (2000)., iii) the strength function of GTR(N. Dinh Dang, T. Suzuki, and A. Arima, Preprint RIKEN-AF-NF 377 (2000), submitted.), and iv) the PDR in oxygen and calcium isotopes(N. Dinh Dang et al., Phys. Rev. C 63), 044302 (2001)..

Precision measurements with atom interferometry

NASA Astrophysics Data System (ADS)

Schubert, Christian; Abend, Sven; Schlippert, Dennis; Ertmer, Wolfgang; Rasel, Ernst M.

2017-04-01

Interferometry with matter waves enables precise measurements of rotations, accelerations, and differential accelerations [1-5]. This is exploited for determining fundamental constants [2], in fundamental science as e.g. testing the universality of free fall [3], and is applied for gravimetry [4], and gravity gradiometry [2,5]. At the Institut für Quantenoptik in Hannover, different approaches are pursued. A large scale device is designed and currently being set up to investigate the gain in precision for gravimetry, gradiometry, and fundamental tests on large baselines [6]. For field applications, a compact and transportable device is being developed. Its key feature is an atom chip source providing a collimated high flux of atoms which is expected to mitigate systematic uncertainties [7,8]. The atom chip technology and miniaturization benefits from microgravity experiments in the drop tower in Bremen and sounding rocket experiments [8,9] which act as pathfinders for space borne operation [10]. This contribution will report about our recent results. The presented work is supported by the CRC 1227 DQ-mat, the CRC 1128 geo-Q, the RTG 1729, the QUEST-LFS, and by the German Space Agency (DLR) with funds provided by the Federal Ministry of Economic Affairs and Energy (BMWi) due to an enactment of the German Bundestag under Grant No. DLR 50WM1552-1557. [1] P. Berg et al., Phys. Rev. Lett., 114, 063002, 2015; I. Dutta et al., Phys. Rev. Lett., 116, 183003, 2016. [2] J. B. Fixler et al., Science 315, 74 (2007); G. Rosi et al., Nature 510, 518, 2014. [3] D. Schlippert et al., Phys. Rev. Lett., 112, 203002, 2014. [4] A. Peters et al., Nature 400, 849, 1999; A. Louchet-Chauvet et al., New J. Phys. 13, 065026, 2011; C. Freier et al., J. of Phys.: Conf. Series 723, 012050, 2016. [5] J. M. McGuirk et al., Phys. Rev. A 65, 033608, 2002; P. Asenbaum et al., arXiv:1610.03832. [6] J. Hartwig et al., New J. Phys. 17, 035011, 2015. [7] H. Ahlers et al., Phys. Rev. Lett. 116, 173601, 2016; S. Abend et al., Phys. Rev. Lett. 117, 203003, 2016. [8] J. Rudolph et al., New J. Phys. 17, 065001, 2015. [9] H. Müntinga et al., Phys. Rev. Lett., 110, 093602, 2013. [10] O. Carraz et al., Microgravity Sci. Technol. 26, 139, 2014; D. Aguilera et al., Class. Quantum Grav. 31, 115010, 2014.

Dirac Magnons in Honeycomb Ferromagnets

NASA Astrophysics Data System (ADS)

Pershoguba, Sergey S.; Banerjee, Saikat; Lashley, J. C.; Park, Jihwey; Ågren, Hans; Aeppli, Gabriel; Balatsky, Alexander V.

2018-01-01

The discovery of the Dirac electron dispersion in graphene [A. H. Castro Neto, et al., The Electronic Properties of Graphene, Rev. Mod. Phys. 81, 109 (2009), 10.1103/RevModPhys.81.109] led to the question of the Dirac cone stability with respect to interactions. Coulomb interactions between electrons were shown to induce a logarithmic renormalization of the Dirac dispersion. With a rapid expansion of the list of compounds and quasiparticle bands with linear band touching [T. O. Wehling, et al., Dirac Materials, Adv. Phys. 63, 1 (2014), 10.1080/00018732.2014.927109], the concept of bosonic Dirac materials has emerged. We consider a specific case of ferromagnets consisting of van der Waals-bonded stacks of honeycomb layers, e.g., chromium trihalides CrX3 (X =F , Cl, Br and I), that display two spin wave modes with energy dispersion similar to that for the electrons in graphene. At the single-particle level, these materials resemble their fermionic counterparts. However, how different particle statistics and interactions affect the stability of Dirac cones has yet to be determined. To address the role of interacting Dirac magnons, we expand the theory of ferromagnets beyond the standard Dyson theory [F. J. Dyson, General Theory of Spin-Wave Interactions, Phys. Rev. 102, 1217 (1956), 10.1103/PhysRev.102.1217, F. J. Dyson, Thermodynamic Behavior of an Ideal Ferromagnet, Phys. Rev. 102, 1230 (1956), 10.1103/PhysRev.102.1230] to the case of non-Bravais honeycomb layers. We demonstrate that magnon-magnon interactions lead to a significant momentum-dependent renormalization of the bare band structure in addition to strongly momentum-dependent magnon lifetimes. We show that our theory qualitatively accounts for hitherto unexplained anomalies in nearly half-century-old magnetic neutron-scattering data for CrBr3 [W. B. Yelon and R. Silberglitt, Renormalization of Large-Wave-Vector Magnons in Ferromagnetic CrBr3 Studied by Inelastic Neutron Scattering: Spin-Wave Correlation Effects, Phys. Rev. B 4, 2280 (1971), 10.1103/PhysRevB.4.2280, E. J. Samuelsen, et al., Spin Waves in Ferromagnetic CrBr3 Studied by Inelastic Neutron Scattering, Phys. Rev. B 3, 157 (1971), 10.1103/PhysRevB.3.157]. We also show that honeycomb ferromagnets display dispersive surface and edge states, unlike their electronic analogs.

Rovibrational Quantum Dynamics of the Methane-Water Dimer

NASA Astrophysics Data System (ADS)

Sarka, János; Császár, Attila; Mátyus, Edit

2017-06-01

The challenging quantum dynamical description of the CH_4.H_2O complex has been solved variationally to provide theoretical explanation and assignment to the high-resolution spectroscopic measurements of the methane-water dimer carried out some twenty years ago. The computational results are in excellent agreement with the reported experimental transitions and the experimentally observed reversed rovibrational sequences, i.e., formally negative rotational excitation energies, are also obtained in the computations. In order to better understand the origin of these peculiar features in the energy-level spectrum, we studied all four possible combinations of the light and heavy isotopologues of methane and water and analyzed their rovibrational states using two limiting model systems: the rigidly rotating (RR) molecule and the coupled rotor (CR) system corresponding to the coupling of the two rotating monomers. All rovibrational quantum dynamical computations^{a,c} were carried out with rigid monomers and J = 0,1,2 total angular momentum quantum numbers using the fourth-age quantum chemical code GENIUSH and two different methane-water potential energy surfaces (PES). The numerical and formal analysis of the wave functions give insight into a fascinating complex world worth for further theoretical and experimental inquiries. J. Sarka, A. G. Császár, S. C. Althorpe, D. J. Wales and E. Mátyus, Phys. Chem. Chem. Phys. 18, 22816 (2016). L. Dore, R. C. Cohen, C. A. Schmuttenmaer, K. L. Busarow, M. J. Elrod, J. G. Loeser and R. J. Saykally, J. Chem. Phys. 100, 863 (1994). J. Sarka, A. G. Császár and E. Mátyus, Phys. Chem. Chem. Phys. accepted for publication (2017).} E. Mátyus, G. Czakó and A. G. Császár, J. Chem. Phys. 130, 134112 (2009). C. Fábri, E. Mátyus and A. G. Császár, J. Chem. Phys. 134, 074105 (2011). O. Akin-Ojo and K. Szalewicz, J. Chem. Phys. 123, 134311 (2005). C. Qu, R. Conte, P. L. Houston and J. M. Bowman, Phys. Chem. Chem. Phys. 17, 8172 (2015).

BrainPhys® increases neurofilament levels in CNS cultures, and facilitates investigation of axonal damage after a mechanical stretch-injury in vitro.

PubMed

Jackson, Travis C; Kotermanski, Shawn E; Jackson, Edwin K; Kochanek, Patrick M

2018-02-01

Neurobasal®/B27 is a gold standard culture media used to study primary neurons in vitro. An alternative media (BrainPhys®/SM1) was recently developed which robustly enhances neuronal activity vs. Neurobasal® or DMEM. To the best of our knowledge BrainPhys® has not been explored in the setting of neuronal injury. Here we characterized the utility of BrainPhys® in a model of in vitro mechanical-stretch injury. Primary rat cortical neurons were maintained in classic Neurobasal®, or sequentially maintained in Neurocult® followed by BrainPhys® (hereafter simply referred to as "BrainPhys® maintained neurons"). The levels of axonal markers and proteins involved in neurotransmission were compared on day in vitro 10 (DIV10). BrainPhys® maintained neurons had higher levels of GluN2B, GluR1, Neurofilament light/heavy chain (NF-L & NF-H), and protein phosphatase 2 A (PP2A) vs. neurons in Neurobasal®. Mechanical stretch-injury (50ms/54% biaxial stretch) to BrainPhys® maintained neurons modestly (albeit significantly) increased 24h lactate dehydrogenase (LDH) levels but markedly decreased axonal NF-L levels post-injury vs. uninjured controls or neurons given a milder 38% stretch-injury. Furthermore, two 54% stretch-injuries (in tandem) exacerbated 24h LDH release, increased α-spectrin breakdown products (SBDPs), and decreased Tau levels. Also, BrainPhys® maintained cultures had decreased markers of cell damage 24h after a single 54% stretch-injury vs. neurons in Neurobasal®. Finally, we tested the hypothesis that lentivirus mediated overexpression of the pro-death protein RBM5 exacerbates neuronal and/or axonal injury in primary CNS cultures. RBM5 overexpression vs. empty-vector controls increased 24h LDH release, and SBDP levels, after a single 54% stretch-injury but did not affect NF-L levels or Tau. BrainPhys® is a promising new reagent which facilities the investigation of molecular targets involved in axonal and/or neuronal injury in vitro. Copyright © 2017 The Authors. Published by Elsevier Inc. All rights reserved.

Oscillator-field model of moving mirrors in quantum optomechanics

NASA Astrophysics Data System (ADS)

Galley, Chad R.; Behunin, Ryan O.; Hu, B. L.

2013-04-01

We present a microphysics model for the kinematics and dynamics of optomechanics describing the coupling between an optical field, modeled here by a massless scalar field, and the internal and mechanical degrees of freedom of a movable mirror. Instead of implementing boundary conditions on the field, we introduce an internal degree of freedom and its dynamics to describe the mirror's reflectivity. Depending on parameter values, the internal degrees of freedom of the mirror in this model capture a range of its optical activities, from those exhibiting broadband reflective properties to those reflecting only in a narrow band. After establishing the model we show how appropriate parameter choices lead to other well-known optomechanical models, including those of Barton and Calogeracos [Ann. Phys. (NY)0003-491610.1006/aphy.1995.1021 238, 227 (1995)], Calogeracos and Barton, Ann. Phys. (NY)10.1006/aphy.1995.1022 238, 268 (1995), Law [Phys. Rev. APLRAAN1050-294710.1103/PhysRevA.51.2537 51, 2537 (1995)], and Golestanian and Kardar [Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.78.3421 78, 3421 (1997); Phys. Rev. APLRAAN1050-294710.1103/PhysRevA.58.1713 58, 1713 (1998)]. As a simple illustrative application we derive classical radiation pressure cooling from this model. We then connect our microphysics model to the common descriptions of a moving mirror coupled to radiation pressure (e.g., with Nx coupling, where N is the photon number and x is the mirror displacement), making explicit the underlying assumptions made in these phenomenological models. Our model is also applicable to the lesser explored case of small N, which existing models based on sideband approximations [Kimble , Phys. Rev. DPRVDAQ1550-799810.1103/PhysRevD.65.022002 65, 022002 (2001)] have not addressed. Interestingly, we also find that slow-moving mirrors in our model can be described by the ubiquitous Brownian motion model of quantum open systems. The scope of applications of this model ranges from a full quantum-mechanical treatment of radiation pressure cooling and quantum entanglement between macroscopic mirrors to the back reaction of Hawking radiation on black-hole evaporation in a moving mirror analog.

Modification of the mean near-wall velocity profile of a high-Reynolds number turbulent boundary layer with the injection of drag-reducing polymer solutions

NASA Astrophysics Data System (ADS)

Elbing, Brian R.; Perlin, Marc; Dowling, David R.; Ceccio, Steven L.

2013-08-01

The current study explores the influence of polymer drag reduction on the near-wall velocity distribution in a turbulent boundary layer (TBL) and its dependence on Reynolds number. Recent moderate Reynolds number direct numerical simulation and experimental studies presented in White et al. [Phys. Fluids 24, 021701 (2012)], 10.1063/1.3681862 have challenged the classical representation of the logarithmic dependence of the velocity profile for drag-reduced flows, especially at drag reduction levels above 40%. In the present study, high Reynolds number data from a drag reduced TBL is presented and compared to the observations of White et al. [Phys. Fluids 24, 021701 (2012)], 10.1063/1.3681862. Data presented here were acquired in the TBL flow on a 12.9-m-long flat plate at speeds to 20.3 m s-1, achieving momentum thickness based Reynolds number to 1.5 × 105, which is an order of magnitude greater than that available in the literature. Polyethylene oxide solutions with an average molecular weight of 3.9 × 106 g mol-1 were injected into the flow at various concentrations and volumetric fluxes to achieve a particular level of drag reduction. The resulting mean near-wall velocity profiles show distinctly different behavior depending on whether they fall in the low drag reduction (LDR) or the high drag reduction (HDR) regimes, which are nominally divided at 40% drag reduction. In the LDR regime, the classical view that the logarithmic slope remains constant at the Newtonian value and the intercept constant increases with increasing drag reduction appears to be valid. However, in the HDR regime the behavior is no longer universal. The intercept constant continues to increase linearly in proportion to the drag reduction level until a Reynolds-number-dependent threshold is achieved, at which point the intercept constant rapidly decreases to that predicted by the ultimate profile. The rapid decrease in the intercept constant is due to the corresponding increase in the profile slope in the HDR regime. There was significant scatter in the observed slope in the HDR regime, but the scatter did not appear to be Reynolds number dependent. Finally, the ultimate profiles for flows at maximum drag reduction were examined and did not exhibit a logarithmic functional relationship, which is the classical empirical relationship suggested by Virk [J. Am. Inst. Chem. Eng. 21, 625-656 (1975)], 10.1002/aic.690210402.

Unified Theory of Plasma Correlations.

DTIC Science & Technology

1983-06-13

or more generally, the Balescu -Lenard Equation. 2 6 -3 3 An essential element of these studies is that the correlation functions are assumed to be... Balescu , Phys. Fluids 3, 52 (1960). 27. A. Lenard, Ann. Phys. (N.Y.) 3, 390 (1960). 28. R. L. Liboff and A. H. Merchant, J. Math. Phys. 14, 119 (1973

Mapping Nanoscale Absorption of Femtosecond Laser Pulses Using Plasma Explosion Imaging

DTIC Science & Technology

2014-08-06

Libby, S. B.; et al. Observation and Control of Shock Waves in Indivi- dual Nanoplasmas . Phys. Rev. Lett. 2014, 112, 115004. 17. Zhang, X.; Smith, K. a...Laser Light. Phys. Plasmas 2005, 12, 056703. 24. Lezius, M.; Dobosz, S. Hot Nanoplasmas from Intense Laser Irradiation of Argon Clusters. J. Phys. B

Asymptotics of the monomer-dimer model on two-dimensional semi-infinite lattices

NASA Astrophysics Data System (ADS)

Kong, Yong

2007-05-01

By using the asymptotic theory of Pemantle and Wilson [R. Pemantle and M. C. Wilson, J. Comb. Theory, Ser. AJCBTA70097-316510.1006/jcta.2001.3201 97, 129 (2002)], asymptotic expansions of the free energy of the monomer-dimer model on two-dimensional semi-infinite ∞×n lattices in terms of dimer density are obtained for small values of n , at both high- and low-dimer-density limits. In the high-dimer-density limit, the theoretical results confirm the dependence of the free energy on the parity of n , a result obtained previously by computational methods by Y. Kong [Y. Kong, Phys. Rev. EPLEEE81063-651X10.1103/PhysRevE.74.061102 74, 061102 (2006); Phys. Rev. EPLEEE81063-651X10.1103/PhysRevE.73.016106 73, 016106 (2006);Phys. Rev. EPLEEE81063-651X10.1103/PhysRevE.74.011102 74, 011102 (2006)]. In the low-dimer-density limit, the free energy on a cylinder ∞×n lattice strip has exactly the same first n terms in the series expansion as that of an infinite ∞×∞ lattice.

Three-Level Systems as Amplifiers and Attenuators: A Thermodynamic Analysis

NASA Astrophysics Data System (ADS)

Boukobza, E.; Tannor, D. J.

2007-06-01

Thermodynamics of a three-level maser was studied in the pioneering work of Scovil Schulz-DuBois [Phys. Rev. Lett. 2, 262 (1959)PRLTAO0031-900710.1103/PhysRevLett.2.262]. In this Letter we consider the same three-level model, but we give a full thermodynamic analysis based on Hamiltonian and dissipative Lindblad superoperators. The first law of thermodynamics is obtained using a recently developed alternative [Phys. Rev. A 74, 063823 (2006)PLRAAN1050-294710.1103/PhysRevA.74.063823] to Alicki’s definitions for heat flux and power [J. Phys. AJPHAC50305-4470 12, L103 (1979)10.1088/0305-4470/12/5/007]. Using a novel variation on Spohn’s entropy production function [J. Math. Phys. (N.Y.)JMAPAQ0022-2488 19, 1227 (1978)10.1063/1.523789], we obtain Carnot’s efficiency inequality and the Scovil Schulz-DuBois maser efficiency formula when the three-level system is operated as a heat engine (amplifier). Finally, we show that the three-level system has two other modes of operation—a refrigerator mode and a squanderer mode —both of which attenuate the electric field.

A Physical Model of Cosmogenic Nuclide Production in Stony and Iron Meteoroids on the Basis of Simulation Experiments

NASA Astrophysics Data System (ADS)

Leya, I.; Lange, H.-J.; Michel, R.; Meltzow, B.; Herpers, U.; Busemann, H.; Wieler, R.; Dittrich-Hannen, B.; Suter, M.; Kubik, P. W.

1995-09-01

By extending and improving earlier model calculations [1-4] of cosmogenic nuclide production by GCR particles in extraterrestrial matter, we can now present a physical model without free parameters for a consistent description of GCR production rates in stony and iron meteoroids. The model takes explicitely into account p and n-induced reactions. GCR 4He particles are considered only approximately. It is based on depth-size and bulk-chemistry-dependent spectra of primary and secondary protons and of secondary neutrons calculated by HET and MORSE codes within the HERMES code system [5] and on the cross sections of the underlying reactions. Comprehensive and reliable sets of proton cross sections from thresholds up to 2.6 GeV exist now for many cosmogenic nuclides (see [6] for a review). For n-induced reactions the situation is not so good. Only a few data at low energies and practically no data at higher energies exist. GCR production of cosmogenic nuclides in stony meteoroids is already dominated by neutron-induced reactions for most meteoroid radii. In iron meteoroids neutrons are even more important because of the high mass numbers of the bulk and of consequently higher multiplicities for production of secondary neutrons. In order to overcome this problem, the necessary excitation functions of neutron-induced reactions were determined from experimental thick-target production rates by least-squares unfolding procedures using the code STAYS'L [7]. The data were produced in laboratory experiments under completely controlled conditions [8-11]. The unfolding procedure starts from guess functions (from threshold up to 900 MeV) based on all available experimental neutron cross sections and on theoretical ones calculated by the AREL [12] code which is a relativistic version of the hybrid model of pre-equilibrium reactions [13]. With the new neutron cross sections it is possible to describe simultanously all data from the simulation experiments with an accuracy of better than 10 % and to calculate consistent cosmogenic nuclide production rates in stony and iron meteoroids. The new model calculations are so far valid for 10Be, 26Al, 36Cl, 41Ca, 53Mn as well as He, Ne and Ar isotopes. The new theoretical production rates are compared with measured depth profiles in stony and iron meteorites and will be discussed with respect to primary GCR spectra and preatmospheric radii and exposure histories of stony and iron meteoroids. Acknowledgement: This work was partially supported by the Deutsche Forschungsgemeinschaft and the Swiss National Science Foundation. References: [1] Michel R. et al. (1991) Meteoritics, 26, 221-242. [2] Michel R. et al. (1995) Planet. Space Sci., in press. [3] Bhandari N. et al. (1993) GCA, 57, 2361-2375. [4] Herpers U. et al. (1995) Planet. Space Sci., in press. [5] Cloth P. et al. (1988) JUEL-2203. [6] Michel R. (1994) in Nuclear Data for Science and Technology (J. K. Dickens, ed.), 337-343, Am. Nucl. Soc., La Grange Park. [7] Perrey F. G. (1977) Code STAYS'L, NEA Data Bank, OECD Paris. [8] Michel R. et al. (1986) Nucl. Instr. Meth. Phys. Res., B16, 61-82. [9] Michel R. et al. (1989) Nucl. Instr. Meth. Phys. Res., B42, 76-100. [10] Michel R. et al. (1993) J. Radioanal. Nucl. Chem., 169, 13-25. [11] Michel R. et al. (1994) in Nuclear Data for Science and Technology (J. K. Dickens, ed.), 377-379, Am. Nucl. Soc., La Grange Park. [12] Blann M. (1994) Code AREL, personal communication to R. Michel. [13] Blann M. (1972) Phys. Rev. Lett., 27, 337-340.

EDITORIAL: Annual prizes for best papers

NASA Astrophysics Data System (ADS)

2006-09-01

2005 Roberts Prize The publishers of Physics in Medicine and Biology (PMB) in association with the Institute of Physics and Engineering in Medicine (IPEM) jointly award an annual prize for an article published in PMB during the previous year. The following 14 articles, listed below in chronological order, were rated the best of 2005 based on the (two or three) referees' assessments: P Kundrát et al 2005 Probabilistic two-stage model of cell inactivation by ionizing particles Phys. Med. Biol. 50 1433-47 D Arora et al 2005 Direct thermal dose control of constrained focused ultrasound treatments: phantom and in vivo evaluation Phys. Med. Biol. 50 1919-35 J S Dysart et al 2005 Characterization of Photofrin photobleaching for singlet oxygen dose estimation during photodynamic therapy of MLL cells in vitro Phys. Med. Biol. 50 2597-616 M Defrise et al 2005 Fourier rebinning of time-of-flight PET data Phys. Med. Biol. 50 2749-63 Z Su et al 2005 Systematic investigation of the signal properties of polycrystalline HgI2 detectors under mammographic, radiographic, fluoroscopic and radiotherapy irradiation conditions Phys. Med. Biol. 50 2907-28 E Bräuer-Krisch et al 2005 New irradiation geometry for microbeam radiation therapy Phys. Med. Biol. 50 3103-11 H C Pyo et al 2005 Identification of current density distribution in electrically conducting subject with anisotropic conductivity distribution Phys. Med. Biol. 50 3183-96 R P Findlay et al 2005 Effects of posture on FDTD calculations of specific absorption rate in a voxel model of the human body Phys. Med. Biol. 50 3825-35 G Alexandrakis et al 2005 Tomographic bioluminescence imaging by use of a combined optical-PET (OPET) system: a computer simulation feasibility study Phys. Med. Biol. 50 4225-41 J Keshvari et al 2005 Comparison of radio frequency energy absorption in ear and eye region of children and adults at 900, 1800 and 2450 MHz Phys. Med. Biol. 50 4355-69 J Laufer et al 2005 In vitro measurements of absolute blood oxygen saturation using pulsed near-infrared photoacoustic spectroscopy: accuracy and resolution Phys. Med. Biol. 50 4409-28 Z Cao et al 2005 Optimal number of pinholes in multi-pinhole SPECT for mouse brain imaging---a simulation study Phys. Med. Biol. 50 4609-24 R Dharmakumar et al 2005 A novel microbubble construct for intracardiac or intravascular MR manometry: a theoretical study Phys. Med. Biol. 50 4745-62 R Chopra et al 2005 Method for MRI-guided conformal thermal therapy of prostate with planar transurethral ultrasound heating applicators Phys. Med. Biol. 50 4957-75 The IPEM Publications Committee then assessed and rated these papers in order to choose a winner. We have much pleasure in advising readers that the 2005 Roberts Prize is awarded to: J S Dysart and M S Patterson 2005 Characterization of Photofrin photobleaching for singlet oxygen dose estimation during photodynamic therapy of MLL cells in vitro Phys. Med. Biol. 50 2597-616 2006 Prize for the Highest Cited Paper The annual prize for the most highly cited paper is awarded by the journal publishers to the article published in PMB that has received the most citations1 in the previous 5 years (in this case for the period 2001 to 2005 inclusive). We have much pleasure in advising readers that the 2006 prize is awarded to: P J Keall, V R Kini, S S Vedam and R Mohan 2001 Motion adaptive x-ray therapy: a feasibility study Phys. Med. Biol. 46 1-10 Simon Harris, Publisher Steve Webb, Editor-in-Chief 1 Figures taken from Thomson/ISI

PREFACE: 5th International Workshop DICE2010: Space-Time-Matter - Current Issues in Quantum Mechanics and Beyond

NASA Astrophysics Data System (ADS)

Diósi, Lajos; Elze, Hans-Thomas; Fronzoni, Leone; Halliwell, Jonathan; Prati, Enrico; Vitiello, Giuseppe; Yearsley, James

2011-07-01

These proceedings present the Invited Lectures and Contributed Papers of the Fifth International Workshop on Decoherence, Information, Complexity and Entropy - DICE 2010, held at Castello Pasquini, Castiglioncello (Tuscany), 13-17 September 2010. These proceedings are intended to document the stimulating exchange of ideas at this conference for both the interested public and the wider scientific community, as well as for the participants. The number of participants attending this series of meetings has been growing steadily, which reflects its increasing attraction. Our intention to bring together leading researchers, advanced students, and renowned scholars from various areas in order to stimulate new ideas and their exchange across the borders of specialization seems to bear fruit. In this way, the series of meetings has continued successfully from the beginning with DICE 2002 [1], followed by DICE 2004 [2], DICE 2006 [3], and DICE 2008 [4], uniting more than 100 participants representing almost 30 countries worldwide. It has been a great honour and inspiration to have Professor Luc Montagnier (Nobel Prize for Medicine 2008) from the World Foundation for AIDS Research and Prevention with us, who presented the lecture DNA waves and water (included in this volume). The discussions took place under the wider theme Space-Time-Matter - current issues in quantum mechanics and beyond in the very pleasant and inspiring atmosphere of Castello Pasquini, which - with its beautiful surroundings, overlooking the Tuscany coast - hosted the conference very successfully for the second time. The five-day program was grouped according to the following topics: Gravity and Quantum Mechanics Quantum Coherent Processes in Biology / Many-Body Systems From Quantum Foundations to Particle Physics The Deep Structure of Spacetime Quantum - Relativity - Cosmology A Public Roundtable Discussion formed an integral part of the program under the theme Sull' Onda Della Coerenza" - le nuove frontiere della scienza moderna with the participation of E Del Giudice (INFN & Università di Milano), L Fronzoni (Università di Pisa) and G Vitiello (Università di Salerno). By now forming a tradition, this evening event drew a large audience, who participated in lively discussions until late. The workshop was organized by L Diósi (Budapest), H-T Elze (Pisa, chair), L Fronzoni (Pisa), J Halliwell (London), E Prati (Milano) and G Vitiello (Salerno), with essential help from our conference seceretaries M Pesce-Rollins and L Baldini and from our students G Gambarotta and F Vallone, all from Pisa. Several institutions and sponsors supported the workshop; their representatives and, in particular, the citizens of Rosignano / Castiglioncello are deeply thanked for their generous help and kind hospitality: Comune di Rosignano - A Franchi (Sindaco di Rosignano), S Scarpellini (Segreteria sindaco), L Benini (Assessore ai lavori pubblici), M Pia (Assessore all' urbanistica). REA Rosignano Energia Ambiente s.p.a. - F Ghelardini (Presidente della REA), E Salvadori (Segreteria). Associazione Armunia - M Paganelli (Direttore), G Mannari (Programmazione). Special thanks go to G Mannari and her collaborators for their advice and great help in all the practical matters that had to be dealt with in order to run the meeting at Castello Pasquini smoothly. Funds made available by Università di Pisa, by Domus Galilaeana (Pisa), Centro Interdisciplinare per lo Studio dei Sistemi Complessi - CISSC (Pisa), Dipartmento di Matematica e Informatica (Università di Salerno), Instituto Italiano per gli Studi Filosofici - IISF (Napoli), and by the Hungarian Scientific Research Fund OTKA, are gratefully ackowledged. Last, but not least, special thanks are due to Laura Pesce (Vitrium Galleria, San Vincenzo) for the exposition for her artwork Dal io al cosmo at Castello Pasquini during the conference. The papers presented at the workshop and collected here have been edited by L Diósi, H-T Elze, L Fronzoni, J J Halliwell, E Prati, G Vitiello and J Yearsley. The proceedings essentially follow the order of presentation during the conference program, however, divided into Invited Lectures and Contributed Papers. (We regret that lectures by D Bouwmeester, G G Guerreschi, G C Ghirardi and C Kiefer could not be reproduced here, partly for copyright reasons.) In the name of all the participants, we would like to thank S Toms and G Douglas, and their collaborators at IOP Publishing (Bristol) for their friendly advice and most valuable and immediate help during the editing process and, especially, for their continuing efforts to make the Journal of Physics: Conference Series available to all. Budapest, Pisa, London, Milano and Salerno, May 2011 Lajos Diósi, Hans-Thomas Elze, Leone Fronzoni, Jonathan Halliwell, Enrico Prati, Guiseppe Vitiello and James Yearsley [1] Elze H-T (ed) 2004 Decoherence and Entropy in Complex Systems Lecture Notes in Physics 633 (Berlin: Springer) [2] Elze H-T (ed) 2005 Proceedings of the Second International Workshop on Decoherence, Information, Complexity and Entropy - DICE 2004 Braz. Journ. Phys. 35 2A and B pp 205-529free access at: www.sbfisica.org.br/bjp[3] Elze H-T, Diósi L, Fronzoni L, Halliwell J J and Vitiello (eds) 2007 Proceedings of the Third International Workshop on Decoherence, Information, Complexity and Entropy - DICE 2006 J. Phys.: Conf. Ser. 67free access at: www.iop.org/EJ/toc/1742-6596/67/1[4] Elze H-T, Diósi L, Fronzoni L, Halliwell J J and G Vitiello (eds) 2009 Proceedings of the Fourth International Workshop on Decoherence, Information, Complexity and Entropy - DICE 2008 J. Phys.: Conf. Ser. 174free access at: www.iop.org/EJ/toc/1742-6596/67/1

Summary of PhysPAG Activities

NASA Astrophysics Data System (ADS)

Ritz, Steven M.

2013-01-01

The Physics of the Cosmos (PCOS) Program Analysis Group (PhysPAG) provides an important interface between the scientific community and NASA in matters related to PCOS objectives, and also provides opportunities for community discussions. An Executive Committee facilitates the work of several subgroups, including an Inflation Probe Science Analysis Group (IPSAG), an X-ray group (XRSAG) , a gamma-ray,group (GRSAG), a gravitational wave group (GWSAG), and a cosmic-ray group (CRSAG). In addition to identifying opportunities and issues, these groups also help articulate technology needs. Membership in all the SAGs is completely open, with information and newsletter signups available on the PhysPAG pages at the PCOS program website. The PhysPAG reports to the Astrophysics Subcommittee of the NASA Advisory Council. A summary of PhysPAG activities will be given, along with time for questions and discussion.

How accurate are the parametrized correlation energies of the uniform electron gas?

NASA Astrophysics Data System (ADS)

Bhattarai, Puskar; Patra, Abhirup; Shahi, Chandra; Perdew, John P.

2018-05-01

Density functional approximations to the exchange-correlation energy are designed to be exact for an electron gas of uniform density parameter rs and relative spin polarization ζ , requiring a parametrization of the correlation energy per electron ɛc(rs,ζ ) . We consider three widely used parametrizations [J. P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981), 10.1103/PhysRevB.23.5048 or PZ81, S. H. Vosko, L. Wilk, and M. Nusair, Can. J. Phys. 58, 1200 (1980), 10.1139/p80-159 or VWN80, and J. P. Perdew and Y. Wang, Phys. Rev. B 45, 13244 (1992), 10.1103/PhysRevB.45.13244 or PW92] that interpolate the quantum Monte Carlo (QMC) correlation energies of Ceperley-Alder [Phys. Rev. Lett. 45, 566 (1980), 10.1103/PhysRevLett.45.566], while extrapolating them to known high-(rs→0 ) and low- (rs→∞ ) density limits. For the physically important range 0.5 ≤rs≤20 , they agree closely with one another, with differences of 0.01 eV (0.5%) or less between the latter two. The density parameter interpolation (DPI), designed to predict these energies by interpolation between the known high- and low-density limits, with almost no other input (and none for ζ =0 ), is also reasonably close, both in its original version and with corrections for ζ ≠0 . Moreover, the DPI and PW92 at rs=0.5 are very close to the high-density expansion. The larger discrepancies with the QMC of Spink et al. [Phys. Rev. B 88, 085121 (2013), 10.1103/PhysRevB.88.085121], of order 0.1 eV (5%) at rs=0.5 , are thus surprising, suggesting that the constraint-based PW92 and VWN80 parametrizations are more accurate than the QMC for rs<2 . For rs>2 , however, the QMC of Spink et al. confirms the dependence upon relative spin polarization predicted by the parametrizations.

Thermodynamics of Supercooled and Glassy Water

NASA Astrophysics Data System (ADS)

Debenedetti, Pablo G.

1998-03-01

The behavior of metastable water at low temperatures is unusual. The isothermal compressibility, the isobaric heat capacity, and the magnitude of the thermal expansion coefficient increase sharply upon supercooling, and structural relaxation becomes extremely sluggish at temperatures far above the glass transition(Angell, C.A., Annu. Rev. Phys. Chem., 34, 593, 1983)(Debenedetti, P.G., Metastable Liquids. Concepts and Principles, Princeton University Press, 1996). Water has two distinct glassy phases, low- and high-density amorphous ice (LDA, HDA). The transition between LDA and HDA is accompanied by sharp volume and enthalpy changes, and appears to be first-order(Mishima, O., L.D.Calvert, and E. Whalley, Nature, 314, 76, 1985)(Mishima, O., J. Chem. Phys., 100, 5910, 1994). The understanding of these observations in terms of an underlying global phase behavior remains incomplete(Speedy, R.J., J. Phys. Chem., 86, 982, 1982)(Poole, P.H., F. Sciortino, U. Essman, and H.E. Stanley, Nature, 360, 324, 1992)(Sastry, S., P.G. Debenedetti, F. Sciortino, and H.E. Stanley, Phys. Rev. E, 53, 6144, 1996)(Tanaka, H., Nature, 380, 328, 1996)(Xie, Y., K.F. Ludwig, G. Morales, D.E. Hare, and C.M. Sorensen, Phys. Rev. Lett., 71, 2050, 1993). Microscopic theories and computer simulations suggest several scenarios that can reproduce some experimental observations. Interesting and novel ideas have resulted from this body of theoretical work, such as the possibility of liquid-liquid immiscibility in a pure substance(Poole, P.H., F.Sciortino, T.Grande, H.E. Stanley, and C.A. Angell, Phys. Rev. Lett., 73, 1632, 1994)(Roberts, C.J., and P.G. Debenedetti, J. Chem. Phys., 105, 658, 1996)(Roberts, C.J., P.G. Debenedetti, and A.Z. Panagiotopoulos, Phys. Rev. Lett., 77, 4386, 1996)(Harrington, S., R. Zhang, P.H. Poole, F. Sciortino, and H.E. Stanley, Phys. Rev. Lett., 78, 2409, 1997). In this talk I will review the experimental facts, discuss their theoretical interpretation, and identify key unanswered questions.

Optical Measurement and Modeling of Interactions between Two Hole Spins or Two Electron Spins in Coupled InAs Quantum Dots

DTIC Science & Technology

2013-03-12

Loss, Phys. Rev. B 62, 2581 (2000). [10] R. I. Dzhioev, K.V. Kavokin, V. L. Korenev , M.V. Lazarev, B.Y. Meltser, M.N. Stepanova, B. P. Zakharchenya... Korenev , T. L. Reinecke, and D. Gammon, Phys. Rev. B 75, 245318 (2007). [12] D. Kim, S. G. Carter, A. Greilich, A. S. Bracker, and D. Gammon, Nat. Phys. 7...I. V. Ponomarev, E. A. Stinaff, A. S. Bracker, V. L. Korenev , T. L. Reinecke, and D. Gammon, Phys. Rev. Lett. 97, 197202 (2006). [30] W. Liu, S

Universal formulation of excitonic linear absorption spectra in all semiconductor microstructures

NASA Astrophysics Data System (ADS)

Lefebvre, Pierre; Christol, Philippe; Mathieu, Henry

1995-01-01

We present a generalization of the well-known exciton absorption calculations of Elliott [Phys. Rev. 108, 1384 (1957)], in the 3-dimensional case, and of Shinada and Sugano [J. Phys. Soc. Japan 21, 1936 (1966)], for 2-dimensional media: We calculate the optical absorption spectra of bound and unbound exciton states, by using a metric space with a noninteger dimension α (1 < α), obtaining almost exactly the same theoretical lineshapes as those resulting from accurate but costly numerical approaches [Chuang et al. Phys. Rev. B, 43, 1500 (1991); Benner and Haug, Phys. Rev. B 47, 15750 (1993)].

Resonance Fluorescence of a Two-Level Atom Near a Metal Surface. II. Case of a Strong Driving Field,

DTIC Science & Technology

1984-02-01

XYH thanks Prof. M. G. Raymer for a useful discussion. REFERENCES 1. X. Y. Huang, J. Lin and T. F. George, J. Chem. Phys., 80, 893 (1984). 2. X. Y...Mollow, Phys. Rev. A, 15, 1023 (1977). 12. J. L. Carlsten, A. Sz6ke and M. G. Raymer , Phys. Rev. A, 15, 1029 (1977). 13. H. Kuhn, J. Chem. Phys. 53, 101...Evanston, Illinois 60201 Austin, Texas 78712 Dr. Robert M. Hexter Dr. R. P. Van Duyne Department of Chemistry Chemistry Department University of Minnesota

Comment on 'Three-dimensional numerical investigation of electron transport with rotating spoke in a cylindrical anode layer Hall plasma accelerator'[Phys. Plasmas 19, 073519 (2012)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ellison, C. L.; Parker, J. B.; Raitses, Y.

The oscillation behavior described by Tang et al.[Phys. Plasmas 19, 073519 (2012)] differs too greatly from previous experimental and numerical studies to claim observation of the same phenomenon. Most significantly, the rotation velocity by Tang et al.[Phys. Plasmas 19, 073519 (2012)] is three orders of magnitude larger than that of typical 'rotating spoke' phenomena. Several physical and numerical considerations are presented to more accurately understand the numerical results of Tang et al.[Phys. Plasmas 19, 073519 (2012)] in light of previous studies.

Comment on “Stationary self-focusing of Gaussian laser beam in relativistic thermal quantum plasma” [Phys. Plasmas 20, 072703 (2013)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Habibi, M., E-mail: habibi.physics@gmail.com; Ghamari, F.

2014-06-15

Patil and Takale in their recent article [Phys. Plasmas 20, 072703 (2013)], by evaluating the quantum dielectric response in thermal quantum plasma, have modeled the relativistic self-focusing of Gaussian laser beam in a plasma. We have found that there are some important shortcomings and fundamental mistakes in Patil and Takale [Phys. Plasmas 20, 072703 (2013)] that we give a brief description about them and refer readers to important misconception about the use of the Fermi temperature in quantum plasmas, appearing in Patil and Takale [Phys. Plasmas 20, 072703 (2013)].

Does atomic polarizability play a role in hydrogen radio recombination spectra from Galactic H II regions?

NASA Astrophysics Data System (ADS)

Hey, J. D.

2013-09-01

Since highly excited atoms, which contribute to the radio recombination spectra from Galactic H II regions, possess large polarizabilities, their lifetimes are influenced by ion (proton)-induced dipole collisions. It is shown that, while these ion-radiator collisional processes, if acting alone, would effectively limit the upper principal quantum number attainable for given plasma parameters, their influence is small relative to that of electron impacts within the framework of line broadening theory. The present work suggests that ion-permanent dipole interactions (Hey et al 2004 J. Phys. B: At. Mol. Opt. Phys. 37 2543) would also be of minor importance in limiting the occupation of highly excited states. On the other hand, the ion-induced dipole collisions are essential for ensuring equipartition of energy between atomic and electron kinetic distributions (Hey et al 1999 J. Phys. B: At. Mol. Opt. Phys. 32 3555; 2005 J. Phys. B: At. Mol. Opt. Phys. 38 3517), without which Voigt profile analysis to extract impact broadening widths would not be possible. Electron densities deduced from electron impact broadening of individual lines (Griem 1967 Astrophys. J. 148 547; Watson 2006 J. Phys. B: At. Mol. Opt. Phys. 39 1889) may be used to check the significance of the constraints arising from the present analysis. The spectra of Bell et al (2000 Publ. Astron. Soc. Pac. 112 1236; 2011 Astrophys. Space Sci. 333 377; 2011 Astrophys. Space Sci. 335 451) for Orion A and W51 in the vicinity of 6.0 and 17.6 GHz are examined in this context, and also in terms of a possible role of the background ion microfield in reducing the near-elastic contributions to the electron impact broadening below the predictions of theory (Hey 2012 J. Phys. B: At. Mol. Opt. Phys. 45 065701). These spectra are analysed, subject to the constraint that calculated relative intensities of lines, arising from upper states in collisional-radiative equilibrium, should be consistent with those obtained from Voigt profile analysis. It is shown that the experimental technique yields an excellent temperature diagnostic for the H II regions. On the other hand, strong evidence is not obtained, from those spectra which satisfy the above constraint on intensity, to indicate that the electron impact broadening theory requires substantial correction. The main grounds for attempting a revision of theory to allow for the influence of the ion microfield during the scattering processes on the upper and lower states of each line thus still appear to have a stronger theoretical (Hey 2007 J. Phys. B: At. Mol. Opt. Phys. 40 4077) than experimental basis.

Accurate atomic data for xenon: energy levels, oscillator strengths, and electron collision cross sections

NASA Astrophysics Data System (ADS)

Bartschat, Klaus; Zatsarinny, Oleg

2009-10-01

We have applied our recently developed fully relativistic Dirac B-spline R-matrix (DBSR) code [1] to calculate the atomic structure (energy levels and oscillator strengths) as well as electron scattering from xenon atoms. Results from a 31-state close-coupling model for the excitation function of the metastable (5p^5 6s) J=0,2 states show excellent agreement with experiment [2], thereby presenting a significant improvement over the most sophisticated previous Breit-Pauli calculations [3,4]. The same model is currently being used to calculate electron-impact excitation from the metastable J=2 state. The results will be compared with recent experimental data [5] and predictions from other theoretical models [6,7]. Our dataset is an excellent basis for modeling plasma discharges containing xenon.[0pt] [1] O. Zatsarinny and K. Bartschat, Phys. Rev. A 77 (2008) 062701.[0pt] [2] S. J. Buckman et al., J. Phys. B 16 (1983) 4219.[0pt] [3] A. N. Grum-Grzhimailo and K. Bartschat, J. Phys. B 35 (2002) 3479.[0pt] [4] M. Allan et al., Phys. Rev. A 74 (2006) 030701(R).[0pt] [5] R. O. Jung et al., Phys. Rev. A 72 (2005) 022723.[0pt] [6] R. Srivastava et al., Phys. Rev. A 74 (2006) 012715.[0pt] [7] J. Jiang et al., J. Phys. B 41 (2008) 245204.

#Proana: Pro-Eating Disorder Socialization on Twitter.

PubMed

Arseniev-Koehler, Alina; Lee, Hedwig; McCormick, Tyler; Moreno, Megan A

2016-06-01

Pro-eating disorder (ED) online movements support engagement with ED lifestyles and are associated with negative health consequences for adolescents with EDs. Twitter is a popular social media site among adolescents that provides a unique setting for Pro-ED content to be publicly exchanged. The purpose of this study was to investigate Pro-ED Twitter profiles' references to EDs and how their social connections (followers) reference EDs. A purposeful sample of 45 Pro-ED profiles was selected from Twitter. Profile information, all tweets, and a random sample of 100 of their followers' profile information were collected for content analysis using the Twitter Application Programming Interface. A codebook based on ED screening guidelines was applied to evaluate ED references. For each Pro-ED profile, proportion of tweets with ED references and proportion of followers with ED references in their own profile were evaluated. In total, our 45 Pro-ED profiles generated 4,245 tweets for analysis. A median of 36.4% of profiles' tweets contained ED references. Pro-ED profiles had a median of 173 followers, and a median of 44.5% of followers had ED references. Pro-ED profiles with more tweets with ED references also tended to have more followers with ED references (β = .37, p < .01). Findings suggest that profiles which self-identify as Pro-ED express disordered eating patterns through tweets and have an audience of followers, many of whom also reference ED in their own profiles. ED socialization on Twitter might provide social support, but in the Pro-ED context this activity might also reinforce an ED identity. Copyright © 2016 The Society for Adolescent Health and Medicine. All rights reserved.

Simulation of Self-consistent Radio Wave Artificial Ionospheric Turbulence Pumping and Damping

NASA Astrophysics Data System (ADS)

Kochetov, Andrey

The numerical simulations of the action of self-consistent incident powerful electromagnetic wave absorption arising in the regions of artificial plasma turbulence excitation at formation, saturation and relaxation stages of turbulent structures (Kochetov, A.V., Mironov, V.A., Te-rina, G.I., Bubukina V. N, Physica D, Nonlinear phenomena, 2001, 152-153, 723) to reflection index dynamics are carried out. The nonlinear Schrüdinger equation in inhomogeneous plasma layer with incident electromagnetic wave pumping and backscattered radiation damping (Ko-chetov, et al, Adv. Space Res., 2002, 29, 1369 and 2006, 38, 2490) is extended with the imagi-nary part of plasma dielectric constant (volume damping), which is should be taken into account in strong electromagnetic field plasma regions and results the energy transformation from elec-tromagnetic waves to plasma ones at resonance interaction (D.V. Shapiro, V.I. Shevchenko, in Handbook of Plasma Physics 2, eds. A.A Galeev, R.N. Sudan. Elsevier, Amsterdam, 1984). The volume damping reproduces the basic energy transformation peculiarities: hard excitation, nonlinearity, hysteresis (A.V. Kochetov, E. Mjoelhus, Proc. of IV Intern. Workshop "SMP", Ed. A.G. Litvak, Vol.2, N. Novgorod, 2000, 491). Computer modeling demonstrates that the amplitude and period of reflection index oscillations at the formation stage slowly depend on damping parameters of turbulent plasma regions. The transformation from complicated: quasi-periodic and chaotic dynamics, to quasi-stationary regimes is shown at the saturation stage. Transient processes time becomes longer if the incident wave amplitude and nonlinear plasma response increase, but damping decreases. It is obtained that the calculated reflection and absorption index dynamics at the beginning of the saturation stage agrees qualitatively to the experimental results for ionosphere plasma modification study (Thide B., E.N. Sergeev, S.M. Grach, et. al., Phys. Rev. Lett., 2005, 95, 255002). The work was supported in part by RFBR grant 09-02-01150-a.

Molecular Structure and Chirality Determination from Pulsed-Jet Fourier Transform Microwave Spectroscopy

NASA Astrophysics Data System (ADS)

Lobsiger, Simon; Perez, Cristobal; Evangelisti, Luca; Seifert, Nathan A.; Pate, Brooks; Lehmann, Kevin

2014-06-01

Fourier transform microwave (FTMW) spectroscopy has been used for many years as one of the most accurate methods to determine gas-phase structures of molecules and small molecular clusters. In the last years two pioneering works ushered in a new era applications. First, by exploiting the reduced measurement time and the high sensitivity, the development of chirped-pulse CP-FTMW spectrometers enabled the full structural determination of molecules of increasing size as well as molecular clusters. Second, and more recently, Patterson et al. showed that rotational spectroscopy can also be used for enantiomer-specific detection. Here we present an experimental approach that combines both in a single spectrometer. This set-up is capable to rapidly obtain the full heavy-atom substitution structure using the CP-FTMW features. The inclusion of an extra set of broadband horns allows for a chirality-sensitive measurement of the sample. The measurement we implement is a three-wave mixing experiment that uses time-separated pulses to optimally create the chiral coherence - an approach that was proposed recently. Using samples of R-, S- and racemic Solketal, the physical properties of the three-wave mixing experiment were studied. This involved the measurement of the corresponding nutation curves (molecular signal intensity vs excitation pulse duration) to demonstrate the optimal pulse sequence. The phase stability of the chiral signal, required to assign the absolute stereochemistry, has been studied as a function of the measurement signal-to-noise ratio using a "phasogram" method. G. G. Brown, B. C. Dian, K. O. Douglass, S. M. Geyer, S. T. Shipman, B. H. Pate, Rev. Sci. Instrum. 2008, 79, 053103. D. Patterson, M. Schnell, J. M. Doyle, Nature 2013, 497, 475-477. D. Patterson, J. M. Doyle, Phys. Rev. Lett. 2013, 111, 023008. V. A. Shubert, D. Schmitz, D. Patterson, J. M. Doyle, M. Schnell, Angew. Chem. Int. Ed. 2014, 53, 1152-1155. J.-U. Grabow, Angew. Chem. 2013, 125, 11914 - 11916; Angew. Chem. Int. Ed. 2013, 52, 11698 -11700.

ODPEVP: A program for computing eigenvalues and eigenfunctions and their first derivatives with respect to the parameter of the parametric self-adjoined Sturm-Liouville problem

NASA Astrophysics Data System (ADS)

Chuluunbaatar, O.; Gusev, A. A.; Vinitsky, S. I.; Abrashkevich, A. G.

2009-08-01

A FORTRAN 77 program is presented for calculating with the given accuracy eigenvalues, eigenfunctions and their first derivatives with respect to the parameter of the parametric self-adjoined Sturm-Liouville problem with the parametric third type boundary conditions on the finite interval. The program calculates also potential matrix elements - integrals of the eigenfunctions multiplied by their first derivatives with respect to the parameter. Eigenvalues and matrix elements computed by the ODPEVP program can be used for solving the bound state and multi-channel scattering problems for a system of the coupled second-order ordinary differential equations with the help of the KANTBP programs [O. Chuluunbaatar, A.A. Gusev, A.G. Abrashkevich, A. Amaya-Tapia, M.S. Kaschiev, S.Y. Larsen, S.I. Vinitsky, Comput. Phys. Commun. 177 (2007) 649-675; O. Chuluunbaatar, A.A. Gusev, S.I. Vinitsky, A.G. Abrashkevich, Comput. Phys. Commun. 179 (2008) 685-693]. As a test desk, the program is applied to the calculation of the potential matrix elements for an integrable 2D-model of three identical particles on a line with pair zero-range potentials, a 3D-model of a hydrogen atom in a homogeneous magnetic field and a hydrogen atom on a three-dimensional sphere. Program summaryProgram title: ODPEVP Catalogue identifier: AEDV_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEDV_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC license, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 3001 No. of bytes in distributed program, including test data, etc.: 24 195 Distribution format: tar.gz Programming language: FORTRAN 77 Computer: Intel Xeon EM64T, Alpha 21264A, AMD Athlon MP, Pentium IV Xeon, Opteron 248, Intel Pentium IV Operating system: OC Linux, Unix AIX 5.3, SunOS 5.8, Solaris, Windows XP RAM: depends on the number and order of finite elements; the number of points; and the number of eigenfunctions required. Test run requires 4 MB Classification: 2.1, 2.4 External routines: GAULEG [3] Nature of problem: The three-dimensional boundary problem for the elliptic partial differential equation with an axial symmetry similar to the Schrödinger equation with the Coulomb and transverse oscillator potentials is reduced to the two-dimensional one. The latter finds wide applications in modeling of photoionization and recombination of oppositively charged particles (positrons, antiprotons) in the magnet-optical trap [4], optical absorption in quantum wells [5], and channeling of likely charged particles in thin doped films [6,7] or neutral atoms and molecules in artificial waveguides or surfaces [8,9]. In the adiabatic approach [10] known in mathematics as Kantorovich method [11] the solution of the two-dimensional elliptic partial differential equation is expanded over basis functions with respect to the fast variable (for example, angular variable) and depended on the slow variable (for example, radial coordinate ) as a parameter. An averaging of the problem by such a basis leads to a system of the second-order ordinary differential equations which contain potential matrix elements and the first-derivative coupling terms (see, e.g., [12,13,14]). The purpose of this paper is to present the finite element method procedure based on the use of high-order accuracy approximations for calculating eigenvalues, eigenfunctions and their first derivatives with respect to the parameter of the parametric self-adjoined Sturm-Liouville problem with the parametric third type boundary conditions on the finite interval. The program developed calculates potential matrix elements - integrals of the eigenfunctions multiplied by their derivatives with respect to the parameter. These matrix elements can be used for solving the bound state and multi-channel scattering problems for a system of the coupled second-order ordinary differential equations with the help of the KANTBP programs [1,2]. Solution method: The parametric self-adjoined Sturm-Liouville problem with the parametric third type boundary conditions is solved by the finite element method using high-order accuracy approximations [15]. The generalized algebraic eigenvalue problem AF=EBF with respect to a pair of unknown ( E,F) arising after the replacement of the differential problem by the finite-element approximation is solved by the subspace iteration method using the SSPACE program [16]. First derivatives of the eigenfunctions with respect to the parameter which contained in potential matrix elements of the coupled system equations are obtained by solving the inhomogeneous algebraic equations. As a test desk, the program is applied to the calculation of the potential matrix elements for an integrable 2D-model of three identical particles on a line with pair zero-range potentials described in [1,17,18], a 3D-model of a hydrogen atom in a homogeneous magnetic field described in [14,19] and a hydrogen atom on a three-dimensional sphere [20]. Restrictions: The computer memory requirements depend on: the number and order of finite elements; the number of points; and the number of eigenfunctions required. Restrictions due to dimension sizes may be easily alleviated by altering PARAMETER statements (see sections below and listing for details). The user must also supply DOUBLE PRECISION functions POTCCL and POTCC1 for evaluating potential function U(ρ,z) of Eq. (1) and its first derivative with respect to parameter ρ. The user should supply DOUBLE PRECISION functions F1FUNC and F2FUNC that evaluate functions f(z) and f(z) of Eq. (1). The user must also supply subroutine BOUNCF for evaluating the parametric third type boundary conditions. Running time: The running time depends critically upon: the number and order of finite elements; the number of points on interval [z,z]; and the number of eigenfunctions required. The test run which accompanies this paper took 2 s with calculation of matrix potentials on the Intel Pentium IV 2.4 GHz. References:O. Chuluunbaatar, A.A. Gusev, A.G. Abrashkevich, A. Amaya-Tapia, M.S. Kaschiev, S.Y. Larsen, S.I. Vinitsky, Comput. Phys. Comm. 177 (2007) 649-675 O. Chuluunbaatar, A.A. Gusev, S.I. Vinitsky, A.G. Abrashkevich, Comput. Phys. Comm. 179 (2008) 685-693. W.H. Press, S.A. Teukolsky, W.T. Vetterling, B.P. Flannery, Numerical Recipes: The Art of Scientific Computing, Cambridge University Press, Cambridge, 1986. O. Chuluunbaatar, A.A. Gusev, S.I. Vinitsky, V.L. Derbov, L.A. Melnikov, V.V. Serov, Phys. Rev. A 77 (2008) 034702-1-4. E.M. Kazaryan, A.A. Kostanyan, H.A. Sarkisyan, Physica E 28 (2005) 423-430. Yu.N. Demkov, J.D. Meyer, Eur. Phys. J. B 42 (2004) 361-365. P.M. Krassovitskiy, N.Zh. Takibaev, Bull. Russian Acad. Sci. Phys. 70 (2006) 815-818. V.S. Melezhik, J.I. Kim, P. Schmelcher, Phys. Rev. A 76 (2007) 053611-1-15. F.M. Pen'kov, Phys. Rev. A 62 (2000) 044701-1-4. M. Born, X. Huang, Dynamical Theory of Crystal Lattices, The Clarendon Press, Oxford, England, 1954. L.V. Kantorovich, V.I. Krylov, Approximate Methods of Higher Analysis, Wiley, New York, 1964. U. Fano, Colloq. Int. C.N.R.S. 273 (1977) 127;A.F. Starace, G.L. Webster, Phys. Rev. A 19 (1979) 1629-1640. C.V. Clark, K.T. Lu, A.F. Starace, in: H.G. Beyer, H. Kleinpoppen (eds.), Progress in Atomic Spectroscopy, Part C, Plenum, New York, 1984, pp. 247-320. O. Chuluunbaatar, A.A. Gusev, V.L. Derbov, M.S. Kaschiev, L.A. Melnikov, V.V. Serov, S.I. Vinitsky, J. Phys. A 40 (2007) 11485-11524. A.G. Abrashkevich, D.G. Abrashkevich, M.S. Kaschiev, I.V. Puzynin, Comput. Phys. Comm. 85 (1995) 40-64. K.J. Bathe, Finite Element Procedures in Engineering Analysis, Englewood Cliffs, Prentice-Hall, New York, 1982. O. Chuluunbaatar, A.A. Gusev, M.S. Kaschiev, V.A. Kaschieva, A. Amaya-Tapia, S.Y. Larsen, S.I. Vinitsky, J. Phys. B 39 (2006) 243-269. Yu.A. Kuperin, P.B. Kurasov, Yu.B. Melnikov, S.P. Merkuriev, Ann. Phys. 205 (1991) 330-361. O. Chuluunbaatar, A.A. Gusev, V.P. Gerdt, V.A. Rostovtsev, S.I. Vinitsky, A.G. Abrashkevich, M.S. Kaschiev, V.V. Serov, Comput. Phys. Comm. 178 (2008) 301-330. A.G. Abrashkevich, M.S. Kaschiev, S.I. Vinitsky, J. Comp. Phys. 163 (2000) 328-348.

Scaling analyses of the spectral dimension in 3-dimensional causal dynamical triangulations

NASA Astrophysics Data System (ADS)

Cooperman, Joshua H.

2018-05-01

The spectral dimension measures the dimensionality of a space as witnessed by a diffusing random walker. Within the causal dynamical triangulations approach to the quantization of gravity (Ambjørn et al 2000 Phys. Rev. Lett. 85 347, 2001 Nucl. Phys. B 610 347, 1998 Nucl. Phys. B 536 407), the spectral dimension exhibits novel scale-dependent dynamics: reducing towards a value near 2 on sufficiently small scales, matching closely the topological dimension on intermediate scales, and decaying in the presence of positive curvature on sufficiently large scales (Ambjørn et al 2005 Phys. Rev. Lett. 95 171301, Ambjørn et al 2005 Phys. Rev. D 72 064014, Benedetti and Henson 2009 Phys. Rev. D 80 124036, Cooperman 2014 Phys. Rev. D 90 124053, Cooperman et al 2017 Class. Quantum Grav. 34 115008, Coumbe and Jurkiewicz 2015 J. High Energy Phys. JHEP03(2015)151, Kommu 2012 Class. Quantum Grav. 29 105003). I report the first comprehensive scaling analysis of the small-to-intermediate scale spectral dimension for the test case of the causal dynamical triangulations of 3-dimensional Einstein gravity. I find that the spectral dimension scales trivially with the diffusion constant. I find that the spectral dimension is completely finite in the infinite volume limit, and I argue that its maximal value is exactly consistent with the topological dimension of 3 in this limit. I find that the spectral dimension reduces further towards a value near 2 as this case’s bare coupling approaches its phase transition, and I present evidence against the conjecture that the bare coupling simply sets the overall scale of the quantum geometry (Ambjørn et al 2001 Phys. Rev. D 64 044011). On the basis of these findings, I advance a tentative physical explanation for the dynamical reduction of the spectral dimension observed within causal dynamical triangulations: branched polymeric quantum geometry on sufficiently small scales. My analyses should facilitate attempts to employ the spectral dimension as a physical observable with which to delineate renormalization group trajectories in the hope of taking a continuum limit of causal dynamical triangulations at a nontrivial ultraviolet fixed point (Ambjørn et al 2016 Phys. Rev. D 93 104032, 2014 Class. Quantum Grav. 31 165003, Cooperman 2016 Gen. Relativ. Gravit. 48 1, Cooperman 2016 arXiv:1604.01798, Coumbe and Jurkiewicz 2015 J. High Energy Phys. JHEP03(2015)151).

Travelling-wave amplitudes as solutions of the phase-field crystal equation

NASA Astrophysics Data System (ADS)

Nizovtseva, I. G.; Galenko, P. K.

2018-01-01

The dynamics of the diffuse interface between liquid and solid states is analysed. The diffuse interface is considered as an envelope of atomic density amplitudes as predicted by the phase-field crystal model (Elder et al. 2004 Phys. Rev. E 70, 051605 (doi:10.1103/PhysRevE.70.051605); Elder et al. 2007 Phys. Rev. B 75, 064107 (doi:10.1103/PhysRevB.75.064107)). The propagation of crystalline amplitudes into metastable liquid is described by the hyperbolic equation of an extended Allen-Cahn type (Galenko & Jou 2005 Phys. Rev. E 71, 046125 (doi:10.1103/PhysRevE.71.046125)) for which the complete set of analytical travelling-wave solutions is obtained by the method (Malfliet & Hereman 1996 Phys. Scr. 15, 563-568 (doi:10.1088/0031-8949/54/6/003); Wazwaz 2004 Appl. Math. Comput. 154, 713-723 (doi:10.1016/S0096-3003(03)00745-8)). The general solution of travelling waves is based on the function of hyperbolic tangent. Together with its set of particular solutions, the general solution is analysed within an example of specific task about the crystal front invading metastable liquid (Galenko et al. 2015 Phys. D 308, 1-10 (doi:10.1016/j.physd.2015.06.002)). The influence of the driving force on the phase-field profile, amplitude velocity and correlation length is investigated for various relaxation times of the gradient flow. This article is part of the theme issue `From atomistic interfaces to dendritic patterns'.

Comment on ``Dynamic Peierls-Nabarro equations for elastically isotropic crystals''

NASA Astrophysics Data System (ADS)

Markenscoff, Xanthippi

2011-02-01

The paper by Pellegrini [Phys. Rev. BPRBMDO0031-899X10.1103/PhysRevB.81.024101 81, 024101 (2010)] introduces additional “distributional terms” to the displacement of the static field of a dislocation and claims that they are needed so that Weertman's equation for the steady-state motion of the Peierls-Nabarro dislocation be recovered. He also claims that the [Eshelby, Phys. Rev.PHRVAO0031-899X10.1103/PhysRev.90.248 90, 248 (1953)] solution for a moving screw is wrong, a statement with which I disagree. The same [Eshelby, Phys. Rev.PHRVAO0031-899X10.1103/PhysRev.90.248 90, 248 (1953)] solution is also obtained and used by the eminent dislocation scientists Al’shitz and Indenbom in Al’shitz [Sov. Phys. JETP 33, 1240 (1971)] that the author ignores. A key reference in the formulation of the problem as a 3D inclusion with eigenstrain is Willis [J. Mech. Phys. SolidsJMPSA80022-509610.1016/0022-5096(65)90038-4 13, 377 (1965)] who showed that, in the transient fields, the static Eshelby equivalence of dislocations to inclusions (with eigenstrain) does not hold, but only at long times when they tend to the static ones. In this Comment the author provides the fundamental physics of the behavior of a moving Volterra dislocation in nonuniform motion by showing how the singular fields near the moving core are obtained from “first principles” (without solving for the full fields). The limit to the steady-state motion of a Peierls-Nabarro dislocation is also shown how to be obtained from first principles from the Volterra one by taking the appropriate limit, without the need of the additional distributional terms that Pellegrini introduces.

Fit Point-Wise AB Initio Calculation Potential Energies to a Multi-Dimension Long-Range Model

NASA Astrophysics Data System (ADS)

Zhai, Yu; Li, Hui; Le Roy, Robert J.

2016-06-01

A potential energy surface (PES) is a fundamental tool and source of understanding for theoretical spectroscopy and for dynamical simulations. Making correct assignments for high-resolution rovibrational spectra of floppy polyatomic and van der Waals molecules often relies heavily on predictions generated from a high quality ab initio potential energy surface. Moreover, having an effective analytic model to represent such surfaces can be as important as the ab initio results themselves. For the one-dimensional potentials of diatomic molecules, the most successful such model to date is arguably the ``Morse/Long-Range'' (MLR) function developed by R. J. Le Roy and coworkers. It is very flexible, is everywhere differentiable to all orders. It incorporates correct predicted long-range behaviour, extrapolates sensibly at both large and small distances, and two of its defining parameters are always the physically meaningful well depth {D}_e and equilibrium distance r_e. Extensions of this model, called the Multi-Dimension Morse/Long-Range (MD-MLR) function, linear molecule-linear molecule systems and atom-non-linear molecule system. have been applied successfully to atom-plus-linear molecule, linear molecule-linear molecule and atom-non-linear molecule systems. However, there are several technical challenges faced in modelling the interactions of general molecule-molecule systems, such as the absence of radial minima for some relative alignments, difficulties in fitting short-range potential energies, and challenges in determining relative-orientation dependent long-range coefficients. This talk will illustrate some of these challenges and describe our ongoing work in addressing them. Mol. Phys. 105, 663 (2007); J. Chem. Phys. 131, 204309 (2009); Mol. Phys. 109, 435 (2011). Phys. Chem. Chem. Phys. 10, 4128 (2008); J. Chem. Phys. 130, 144305 (2009) J. Chem. Phys. 132, 214309 (2010) J. Chem. Phys. 140, 214309 (2010)

Statistical mechanical theory for steady state systems. VI. Variational principles

NASA Astrophysics Data System (ADS)

Attard, Phil

2006-12-01

Several variational principles that have been proposed for nonequilibrium systems are analyzed. These include the principle of minimum rate of entropy production due to Prigogine [Introduction to Thermodynamics of Irreversible Processes (Interscience, New York, 1967)], the principle of maximum rate of entropy production, which is common on the internet and in the natural sciences, two principles of minimum dissipation due to Onsager [Phys. Rev. 37, 405 (1931)] and to Onsager and Machlup [Phys. Rev. 91, 1505 (1953)], and the principle of maximum second entropy due to Attard [J. Chem.. Phys. 122, 154101 (2005); Phys. Chem. Chem. Phys. 8, 3585 (2006)]. The approaches of Onsager and Attard are argued to be the only viable theories. These two are related, although their physical interpretation and mathematical approximations differ. A numerical comparison with computer simulation results indicates that Attard's expression is the only accurate theory. The implications for the Langevin and other stochastic differential equations are discussed.

Research-based resources on PhysPort

NASA Astrophysics Data System (ADS)

Sayre, Eleanor

2017-01-01

PhysPort (http://physport.org) is a website that supports physics faculty in implementing research-based teaching practices in their classrooms. We provide expert recommendations and practical information about teaching methods and assessment. The PhysPort Data Explorer is an intuitive online tool for physics faculty to analyze their assessment data. Faculty upload their students' responses using our secure interface. The Data Explorer matches their pre/post data, scores it, compares it to national data, and graphs it in an interactive and intuitive manner. The Periscope collection on Physport brings together classroom video of students working groups with professional development materials for faculty, pre-service teachers, and learning assistants. To support PhysPort's development efforts, we conduct research on faculty needs around teaching and assessment, secondary analysis of published PER studies, and primary analysis of assessment data. In this talk, I'll introduce some of PhysPort's research-based resources and the research results which support them.

A Physics-Based Vibrotactile Feedback Library for Collision Events.

PubMed

Park, Gunhyuk; Choi, Seungmoon

2017-01-01

We present PhysVib: a software solution on the mobile platform extending an open-source physics engine in a multi-rate rendering architecture for automatic vibrotactile feedback upon collision events. PhysVib runs concurrently with a physics engine at a low update rate and generates vibrotactile feedback commands at a high update rate based on the simulation results of the physics engine using an exponentially-decaying sinusoidal model. We demonstrate through a user study that this vibration model is more appropriate to our purpose in terms of perceptual quality than more complex models based on sound synthesis. We also evaluated the perceptual performance of PhysVib by comparing eight vibrotactile rendering methods. Experimental results suggested that PhysVib enables more realistic vibrotactile feedback than the other methods as to perceived similarity to the visual events. PhysVib is an effective solution for providing physically plausible vibrotactile responses while reducing application development time to great extent.

Pion distribution amplitude from Euclidean correlation functions

NASA Astrophysics Data System (ADS)

Bali, Gunnar S.; Braun, Vladimir M.; Gläßle, Benjamin; Göckeler, Meinulf; Gruber, Michael; Hutzler, Fabian; Korcyl, Piotr; Lang, Bernhard; Schäfer, Andreas; Wein, Philipp; Zhang, Jian-Hui

2018-03-01

Following the proposal in (Braun and Müller. Eur Phys J C55:349, 2008), we study the feasibility to calculate the pion distribution amplitude (DA) from suitably chosen Euclidean correlation functions at large momentum. In our lattice study we employ the novel momentum smearing technique (Bali et al. Phys Rev D93:094515, 2016; Bali et al. Phys Lett B774:91, 2017). This approach is complementary to the calculations of the lowest moments of the DA using the Wilson operator product expansion and avoids mixing with lower dimensional local operators on the lattice. The theoretical status of this method is similar to that of quasi-distributions (Ji. Phys Rev Lett 110:262002, 2013) that have recently been used in (Zhang et al. Phys Rev D95:094514, 2017) to estimate the twist two pion DA. The similarities and differences between these two techniques are highlighted.

Coding coarse grained polymer model for LAMMPS and its application to polymer crystallization

NASA Astrophysics Data System (ADS)

Luo, Chuanfu; Sommer, Jens-Uwe

2009-08-01

We present a patch code for LAMMPS to implement a coarse grained (CG) model of poly(vinyl alcohol) (PVA). LAMMPS is a powerful molecular dynamics (MD) simulator developed at Sandia National Laboratories. Our patch code implements tabulated angular potential and Lennard-Jones-9-6 (LJ96) style interaction for PVA. Benefited from the excellent parallel efficiency of LAMMPS, our patch code is suitable for large-scale simulations. This CG-PVA code is used to study polymer crystallization, which is a long-standing unsolved problem in polymer physics. By using parallel computing, cooling and heating processes for long chains are simulated. The results show that chain-folded structures resembling the lamellae of polymer crystals are formed during the cooling process. The evolution of the static structure factor during the crystallization transition indicates that long-range density order appears before local crystalline packing. This is consistent with some experimental observations by small/wide angle X-ray scattering (SAXS/WAXS). During the heating process, it is found that the crystalline regions are still growing until they are fully melted, which can be confirmed by the evolution both of the static structure factor and average stem length formed by the chains. This two-stage behavior indicates that melting of polymer crystals is far from thermodynamic equilibrium. Our results concur with various experiments. It is the first time that such growth/reorganization behavior is clearly observed by MD simulations. Our code can be easily used to model other type of polymers by providing a file containing the tabulated angle potential data and a set of appropriate parameters. Program summaryProgram title: lammps-cgpva Catalogue identifier: AEDE_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEDE_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GNU's GPL No. of lines in distributed program, including test data, etc.: 940 798 No. of bytes in distributed program, including test data, etc.: 12 536 245 Distribution format: tar.gz Programming language: C++/MPI Computer: Tested on Intel-x86 and AMD64 architectures. Should run on any architecture providing a C++ compiler Operating system: Tested under Linux. Any other OS with C++ compiler and MPI library should suffice Has the code been vectorized or parallelized?: Yes RAM: Depends on system size and how many CPUs are used Classification: 7.7 External routines: LAMMPS ( http://lammps.sandia.gov/), FFTW ( http://www.fftw.org/) Nature of problem: Implementing special tabular angle potentials and Lennard-Jones-9-6 style interactions of a coarse grained polymer model for LAMMPS code. Solution method: Cubic spline interpolation of input tabulated angle potential data. Restrictions: The code is based on a former version of LAMMPS. Unusual features.: Any special angular potential can be used if it can be tabulated. Running time: Seconds to weeks, depending on system size, speed of CPU and how many CPUs are used. The test run provided with the package takes about 5 minutes on 4 AMD's opteron (2.6 GHz) CPUs. References:D. Reith, H. Meyer, F. Müller-Plathe, Macromolecules 34 (2001) 2335-2345. H. Meyer, F. Müller-Plathe, J. Chem. Phys. 115 (2001) 7807. H. Meyer, F. Müller-Plathe, Macromolecules 35 (2002) 1241-1252.

Application of Four-Wave Mixing Spectroscopy in the Excitonic Region of Semiconductors.

DTIC Science & Technology

1984-03-01

dence. our data imply that the linear absorption as well as "E. Panizza , Appl. Phys. Lett. 10. 265 119671. 618 J. Appl. Phys., Vol. 53, No. 1...20, 413 (1969). 6. E. W. Van Stryland and M. A. Woodall, J. Opt. Soc. Am. 70,1612 22. E. Panizza , Appl. Phys. Left. 10, 265 (1967). (1980). 23. J. H

Experimental Test of Nonlocal Realism Using a Fiber-Based Source of Polarization-Entangled Photon Paris

DTIC Science & Technology

2008-03-25

J. F. Clauser and M. A. Horne, Phys. Rev. D 10, 526 1974. 6 A. Zeilinger , Rev. Mod. Phys. 71, S288 1999; A. Aspect, Nature London 398, 189...Jennewein, M. Zukowski, M. Aspelmeyer, and A. Zeilinger , Phys. Rev. Lett. 99, 210406 2007; C. Branciard, A. Ling, N. Gisin, C. Kurt- siefer, A. Lamas

Resolved Sideband Spectroscopy for the Detection of Weak Optical Transitions

DTIC Science & Technology

2013-08-01

Lett. 81, 317 (1998). [12] T. Baba and I. Waki , “Cooling and Mass-Analysis of Molecules Using Laser-Cooled Atoms,” Jpn. J. Appl. Phys 35, L1134 (1996...fermions,” Phys. Rev. A: At. Mol. Opt. Phys. 65, 043601 (2002). [26] T. Baba and I. Waki , “Spectral shape of in situ mass spectra of sympathetically cooled

Spatially and Spectrally Resolved Cathodoluminescence of Hot-Filament Chemical-Vapor-Deposited Diamond Particles

DTIC Science & Technology

1991-04-24

Knight, J. Appl. Phys. 67, 7019 (1990) 12. H. Kawarada, K. Nishimura, T. Ito, J. Suzuki, K. Mar, Y. Yokota and A. Hiraki , Jpn. J. Appl. Phys. 27...L683 (1988) 21 13. H. Kawarada, Y. Yokota, Y. Mori, K. Nishimura and A. Hiraki . J. Appi. Phys. 67, 983 (1990) 14. E. N. Farabaugh, A. Feldman, L. H

Weak measurement combined with quantum delayed-choice experiment and implementation in optomechanical system

NASA Astrophysics Data System (ADS)

Li, Gang; Wang, Tao; Ye, Ming-Yong; Song, He-Shan

2015-12-01

Weak measurement [Y. Aharonov, D.Z. Albert, L. Vaidman, Phys. Rev. Lett. 60, 1351 (1988); C. Simon, E.S. Polzik, Phys. Rev. A 83, 040101(R) (2011)] combined with quantum delayed-choice experiment that use Controlled Hadamard gate instead of Hadamard gate in quantum networks give rise to a surprising amplification effect, i.e., counterintuitive negative amplification effect. We show that this effect is caused by the wave and particle behaviours of the system, and it can't be explained by a semiclassical wave theory [D. Suter, Phys. Rev. A 51, 45 (1995); J.C. Howell, D.J. Starling, P.B. Dixon, P.K. Vudyasetu, A.N. Jordan, Phys. Rev. A 81, 033813 (2010); N. Brunner, A. Acín, D. Collins, N. Gisin, V. Scarani, Phys. Rev. Lett. 91, 180402 (2003)] and by the statistical feature of preselection and postselection with disturbance [C. Ferrie, J. Combes, Phys. Rev. Lett. 113, 120404 (2014)], due to the entanglement of the system and the ancilla in Controlled Hadamard gate. The generation mechanism with wave-particle duality in quantum mechanics lead us to a scheme for implementation of weak measurement in optomechanical system.

e-Phys: a suite of intracellular neurophysiology programs integrating COM (component object model) technologies.

PubMed

Nguyen, Quoc-Thang; Miledi, Ricardo

2003-09-30

Current computer programs for intracellular recordings often lack advanced data management, are usually incompatible with other applications and are also difficult to adapt to new experiments. We have addressed these shortcomings in e-Phys, a suite of electrophysiology applications for intracellular recordings. The programs in e-Phys use Component Object Model (COM) technologies available in the Microsoft Windows operating system to provide enhanced data storage, increased interoperability between e-Phys and other COM-aware applications, and easy customization of data acquisition and analysis thanks to a script-based integrated programming environment. Data files are extensible, hierarchically organized and integrated in the Windows shell by using the Structured Storage technology. Data transfers to and from other programs are facilitated by implementing the ActiveX Automation standard and distributed COM (DCOM). ActiveX Scripting allows experimenters to write their own event-driven acquisition and analysis programs in the VBScript language from within e-Phys. Scripts can reuse components available from other programs on other machines to create distributed meta-applications. This paper describes the main features of e-Phys and how this package was used to determine the effect of the atypical antipsychotic drug clozapine on synaptic transmission at the neuromuscular junction.

EDITORIAL: Cluster issue on Heusler compounds and devices Cluster issue on Heusler compounds and devices

NASA Astrophysics Data System (ADS)

Felser, Claudia; Hillebrands, Burkard

2009-04-01

This is the third cluster issue of Journal Physics D: Applied Physics devoted to half-metallic Heusler compounds and devices utilizing this class of materials. Heusler compounds are named after Fritz Heusler, the owner of a German copper mine, the Isabellenhütte, who discovered this class of materials in 1903 [1]. He synthesized mixtures of Cu2Mn alloys with various main group metals Z = Al, Si, Sn, Sb, which became ferromagnetic despite all constituents being non-magnetic. The recent success story of Heusler compounds began in 1983 with the discovery of the half-metallic electronic structure in NiMnSb [2] and Co2MnZ [3], making these and similar materials, in particular PtMnSb, also useful for magneto-optical data storage media applications due to their high Kerr rotation. The real breakthrough, however, came in 2000 with the observation of a large magnetoresistance effect in Co2Cr0.6Fe0.4Al [4]. The Co2YZ (Y = Ti, Cr, Mn, Fe) compounds are a special class of materials, which follow the Slater-Pauling rule [5], and most of them are half-metallic bulk materials. The electronic structure of Heusler compounds is well understood [6] and Curie temperatures up to 1100 K have been observed [7]. In their contribution to this cluster issue, Thoene et al predict that still higher Curie temperatures can be achieved. A breakthrough from the viewpoint of materials design is the synthesis of nanoparticles of Heusler compounds as reported in the contribution by Basit et al. Nano-sized half- metallic ferromagnets will open new directions for spintronic applications. The challenge, however, is still to produce spintronic devices with well defined interfaces to take advantage of the half-metallicity of the electrodes. Several groups have succeeded in producing excellent tunnel junctions with high magnetoresistance effects at low temperatures and decent values at room temperature [8-11]. Spin-dependent tunnelling characteristics of fully epitaxial magnetic tunnel junctions with a Heusler alloy can be used to obtain information about the half-metallicity and the magnons as reported by Taira et al in this issue. An improvement of the tunnel magnetoresistance effect (TMR) at room temperature could be achieved by shifting the Fermi energy from the edges of the valence or the conduction band into the middle of the gap [12]. In the case of Co2FeSi0.5Al0.5 (CFAS), TMR values higher than 200% can be achieved [13]. The improvement of the interface seems to be important as has been shown by XMCD (x-ray magnetic circular dichroism) [14] and photoemission spectroscopy [15]. The interface magnetization is very often reduced [14]; however, the interface and the surface electron spin polarization can be improved by post annealing as reported by Wüstenberg et al in this issue. High energy photoemission spectroscopy is a new tool for investigating bulk properties of Heusler compounds [16]. In this issue we report on the investigation of a whole device structure by this technique due to the high escape depth inherent to this method in the contribution of Herbort et al. Dynamic correlations might be a reason for the formation of non-quasi-particles such as magnons in the gap [17], which destroy the half-metallicity and thus can be considered as another cause for the reduced TMR at room temperature. Thus correlations have to be taken into account. This is demonstrated for the Heusler compound Co2Mn1 - xFexSi as reported by Chadov et al in this issue. Magneto-optic methods are powerful instruments for investigating magnetic properties of Heusler compounds. The determination of the huge quadratic Kerr effect in the Co2FeSi Heusler compound is a good example [18]. In this issue Hamrle et al and Gaier et al report on the determination of the exchange constant by measuring the magnon dispersion properties using Brillouin light scattering spectroscopy. The magnon dispersion was calculated by Thoene et al. New developments in the field of spintronics go into the direction of the spin-Hall effect, spin-torque investigations and CPP GMR (current perpendicular plane giant magnetoresistance). Schneider et al have studied the Hall effect of laser ablated Co2(MnFe)Si thin films. Recently Inomata's group has reported on a high CPP GMR effect based on CFSA [19]. In this issue a theoretical study by Dai et al reports on the interfaces between CCFA and very thin chromium layers. Here the interface stays half-metallic which is a promising result regarding the realization of potential GMR devices. For spin-torque applications special requirements concerning the materials are necessary. Low damping constants, low magnetic moments and a perpendicular anisotropy are favourable properties. Ferrimagnetic Heusler compounds are candidates for low magnetic moments despite a high spin polarization and a high Curie temperature [20, 21]. Mn3Ga shows additionally a tetragonal distortion, which is favourable for perpendicular anisotropy [21]. The stability of Heusler compounds versus structural distortion is a well known phenomenon in shape memory alloys [22]. We hope this cluster of papers will inspire many researchers in the field of spintronics and motivate some of them to use these advanced materials for new devices. References [1] Heusler F 1903 Verh. Dtsch. Phys. Ges. 12 219 [2] de Groot R A, Müller F M, van Engen P G and Buschow K H J 1983 Phys. Rev. Lett. 50 2024 [3] Kübler J, Williams A R, Sommers C B 1983 Phys. Rev. B 28 1745 [4] Block T, Felser C and Jakob G 2003 J. Solid State Chem. 176 646 [5] Galanakis I, Mavropoulos Ph and Dederichs P H 2006 J. Phys. D: Appl. Phys. 39 765 [6] Kandpal H C, Fecher G H and Felser C 2007 J. Phys. D: Appl. Phys. 40 1507 [7] Wurmehl S, Fecher G H, Kandpal H C, Ksenofontov V, Felser C and Lin H J 2006 Appl. Phys. Lett. 86 032503 [8] Kämmerer S, Thomas A, Hütten A and Reiss G 2004 Appl. Phys. Lett. 85 79 [9] Yamato M, Marukame T, Ishikawa T, Matsuda K, Uemura T and Arita M 2006 J. Phys. D: Appl. Phys. 39 824 [10] Sakuraba Y, Hattori M, Oogane M, Ando Y, Kato H, Sakuma A, Miyazaki T and Kubota H 2006 Appl. Phys. Lett. 88 192508 [11] Inomata K, Okamura S, Miyazaki A, Kikuchi M, Tezuka N, Wojcik M and Jedryka E 2006 J. Phys. D: Appl. Phys. 39 816 [12] Fecher G H and Felser C 2007 J. Phys. D: Appl. Phys. 40 1582 [13] Tezuka N, Ikeda N, Miyazaki A, Sugimoto S, Kikuchi M and Inomata K 2006 Appl. Phys. Lett. 89 112514 [14] Kallmayer M, Schneider H, Jakob G, Elmers H J, Balke B and Cramm S 2007 J. Phys. D: Appl. Phys. 40 1552 [15] Cinchetti M, Wüstenberg J P, Sánchez Albaneda M, Steeb F, Conca A, Jourdan M and Aeschlimann M 2007 J. Phys. D: Appl. Phys. 40 1544 [16] Fecher G H, Balke B, Ouardi S, Felser C, Schonhense G, Ikenaga E, Kim J J, Ueda S and Kobayashi K 2007 J. Phys. D: Appl. Phys. 40 1576 [17] Chioncel L, Sakuraba Y, Arrigoni E, Katsnelson M I, Oogane M, Ando Y, Miyazaki T, Burzo E and Lichtenstein A I 2008 Phys. Rev. Lett. 100 086402 [18] Hamrle J, Blomeier S, Gaier O, Hillebrands B, Schneider H, Jakob G, Postava K and Felser C 2007 J. Phys. D: Appl. Phys. 40 1563 [19] Furubayashi T, Kodama K, Sukegawa H, Takahashi Y K, Inomata K and Hono K 2008 Appl. Phys. Lett. 93 122507 [20] Balke B, Fecher G H, Winterlik J and Felser C 2007 Appl. Phys. Lett. 90 152504 [21] Wurmehl S, Kandpal H C, Fecher G H and Felser C 2006 J. Phys.: Cond. Mat. 18 6171 [22] Entel P, Bucheinikov V D, Khovailo V V, Zayak A T, Adeagbo W A, Gruner M E, Herper H C and Wassermann E F 2006 J. Phys. D: Appl. Phys. 39 865

Analytical phase diagrams for colloids and non-adsorbing polymer.

PubMed

Fleer, Gerard J; Tuinier, Remco

2008-11-04

We review the free-volume theory (FVT) of Lekkerkerker et al. [Europhys. Lett. 20 (1992) 559] for the phase behavior of colloids in the presence of non-adsorbing polymer and we extend this theory in several aspects: (i) We take the solvent into account as a separate component and show that the natural thermodynamic parameter for the polymer properties is the insertion work Pi(v), where Pi is the osmotic pressure of the (external) polymer solution and v the volume of a colloid particle. (ii) Curvature effects are included along the lines of Aarts et al. [J. Phys.: Condens. Matt. 14 (2002) 7551] but we find accurate simple power laws which simplify the mathematical procedure considerably. (iii) We find analytical forms for the first, second, and third derivatives of the grand potential, needed for the calculation of the colloid chemical potential, the pressure, gas-liquid critical points and the critical endpoint (cep), where the (stable) critical line ends and then coincides with the triple point. This cep determines the boundary condition for a stable liquid. We first apply these modifications to the so-called colloid limit, where the size ratio q(R)=R/a between the radius of gyration R of the polymer and the particle radius a is small. In this limit the binodal polymer concentrations are below overlap: the depletion thickness delta is nearly equal to R, and Pi can be approximated by the ideal (van't Hoff) law Pi=Pi(0)=phi/N, where phi is the polymer volume fraction and N the number of segments per chain. The results are close to those of the original Lekkerkerker theory. However, our analysis enables very simple analytical expressions for the polymer and colloid concentrations in the critical and triple points and along the binodals as a function of q(R). Also the position of the cep is found analytically. In order to make the model applicable to higher size ratio's q(R) (including the so-called protein limit where q(R)>1) further extensions are needed. We introduce the size ratio q=delta/a, where the depletion thickness delta is no longer of order R. In the protein limit the binodal concentrations are above overlap. In such semidilute solutions delta approximately xi, where the De Gennes blob size (correlation length) xi scales as xi approximately phi(-gamma), with gamma=0.77 for good solvents and gamma=1 for a theta solvent. In this limit Pi=Pi(sd) approximately phi(3gamma). We now apply the following additional modifications: With these latter two modifications we obtain again a fully analytical model with simple equations for critical and triple points as a function of q(R). In the protein limit the binodal polymer concentrations scale as q(R)(1/gamma), and phase diagrams phiq(R)(-1/gamma) versus the colloid concentration eta become universal (i.e., independent of the size ratio q(R)). The predictions of this generalized free-volume theory (GFVT) are in excellent agreement with experiment and with computer simulations, not only for the colloid limit but also for the protein limit (and the crossover between these limits). The q(R)(1/gamma) scaling is accurately reproduced by both simulations and other theoretical models. The liquid window is the region between phi(c) (critical point) and phi(t) (triple point). In terms of the ratio phi(t)/phi(c) the liquid window extends from 1 in the cep (here phi(t)-phi(c)=0) to 2.2 in the protein limit. Hence, the liquid window is narrow: it covers at most a factor 2.2 in (external) polymer concentration.

A ring polymer molecular dynamics study of the isotopologues of the H + H2 reaction.

PubMed

Suleimanov, Yury V; de Tudela, Ricardo Pérez; Jambrina, Pablo G; Castillo, Jesús F; Sáez-Rábanos, Vicente; Manolopoulos, David E; Aoiz, F Javier

2013-03-14

The inclusion of Quantum Mechanical (QM) effects such as zero point energy (ZPE) and tunneling in simulations of chemical reactions, especially in the case of light atom transfer, is an important problem in computational chemistry. In this respect, the hydrogen exchange reaction and its isotopic variants constitute an excellent benchmark for the assessment of approximate QM methods. In particular, the recently developed ring polymer molecular dynamics (RPMD) technique has been demonstrated to give very good results for bimolecular chemical reactions in the gas phase. In this work, we have performed a detailed RPMD study of the H + H(2) reaction and its isotopologues Mu + H(2), D + H(2) and Heμ + H(2), at temperatures ranging from 200 to 1000 K. Thermal rate coefficients and kinetic isotope effects have been computed and compared with exact QM calculations as well as with quasiclassical trajectories and experiment. The agreement with the QM results is good for the heaviest isotopologues, with errors ranging from 15% to 45%, and excellent for Mu + H(2), with errors below 15%. We have seen that RPMD is able to capture the ZPE effect very accurately, a desirable feature of any method based on molecular dynamics. We have also verified Richardson and Althorpe's prediction [J. O. Richardson and S. C. Althorpe, J. Chem. Phys., 2009, 131, 214106] that RPMD will overestimate thermal rates for asymmetric reactions and underestimate them for symmetric reactions in the deep tunneling regime. The ZPE effect along the reaction coordinate must be taken into account when assigning the reaction symmetry in the multidimensional case.

Effects of polarization direction on laser-assisted free-free scattering

NASA Astrophysics Data System (ADS)

deHarak, B. A.; Kim, B. N.; Weaver, C. M.; Martin, N. L. S.; Siavashpouri, Mahsa; Nosarzewski, Benjamin

2016-06-01

This work will detail the effects of laser polarization direction (relative to the momentum transfer direction) on laser-assisted free-free scattering. Such processes play a role in the gas breakdown that occurs in electric discharges as well as providing a method for the laser heating of a plasma (Musa et al 2010 J. Phys. B: At. Mol. Opt. Phys. 43 175201, Mason 1993 Rep. Prog. Phys. 56 1275). Experimental results will be presented for electron-helium scattering in the presence of an Nd:YAG laser field (hν =1.17 eV) where the polarization direction was varied in a plane that is perpendicular to the scattering plane. To date, all of our experimental results are well described by the Kroll-Watson approximation (KWA) (Kroll and Watson 1973 Phys. Rev. A 8 804). The good agreement between our experiments and calculations using the KWA includes the case where the polarization is perpendicular to the momentum transfer direction, for which the KWA predicts vanishing cross section; other workers have found that the KWA tends to be inaccurate for cases where it predicts small cross sections (e.g. Musa et al 2010 J. Phys. B: At. Mol. Opt. Phys. 43 175201). We also present simulations of the effects that multiple scattering might have on experimental measurements. In particular, we examine conditions that are expected to be similar to those of the experiments reported by Wallbank and Holmes (Wallbank and Holmes 1993 Phys. Rev. A 48 R2515).

Orbital nodal surfaces: Topological challenges for density functionals

NASA Astrophysics Data System (ADS)

Aschebrock, Thilo; Armiento, Rickard; Kümmel, Stephan

2017-06-01

Nodal surfaces of orbitals, in particular of the highest occupied one, play a special role in Kohn-Sham density-functional theory. The exact Kohn-Sham exchange potential, for example, shows a protruding ridge along such nodal surfaces, leading to the counterintuitive feature of a potential that goes to different asymptotic limits in different directions. We show here that nodal surfaces can heavily affect the potential of semilocal density-functional approximations. For the functional derivatives of the Armiento-Kümmel (AK13) [Phys. Rev. Lett. 111, 036402 (2013), 10.1103/PhysRevLett.111.036402] and Becke88 [Phys. Rev. A 38, 3098 (1988), 10.1103/PhysRevA.38.3098] energy functionals, i.e., the corresponding semilocal exchange potentials, as well as the Becke-Johnson [J. Chem. Phys. 124, 221101 (2006), 10.1063/1.2213970] and van Leeuwen-Baerends (LB94) [Phys. Rev. A 49, 2421 (1994), 10.1103/PhysRevA.49.2421] model potentials, we explicitly demonstrate exponential divergences in the vicinity of nodal surfaces. We further point out that many other semilocal potentials have similar features. Such divergences pose a challenge for the convergence of numerical solutions of the Kohn-Sham equations. We prove that for exchange functionals of the generalized gradient approximation (GGA) form, enforcing correct asymptotic behavior of the potential or energy density necessarily leads to irregular behavior on or near orbital nodal surfaces. We formulate constraints on the GGA exchange enhancement factor for avoiding such divergences.

The role of pressure in rubber elasticity

NASA Astrophysics Data System (ADS)

Bower, A. F.; Weiner, J. H.

2004-06-01

We describe a series of molecular dynamics computations that reveal an intimate connection at the atomic scale between difference stress (which resists stretches) and pressure (which resists volume changes) in an idealized elastomer, in contrast to the classical theory of rubber elasticity. Our simulations idealize the elastomer as a "pearl necklace," in which the covalent bonds are stiff linear springs, while nonbonded atoms interact through a Lennard-Jones potential with energy εLJ and radius σLJ. We calculate the difference stress t11-(t22+t33)/2 and mean stress (t11+t22+t33)/3 induced by a constant volume extension in the x1 direction, as a function of temperature T and reduced density ρ*=NσIJ3/ν. Here, N is the number of atoms in the simulation cell and ν is the cell volume. Results show that for ρ*<1, the difference stress is purely entropic and is in good agreement with the classical affine network model of rubber elasticity, which neglects nonbonded interactions. However, data presented by van Krevelen [Properties of Polymers, 3rd ed. (Elsevier, Amsterdam, 1990), p. 79] indicate that rubber at standard conditions corresponds to ρ*=1.2. For ρ*>1, the system is entropic for kT/εLJ>2, but at lower temperatures the difference stress contains an additional energy component, which increases as ρ* increases and temperature decreases. Finally, the model exhibits a glass transition for ρ*=1.2 and kT/εLJ≈2. The atomic-scale processes responsible for generating stress are explored in detail. Simulations demonstrate that the repulsive portion of the Lennard-Jones potential provides a contribution σnbr>0 to the difference stress, the attractive portion provides σnba≈0, while the covalent bonds provide σb<0. In contrast, their respective contributions to the mean stress satisfy Πnbr<0, Πnba>0, and Πb<0. Analytical calculations, together with simulations, demonstrate that mean and difference stresses are related by σnbr=-AΠnbr, σb=BΠb, where is a measure of the anisotropy of the orientation of the covalent bonds, and A and B are coefficients that depend weakly on ρ* and temperature. For high values of ρ*, we find that |σnbr|≫|σb|, and in this regime our model predicts behavior that is in good agreement with experimental data of D.L. Quested et al. [J. Appl. Phys. 52, 5977 (1981)] for the influence of pressure on the difference stress induced by stretching solithane.

Direct Observation of Zitterbewegung in a Bose Einstein Condensate

DTIC Science & Technology

2013-07-03

Cremer S 1970 Physica 50 224–40 [3] Schliemann J, Loss D and Westervelt R M 2005 Phys. Rev. Lett. 94 206801 [4] Zawadzki W and Rusin T M 2011 J. Phys...Condens. Matter 23 143201 [5] Katsnelson M I, Novoselov K S and Geim A K 2006 Nature Phys. 2 620–5 [6] Ruostekoski J, Dunne G V and Javanainen J 2002

Extraction of Radiative and Nonradiative Rates in Sb Based Midwave Infrared Lasers Using a Novel Approach

DTIC Science & Technology

2008-03-18

Dawson,2 Sanjay Krishna ,2 and L. A. Vern Schlie3 1Boeing LTS, Albuquerque, New Mexico 87117, USA 2Center for High Technology Materials, University of...Vengurlekar, Phys. Rev. B 65, 045312 2002. 16 A. Lobad and L. A. Vern Schlie, J. Appl. Phys. 95, 97 2004. 17 A. Lobad and L. A. Vern Schlie, J. Appl. Phys

Optical Excitation Effects on Spin-Noise Spectroscopy in Semiconductors

DTIC Science & Technology

2011-04-01

Phys. JETP 33, 1053 (1971). 28G. L. Bir, A. G. Aronov, and G. E. Pikus, Sov. Phys. JETP 42, 705 (1976). 29R. I. Dzhioev, K. V. Kavokin, V. L. Korenev , M...W. Kim, Phys. Rev. B 66, 035207 (2002). 31R. I. Dzhioev, B. P. Zakharchenya, V. L. Korenev , D. Gammon, and D. S. Katzer, JETP Lett. 74, 182 (2001). 155204-7

Annual Gaseous Electronics Conference (44TH) Held in Albuquerque, New Mexico on 22-25 October 1991

DTIC Science & Technology

1992-05-01

Phys. Rev. A 38, 2471 (1988); J. E. Lawler et al., Phys. Rev. A 43, 4427 1991). T. J. Sommerer et al., Phys. Rev. A39, 6356 (1989). EA-2 Diagnostics and...Charged Ions with a Metal Surface.* F.W. MEYER, S.H. OVERBURY, CC. HAVENER, PA. ZEULMANS VAN EMMICHOVEN, and D.M. ZEHNER, ORNL -- Projectile K-Auger

Variable Access to Immediate Bedside Ultrasound in the Emergency Department

PubMed Central

Talley, Brad E.; Ginde, Adit A.; Raja, Ali S.; Sullivan, Ashley F.; Espinola, Janice A.; Camargo, Carlos A.

2011-01-01

Objective: Use of bedside emergency department (ED) ultrasound has become increasingly important for the clinical practice of emergency medicine (EM). We sought to evaluate differences in the availability of immediate bedside ultrasound based on basic ED characteristics and physician staffing. Methods: We surveyed ED directors in all 351 EDs in Colorado, Georgia, Massachusetts, and Oregon between January and April 2009. We assessed access to bedside ED ultrasound by the question: “Is bedside ultrasound available immediately in the ED?” ED characteristics included location, visit volume, admission rate, percent uninsured, total emergency physician full-time equivalents and proportion of EM board-certified (BC) or EM board-eligible (BE) physicians. Data analysis used chi-square tests and multivariable logistical regression to compare differences in access to bedside ED ultrasound by ED characteristics and staffing. Results: We received complete responses from 298 (85%) EDs. Immediate access to bedside ultrasound was available in 175 (59%) EDs. ED characteristics associated with access to bedside ultrasound were: location (39% for rural vs. 71% for urban, P<0.001); visit volume (34% for EDs with low volume [<1 patient/hour] vs. 79% for EDs with high volume [≥3 patients/hour], P<0.001); admission rate (39% for EDs with low [0–10%] admission rates vs. 84% for EDs with high [>20%] rates, P<0.001); and EM BC/BE physicians (26% for EDs with a low percentage [0–20%] vs.74% for EDs with a high percentage [≥80%], P<0.001). Conclusion: U.S. EDs differ significantly in their access to immediate bedside ultrasound. Smaller, rural EDs and those staffed by fewer EM BC/BE physicians more frequently lacked access to immediate bedside ultrasound in the ED. PMID:21691479

Antibacterial nanocomposites based on chitosan/Co-MCM as a selective and efficient adsorbent for organic dyes.

PubMed

Khan, Shahid Ali; Khan, Sher Bahadar; Kamal, Tahseen; Yasir, Muhammad; Asiri, Abdullah M

2016-10-01

Chitosan/cobalt-silica (Co-MCM) nanocomposites were synthesized for the purification of effluent by adding 5, 15 and 25mL of Co-MCM solution to the aqueous chitosan solution for the formation of chitosan/Co-MCM-5, chitosan/Co-MCM-15 and chitosan/Co-MCM-25, respectively. These different nanocomposites were characterized by FESEM, EDS, X-ray crystallography and IR spectrophotometer and employed for the adsorption of various dyes (methyl orange, acridine orange, indigo carmine and congo red). The respective nanocomposites showed good adsorption toward methyl orange, indigo carmine and congo red while all nanocomposites were inactive for acridine orange dye. Among the nanocomposites, chitosan/Co-MCM-15 showed the highest adsorption performance which might be due to ideal dispersion of Co-MCM inside the chitosan polymer host. Chitosan/Co-MCM-15 exhibited high adsorption for methyl orange as compared to indigo carmine. We have further checked the biological potential of chitosan/Co-MCM nanocomposites against gram positive and negative bacteria as well as multi drug resistant bacteria. The results favor the strongest bioactivities of chitosan/Co-MCM-15 against various gram positive and gram negative bacteria as well as multi drug resistant bacteria, which further suggest the ideal dispersion of Co-MCM in chitosan polymer host and is responsible for the improvement of both adsorption as well as biological performance. Copyright © 2016 Elsevier B.V. All rights reserved.

A functionalizable reverse thermal gel based on a polyurethane/PEG block copolymer

PubMed Central

Park, Daewon; Wu, Wei; Wang, Yadong

2010-01-01

Injectable reverse thermal gels have great potentials as biomaterials for tissue engineering and drug delivery. However, most existing gels lack functional groups that can be modified with biomolecules that can guide cell/material interactions. We created an amine-functionalized ABA block copolymer, poly(ethylene glycol)-poly(serinol hexamethylene urethane), or ESHU. This reverse thermal gel consists of a hydrophobic block (B): poly(serinol hexamethylene urethane) and a hydrophilic block (A): poly(ethylene glycol). The polymer was characterized by GPC, FTIR and 1H FTNMR. Rheological study demonstrated that ESHU solution in phosphate-buffered saline initiated phase transition at 32°C and reached maximum elastic modulus at 37°C. The in vitro degradation tests performed in PBS and cholesterol esterase solutions revealed that the polymer was hydrolyzable and the presence of cholesterol esterase greatly accelerated the hydrolysis. The in vitro cytotoxicity tests carried out using baboon smooth muscle cells demonstrated that ESHU had good cytocompatibility with cell viability indistinguishable from tissue culture treated polystyrene. Subcutaneous implantation in rats revealed well tolerated accurate inflammatory response with moderate ED-1 positive macrophages in the early stages, which largely resolved 4 weeks post-implantation. We functionalized ESHU with a hexapeptide, Ile-Lys-Val-Ala-Val-Ser (IKVAVS), which gelled rapidly at body temperature. We expect this new platform of functionalizable reverse thermal gels to provide versatile biomaterials in tissue engineering and regenerative medicine. PMID:20937526

Interfacial Energy Alignment at the ITO/Ultra-Thin Electron Selective Dielectric Layer Interface and Its Effect on the Efficiency of Bulk-Heterojunction Organic Solar Cells.

PubMed

Itoh, Eiji; Goto, Yoshinori; Saka, Yusuke; Fukuda, Katsutoshi

2016-04-01

We have investigated the photovoltaic properties of an inverted bulk heterojunction (BHJ) cell in a device with an indium-tin-oxide (ITO)/electron selective layer (ESL)/P3HT:PCBM active layer/MoOx/Ag multilayered structure. The insertion of only single layer of poly(diallyl-dimethyl-ammonium chloride) (PDDA) cationic polymer film (or poly(ethyleneimine) (PEI) polymeric interfacial dipole layer) and titanium oxide nanosheet (TN) films as an ESL effectively improved cell performance. Abnormal S-shaped curves were observed in the inverted BHJ cells owing to the contact resistance across the ITO/active layer interface and the ITO/PDDA/TN/active layer interface. The series resistance across the ITO/ESL interface in the inverted BHJ cell was successfully reduced using an interfacial layer with a positively charged surface potential with respect to ITO base electrode. The positive dipole in PEI and the electronic charge phenomena at the electrophoretic deposited TN (ED-TN) films on ITO contributed to the reduction of the contact resistance at the electrode interface. The surface potential measurement revealed that the energy alignment by the transfer of electronic charges from the ED-TN to the base electrodes. The insertion of the ESL with a large positive surface potential reduced the potential barrier for the electron injection at ITO/TN interface and it improved the photovoltaic properties of the inverted cell with an ITO/TN/active layer/MoOx/Ag structure.

Tortoiseshell or Polymer? Spectroscopic Analysis to Redefine a Purported Tortoiseshell Box with Gold Decorations as a Plastic Box with Brass.

PubMed

Pereira, António; Caldeira, Ana Teresa; Maduro, Belmira; Vandenabeele, Peter; Candeias, António

2016-01-01

The study and preservation of museum collections requires complete knowledge and understanding of constituent materials that can be natural, synthetic, or semi-synthetic polymers. In former times, objects were incorporated in museum collections and classified solely by their appearance. New studies, prompted by severe degradation processes or conservation-restoration actions, help shed light on the materiality of objects that can contradict the original information or assumptions. The selected case study presented here is of a box dating from the beginning of the 20th century that belongs to the Portuguese National Ancient Art Museum. Museum curators classified it as a tortoiseshell box decorated with gold applications solely on the basis of visual inspection and the information provided by the donor. This box has visible signs of degradation with white veils, initially assumed to be the result of biological degradation of a proteinaceous matrix. This paper presents the methodological rationale behind this study and proposes a totally non-invasive methodology for the identification of polymeric materials in museum artifacts. The analysis of surface leachates using (1)H and (13)C nuclear magnetic resonance (NMR) complemented by in situ attenuated total reflection infrared spectroscopy (ATR FT-IR) allowed for full characterization of the object s substratum. The NMR technique unequivocally identified a great number of additives and ATR FT-IR provided information about the polymer structure and while also confirming the presence of additives. The pressure applied during ATR FT-IR spectroscopy did not cause any physical change in the structure of the material at the level of the surface (e.g., color, texture, brightness, etc.). In this study, variable pressure scanning electron microscopy (VP-SEM-EDS) was also used to obtain the elemental composition of the metallic decorations. Additionally, microbiologic and enzymatic assays were performed in order to identify the possible biofilm composition and understand the role of microorganisms in the biodeterioration process. Using these methodologies, the box was correctly identified as being made of cellulose acetate plastic with brass decorations and the white film was identified as being composed mainly of polymer exudates, namely sulphonamides and triphenyl phosphate. © The Author(s) 2015.

Comment on "Generalization of the Kohn-Sham system that can represent arbitrary one-electron density matrices"

NASA Astrophysics Data System (ADS)

Piris, Mario; Pernal, Katarzyna

2017-10-01

van Dam [Phys. Rev. A 93, 052512 (2016), 10.1103/PhysRevA.93.052512] claims that the one-particle reduced density matrix (1RDM) of an interacting system can be represented by means of a single-determinant wave function of fictitious noninteracting particles. van Dam [Phys. Rev. A 93, 052512 (2016), 10.1103/PhysRevA.93.052512] introduced orbitals within a mean-field framework that produce energy levels similar to Hartree-Fock orbital energies, therefore he also claims that conventional analyses based on Koopmans' theorem are possible in 1RDM functional theory. In this Comment, we demonstrate that both claims are unfounded.

Devil's staircases and continued fractions in Josephson junctions

NASA Astrophysics Data System (ADS)

Shukrinov, Yu. M.; Medvedeva, S. Yu.; Botha, A. E.; Kolahchi, M. R.; Irie, A.

2013-12-01

Detailed numerical simulations of the IV characteristics of a Josephson junction under external electromagnetic radiation show the devil's staircase within different bias current intervals. We have found that the observed steps form very precisely continued fractions. Increase of the amplitude of the radiation shifts the devil's staircase to higher Shapiro steps. An algorithm for the appearance and detection of subharmonics with increasing radiation amplitude is proposed. We demonstrate that the subharmonic steps registered in the well-known experiments by Dayem and Wiegand [Phys. Rev. 155, 419 (1967), 10.1103/PhysRev.155.419] and Clarke [Phys. Rev. B 4, 2963 (1971), 10.1103/PhysRevB.4.2963] also form continued fractions.

Classical capacity of Gaussian thermal memory channels

NASA Astrophysics Data System (ADS)

De Palma, G.; Mari, A.; Giovannetti, V.

2014-10-01

The classical capacity of phase-invariant Gaussian channels has been recently determined under the assumption that such channels are memoryless. In this work we generalize this result by deriving the classical capacity of a model of quantum memory channel, in which the output states depend on the previous input states. In particular we extend the analysis of Lupo et al. [Phys. Rev. Lett. 104, 030501 (2010), 10.1103/PhysRevLett.104.030501 and Phys. Rev. A 82, 032312 (2010), 10.1103/PhysRevA.82.032312] from quantum limited channels to thermal attenuators and thermal amplifiers. Our result applies in many situations in which the physical communication channel is affected by nonzero memory and by thermal noise.

Comment on "Modified quantum-speed-limit bounds for open quantum dynamics in quantum channels"

NASA Astrophysics Data System (ADS)

Mirkin, Nicolás; Toscano, Fabricio; Wisniacki, Diego A.

2018-04-01

In a recent paper [Phys. Rev. A 95, 052118 (2017), 10.1103/PhysRevA.95.052118], the authors claim that our criticism, in Phys. Rev. A 94, 052125 (2016), 10.1103/PhysRevA.94.052125, to some quantum speed limit bounds for open quantum dynamics that appeared recently in literature are invalid. According to the authors, the problem with our analysis would be generated by an artifact of the finite-precision numerical calculations. We analytically show here that it is not possible to have any inconsistency associated with the numerical precision of calculations. Therefore, our criticism of the quantum speed limit bounds continues to be valid.

Mechanism of Pinhole Formation in Membrane Electrode Assemblies for PEM Fuel Cells

NASA Technical Reports Server (NTRS)

Stanic, Vesna; Hoberecht, Mark

2004-01-01

The pinhole formation mechanism was studied with a variety of MEAs using ex-situ and in-situ methods. The ex-situ tests included the MEA aging in oxygen and MEA heat of ignition. In-situ durability tests were performed in fuel cells at different operating conditions with hydrogen and oxygen. After the in-situ failure, MEAs were analyzed with an Olympus BX 60 optical microscope and Cambridge 120 scanning electron microscope. MEA chemical analysis was performed with an IXRF EDS microanalysis system. The MEA failure analyses showed that pinholes and tears were the MEA failure modes. The pinholes appeared in MEA areas where the membrane thickness was drastically reduced. Their location coincided with the stress concentration points, indicating that membrane creep was responsible for their formation. Some of the pinholes detected had contaminant particles precipitated within the membrane. This mechanism of pinhole formation was correlated to the polymer blistering.

Where Do Freestanding Emergency Departments Choose to Locate? A National Inventory and Geographic Analysis in Three States.

PubMed

Schuur, Jeremiah D; Baker, Olesya; Freshman, Jaclyn; Wilson, Michael; Cutler, David M

2017-04-01

We determine the number and location of freestanding emergency departments (EDs) across the United States and determine the population characteristics of areas where freestanding EDs are located. We conducted a systematic inventory of US freestanding EDs. For the 3 states with the highest number of freestanding EDs, we linked demographic, insurance, and health services data, using the 5-digit ZIP code corresponding to the freestanding ED's location. To create a comparison nonfreestanding ED group, we matched 187 freestanding EDs to 1,048 nonfreestanding ED ZIP codes on land and population within state. We compared differences in demographic, insurance, and health services factors between matched ZIP codes with and without freestanding EDs, using univariate regressions with weights. We identified 360 freestanding EDs located in 30 states; 54.2% of freestanding EDs were hospital satellites, 36.6% were independent, and 9.2% were not classifiable. The 3 states with the highest number of freestanding EDs accounted for 66% of all freestanding EDs: Texas (181), Ohio (34), and Colorado (24). Across all 3 states, freestanding EDs were located in ZIP codes that had higher incomes and a lower proportion of the population with Medicaid. In Texas and Ohio, freestanding EDs were located in ZIP codes with a higher proportion of the population with private insurance. In Texas, freestanding EDs were located in ZIP codes that had fewer Hispanics, had a greater number of hospital-based EDs and physician offices, and had more physician visits and medical spending per year than ZIP codes without a freestanding ED. In Ohio, freestanding EDs were located in ZIP codes with fewer hospital-based EDs. In Texas, Ohio, and Colorado, freestanding EDs were located in areas with a better payer mix. The location of freestanding EDs in relation to other health care facilities and use and spending on health care varied between states. Copyright © 2016 American College of Emergency Physicians. Published by Elsevier Inc. All rights reserved.

PREFACE: Wetting: introductory note

NASA Astrophysics Data System (ADS)

Herminghaus, S.

2005-03-01

The discovery of wetting as a topic of physical science dates back two hundred years, to one of the many achievements of the eminent British scholar Thomas Young. He suggested a simple equation relating the contact angle between a liquid surface and a solid substrate to the interfacial tensions involved [1], γlg cos θ = γsg - γsl (1) In modern terms, γ denotes the excess free energy per unit area of the interface indicated by its indices, with l, g and s corresponding to the liquid, gas and solid, respectively [2]. After that, wetting seems to have been largely ignored by physicists for a long time. The discovery by Gabriel Lippmann that θ may be tuned over a wide range by electrochemical means [3], and some important papers about modifications of equation~(1) due to substrate inhomogeneities [4,5] are among the rare exceptions. This changed completely during the seventies, when condensed matter physics had become enthusiastic about critical phenomena, and was vividly inspired by the development of the renormalization group by Kenneth Wilson [6]. This had solved the long standing problem of how to treat fluctuations, and to understand the universal values of bulk critical exponents. By inspection of the critical exponents of the quantities involved in equation~(1), John W Cahn discovered what he called critical point wetting: for any liquid, there should be a well-defined transition to complete wetting (i.e., θ = 0) as the critical point of the liquid is approached along the coexistence curve [7]. His paper inspired an enormous amount of further work, and may be legitimately viewed as the entrance of wetting into the realm of modern physics. Most of the publications directly following Cahn's work were theoretical papers which elaborated on wetting in relation to critical phenomena. A vast amount of interesting, and in part quite unexpected, ramifications were discovered, such as the breakdown of universality in thin film systems [8]. Simultaneously, a number of very specific and quantitative predictions were put forward which were aimed at direct experimental tests of the developed concepts [9]. Experimentally, wetting phenomena proved to be a rather difficult field of research. While contact angles seem quite easy to measure, deeper insight can only be gained by assessing the physical properties of minute amounts of material, as provided by the molecularly thin wetting layers. At the same time, the variations in the chemical potential relevant for studying wetting transitions are very small, such that system stability sometimes poses hard to solve practical problems. As a consequence, layering transitions in cryogenic systems were among the first to be thoroughly studied [10] experimentally, since they require comparably moderate stability. First-order wetting transitions were not observed experimentally before the early nineties, either in (cryogenic) quantum systems [11,12] or in binary liquid mixtures [13,14]. The first observation of critical wetting, a continuous wetting transition, in 1996 [15] was a major breakthrough [16]. In the meantime, a detailed seminal paper by Pierre Gilles de Gennes published in 1985 [17] had spurred a large number of new research projects which were directed to wetting phenomena other than those related to phase transitions. More attention was paid to non-equilibrium physics, as it is at work when oil spreads over a surface, or a liquid coating beads off (`dewets') from its support and forms a pattern of many individual droplets. This turned out to be an extremely fruitful field of research, and was more readily complemented by experimental efforts than was the case with wetting transitions. It was encouraging to find effects analogous to layering (as mentioned above) in more common systems such as oil films spreading on a solid support [18,19]. Long standing riddles such as the divergence of dissipation at a moving contact line were now addressed both theoretically and experimentally [20,21]. However, the requirements concerning resolution of the measurements, as well as the stability and cleanliness of the systems, were immense for the reasons mentioned above. The pronounced impact of impurities was already well-known from contact angle measurements, where one invariably observes quite significant hysteresis effects and history dependence of the measured angle due to minute substrate inhomogeneity. This is why pioneering work on characteristic patterns emerging upon dewetting of thin liquid films [22] opened a long lasting, and eventually very fruitful, controversy on the question whether the underlying mechanism was unstable surface waves [24] (which was unambiguously observed for the first time in 1996 [23]) or `just' nucleation from defects. By the mid-nineties, the physics of wetting had made its way into the canon of physical science topics in its full breadth. The number of fruitful aspects addressed by that time is far too widespread to be covered here with any ambition to completeness. The number of researchers turning to this field was continuously growing, and many problems had already been successfully resolved, and many questions answered. However, quite a number of fundamental problems remained, which obstinately resisted solution. Only a few shall be mentioned: There was no satisfactory explanation for triple point wetting [25], in particular for its ubiquity. The numerical values of contact line tensions in both theory and (very reproducible) experiments [26] were many orders of magnitude apart. In the particularly interesting field of structure formation, i.e., dewetting, there was no clear interpretation of many experimental results, and no possibility to distinguish with certainty between the different possible mechanisms. Furthermore, the impact of the rather strong non-linearities of the involved van der Waals forces was entirely unclear. In the more remote field of bionics, it was not clear how some plants manage to make liquids bead off so perfectly from their leaves. This list, which is of course far from complete, serves to illustrate the wide scope of open questions. At that time, research groups in Germany concerned with wetting phenomena gathered and finally applied for a priority programme on wetting and structure formation at interfaces, which obtained funding from the German Science Foundation [27]. This special issue is dedicated to the research carried out within this programme. It spans the period starting from spring 1998 until summer 2004, and is presented as a combination of review over that period and original presentation of the state-of-the-art at its end. Although only a very limited number of problems could be tackled within the programme, a few significant achievements could be attained. Some of these shall be highlighted: It could be shown that triple point wetting is a direct consequence of topographic substrate imperfection. By taking the bending energy of a solid slab on a rough substrate into account, accordance between theory [28] and experiment [29] was finally achieved. By applying scanning force microscopy to three phase contact lines, it could be shown that the `real' contact line tension is indeed much smaller than `observed' on macroscopic scale [39], and comes close to what is theoretically expected. In the field of structure formation by dewetting, unprecedented agreement between experiment [31], theory [32], and particularly careful simulations [33] was achieved. The underlying mechanisms could be clearly distinguished by means of Minkowski functionals. It could be shown both theoretically [34,35] and experimentally [36,37] that chemically patterned substrates give rise not only to a large variety of liquid morphologies, but that the latter can be manipulated and controlled in a precise manner. It was demonstrated that spherical (colloidal) beads may not only be used like surfactants as in Pickering emulsions, but that the resulting interface configurations may be applied to generate an amazing variety of well-controlled porous membranes, with a lot of potential applications [39]. This gives a flavour of the variety of topics addressed in the papers making up this issue. They are organized in five sections, each of which is opened with a short introduction explaining their mutual relation. For further access to the pertinent literature, the reader is referred to the references given in each article separately. References [1] Young T 1805 Philos. Trans. R. Soc. London 95 65 [2] Equation (1) is readily derived by demanding force balance at the contact line, where all three phases meet. [3] Lippmann G 1886 Anal. Chim. 48 776 [4] Cassie A B D and Baxter S 1944 Trans. Faraday Soc. 40 546 [5] Wenzel R N 1949 J. Phys. Chem. 53 1466 [6] Wilson K G 1971 Phys. Rev. B 4 3174 and 3184 [7] Cahn J W 1977 J. Chem. Phys. 66 3667 [8] See, for example Dietrich S and Schick M 1986 Phys. Rev. B 33 4952 [9] See, for example Cheng E et al 1991 Phys. Rev. Lett. 67 1007 [10] Dash J G and Ruvalds J (ed) 1980 Phase Transitions in Surface Films (NATO advanced study series vol B51) (New York: Plenum) [11] Nacher P J and Dupont-Roc J 1991 Phys. Rev. Lett. 67 2966 [12] Rutledge J E and Taborek P 1992 Phys. Rev. Lett. 69 937 [13] Bonn D, Kellay H and Wegdam G H 1992 Phys. Rev. Lett. 69 1975 [14] Bonn D, Kellay H and Wegdam G H 1993 J. Chem. Phys. 99 7115 [15] Ragil K et al 1996 Phys. Rev. Lett. 77 1532 [16] Findenegg G H and Herminghaus S 1997 Curr. Opin. Colloid Interface Sci. 2 301 [17] de Gennes P G 1985 Rev. Mod. Phys. 57 827 [18] Heslot F, Fraysse N and Cazabat A M 1989 Nature 338 1289 [19] Fraysse N et al 1993 J. Colloid Int. Sci. 158 27 [20] Huh C and Scriven L E 1971 J. Colloid Int. Sci. 35 85 [21] Brochard F et al 1994 Langmuir 10 1566 [22] Reiter G 1992 Phys. Rev. Lett. 68 75 [23] Bischof J et al 1996 Phys. Rev. Lett. 77 1536 [24] Ruckenstein E and Jain R K 1974 J. Chem. Soc. Faraday Trans. II 70 132 [25] Herminghaus S et al 1997 Annal. Phys. 6 425 [26] Li D and Neumann A W 1990 Colloids Surf. 43 195 [27] Deutsche Forschungsgemeinschaft, Schwerpunktprogramm 1052, `Benetzung und Strukturbildung an Grenzflächen' [28] Esztermann A and Löwen H 2005 J. Phys.: Condens. Matter 17 S429 [29] Sohaili M et al 2005 J. Phys.: Condens. Matter 17 S415 [30] Pompe T and Herminghaus S 2000 Phys. Rev. Lett. 85 1930 [31] Seemann R et al 2005 J. Phys.: Condens. Matter 17 S267 [32] Herminghaus S et al 1998 Science 282 916 [33] Becker J and Gr\\"un G 2005 J. Phys.: Condens. Matter 17 S291 [34] Lipowsky R \\etal 2005 J. Phys.: Condens. Matter 17 S537 [35] Dietrich S et al 2005 J. Phys.: Condens. Matter 17 S577 [36] Gau H et al 19999 Science 283 46 [37] Mugele F \\etal 2005 J. Phys.: Condens. Matter 17 S559 [38] Pfohl T et al 2003 Chem. Phys. Chem. 4 1291 [39 Xu H et al 2005 J. Phys.: Condens. Matter 17 S465

Electron transport parameters in NF3

NASA Astrophysics Data System (ADS)

Lisovskiy, V.; Yegorenkov, V.; Ogloblina, P.; Booth, J.-P.; Martins, S.; Landry, K.; Douai, D.; Cassagne, V.

2014-03-01

We present electron transport parameters (the first Townsend coefficient, the dissociative attachment coefficient, the fraction of electron energy lost by collisions with NF3 molecules, the average and characteristic electron energy, the electron mobility and the drift velocity) in NF3 gas calculated from published elastic and inelastic electron-NF3 collision cross-sections using the BOLSIG+ code. Calculations were performed for the combined RB (Rescigno 1995 Phys. Rev. E 52 329, Boesten et al 1996 J. Phys. B: At. Mol. Opt. Phys. 29 5475) momentum-transfer cross-section, as well as for the JB (Joucoski and Bettega 2002 J. Phys. B: At. Mol. Opt. Phys. 35 783) momentum-transfer cross-section. In addition, we have measured the radio frequency (rf) breakdown curves for various inter-electrode gaps and rfs, and from these we have determined the electron drift velocity in NF3 from the location of the turning point in these curves. These drift velocity values are in satisfactory agreement with those calculated by the BOLSIG+ code employing the JB momentum-transfer cross-section.

Density profile and breathing mode of strongly correlated spherical Yukawa plasmas

NASA Astrophysics Data System (ADS)

Henning, Christian; Fujioka, Kenji; Ludwig, Patrick; Bonitz, Michael

2007-11-01

The structure of ``Yukawa balls,'' i.e. spherical 3D dust crystals, which recently have been produced [1], is well explained by computer simulations of charged Yukawa interacting particles within an external parabolic confinement [2]. Dynamical properties (e.g. breathing mode) of these systems were investigated by experiment, simulations as well as theoretically by using the ansatz of a uniform ground state density [3]. Here we show analytically that screening has a dramatic effect on the density profile which decreases away from the center [4,5] and which is in excellent agreement with MD simulations of Yukawa balls. This result is used to improve former calculations of the breathing mode [6].References[1] O. Arp et al. Phys. Rev. Lett. 93, 165004 (2004)[2] M. Bonitz et al., Phys. Rev. Lett. 96, 075001 (2006)[3] T. E. Sheridan, Phys. Plasmas 13, 022106 (2006)[4] C. Henning et al., Phys. Rev. E 74, 056403 (2006)[5] C. Henning at al., Phys. Rev. E (2007)[6] C. Henning at al., submitted for publication

Improved Shell models for screened Coulomb balls

NASA Astrophysics Data System (ADS)

Bonitz, M.; Kaehlert, H.; Henning, C.; Baumgartner, H.; Filinov, A.

2006-10-01

Spherical Coulomb crystals in dusty plasmas [1] are well described by an isotropic Yukawa-type pair interaction and an external parabolic confinement as was shown by extensive molecular dynamics simulations [2]. A much simpler description is possible with analytical shell models which have been derived for Yukawas plasmas in [3,4]. Here we analyze improved Yukawa shell models which include correlations along the lines proposed for Coulomb crystals in [5]. The shell configurations are efficiently evaluated using a Monte Carlo procedure. [1] O. Arp, A. Piel and A. Melzer, Phys. Rev. Lett. 93, 165004 (2004). [2] M. Bonitz, D. Block, O. Arp, V. Golunychiy, H. Baumgartner, P. Ludwig, A. Piel and A. Filinov, Phys. Rev. Lett. 96, 075001 (2006). [3] H. Totsuji, C. Totsuji, T. Ogawa, and K. Tsuruta, Phys. Rev. E 71, 045401 (2005). [4] C. Henning, M. Bonitz, A. Piel, P. Ludwig, H. Baumgartner, V. Golubnichiy, and D. Block, submitted to Phys. Rev. E [5] W.D. Kraeft and M. Bonitz, J. Phys. Conf. Ser. 35, 94 (2006).

Controlling the optical bistability in a multi-level atomic system via similar parameters of quantum well nanostructure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jafarzadeh, H., E-mail: h-jafarzadeh56@yahoo.com

2015-04-28

The spontaneously generated coherence (SGC) effects on optical bistability (OB) are investigated in a five-level K-type system. It is found that SGC makes the system phase dependent. Thus, the OB and the absorption behavior of the system can be controlled by the relation phase of applied fields. In addition, the pump field intensity effect on the OB behavior is discussed. The experimental viability of the model in semiconductor quantum well system is also discussed [A. V. Germanenko et al., J. Phys.: Conf. Ser. 376, 012024 (2012); D. S. Chemla et al., IEEE J. Quantum Electron. 20(3), 265 (1984); L. V.more » Butov et al., J. Exp. Theor. Phys. 88(5), 1036 (1999); J. F. Dynes et al., Phys. Rev. Lett. 94, 157403 (2005); S. Schmitt-Rinka et al., Adv. Phys. 38(2), 89 (1989); and H. W. Liu et al., Appl. Phys. Lett. 54, 2082 (1989)].« less

PUBLISHER'S ANNOUNCEMENT: Important changes for 2008

NASA Astrophysics Data System (ADS)

2008-01-01

This issue, the first of 2008, sees a new innovation for Journal of Physics G: Nuclear and Particle Physics (J. Phys. G). J. Phys. G has moved from page numbering to an article numbering system, which offers important advantages to our authors. It increases flexibility and speeds up the publication process as papers in different issues or subject sections can now be published online as soon as they are ready, without having to wait for a whole issue or section to be allocated page numbers. The bibliographic citation style will therefore change for articles published from now on. Articles should be referenced using the six-digit article number in place of a page number. Please note that this number must include any leading zeros. For example: Smith J et al 2008 J. Phys. G: Nucl. Part. Phys. 35 015045 If you have any questions or comments about our new scheme, please contact us at http://jphysg@iop.org J. Phys. G Publishing Team

Proceedings of the High Energy Density Matter (HEDM) Conference Held in New Orleans, Louisiana on 12-15 March 1989

DTIC Science & Technology

1989-07-01

distance in a planar arrangement of ArH3 , with the argon directly above the apical hydrogen. Matcha and 3, Milleur’ confined their calculations for...Phys. .11, 27 (1976). 7. W. J. Stevens, H-. Basch, and M. Krauss, J. Chem. Phys. il 6026 (1984). 8. R. L. Matcha , and Mac B. Milleur, J. Chem. Phys. f2

Generalized statistical complexity measures: Geometrical and analytical properties

NASA Astrophysics Data System (ADS)

Martin, M. T.; Plastino, A.; Rosso, O. A.

2006-09-01

We discuss bounds on the values adopted by the generalized statistical complexity measures [M.T. Martin et al., Phys. Lett. A 311 (2003) 126; P.W. Lamberti et al., Physica A 334 (2004) 119] introduced by López Ruiz et al. [Phys. Lett. A 209 (1995) 321] and Shiner et al. [Phys. Rev. E 59 (1999) 1459]. Several new theorems are proved and illustrated with reference to the celebrated logistic map.

Silicide Formation and Schottky Barrier of Rare-Earth Metals on SI

DTIC Science & Technology

1983-09-30

1981). 4. K. N. Tu, R. D. Thompson and B. Y. Tsaur, App]. Phys. Lett. 38, 626 (1981). 5. H. Norde, J. de Sousa Pires, F. d’Heurle, F. Pesavento , S...Phys. Lett. 38, 626 (1981). 7. H. Plarde, J. de ’’uis Pires, F. dI’Heurle, F. Pesavento , S. Petersson and P. A. Tove, ;!.Phys. L.ett. 38, 865 (1981

Analytical results for a conditional phase shift between single-photon pulses in a nonlocal nonlinear medium

NASA Astrophysics Data System (ADS)

Viswanathan, Balakrishnan; Gea-Banacloche, Julio

2018-03-01

It has been suggested that second-order nonlinearities could be used for quantum logic at the single-photon level. Specifically, successive two-photon processes in principle could accomplish the phase shift (conditioned on the presence of two photons in the low-frequency modes) |011 〉→i |100 〉→-|011 〉 . We have analyzed a recent scheme proposed by Xia et al. [Phys. Rev. Lett. 116, 023601 (2016)], 10.1103/PhysRevLett.116.023601 to induce such a conditional phase shift between two single-photon pulses propagating at different speeds through a nonlinear medium with a nonlocal response. We present here an analytical solution for the most general case, i.e., for an arbitrary response function, initial state, and pulse velocity, which supports their numerical observation that a π phase shift with unit fidelity is possible, in principle, in an appropriate limit. We also discuss why this is possible in this system, despite the theoretical objections to the possibility of conditional phase shifts on single photons that were raised some time ago by Shapiro [Phys. Rev. A 73, 062305 (2006)], 10.1103/PhysRevA.73.062305 and by Gea-Banacloche [Phys. Rev. A 81, 043823 (2010)], 10.1103/PhysRevA.81.043823 one of us.

Ir-192 HDR transit dose and radial dose function determination using alanine/EPR dosimetry

NASA Astrophysics Data System (ADS)

Guzmán Calcina, Carmen S.; de Almeida, Adelaide; Oliveira Rocha, José R.; Abrego, Felipe Chen; Baffa, Oswaldo

2005-03-01

Source positioning close to the tumour in high dose rate (HDR) brachytherapy is not instantaneous. An increment of dose will be delivered during the movement of the source in the trajectory to its static position. This increment is the transit dose, often not taken into account in brachytherapeutic treatment planning. The transit dose depends on the prescribed dose, number of treatment fractions, velocity and activity of the source. Combining all these factors, the transit dose can be 5% higher than the prescribed absorbed dose value (Sang-Hyun and Muller-Runkel, 1994 Phys. Med. Biol. 39 1181 8, Nath et al 1995 Med. Phys. 22 209 34). However, it cannot exceed this percentage (Nath et al 1995). In this work, we use the alanine-EPR (electron paramagnetic resonance) dosimetric system using analysis of the first derivative of the signal. The transit dose was evaluated for an HDR system and is consistent with that already presented for TLD dosimeters (Bastin et al 1993 Int. J. Radiat. Oncol. Biol. Phys. 26 695 702). Also using the same dosimetric system, the radial dose function, used to evaluate the geometric dose degradation around the source, was determined and its behaviour agrees better with those obtained by Monte Carlo simulations (Nath et al 1995, Williamson and Nath 1991 Med. Phys. 18 434 48, Ballester et al 1997 Med. Phys. 24 1221 8, Ballester et al 2001 Phys. Med. Biol. 46 N79 90) than with TLD measurements (Nath et al 1990 Med. Phys. 17 1032 40).

Ir-192 HDR transit dose and radial dose function determination using alanine/EPR dosimetry.

PubMed

Calcina, Carmen S Guzmán; de Almeida, Adelaide; Rocha, José R Oliveira; Abrego, Felipe Chen; Baffa, Oswaldo

2005-03-21

Source positioning close to the tumour in high dose rate (HDR) brachytherapy is not instantaneous. An increment of dose will be delivered during the movement of the source in the trajectory to its static position. This increment is the transit dose, often not taken into account in brachytherapeutic treatment planning. The transit dose depends on the prescribed dose, number of treatment fractions, velocity and activity of the source. Combining all these factors, the transit dose can be 5% higher than the prescribed absorbed dose value (Sang-Hyun and Muller-Runkel, 1994 Phys. Med. Biol. 39 1181-8, Nath et al 1995 Med. Phys. 22 209-34). However, it cannot exceed this percentage (Nath et al 1995). In this work, we use the alanine-EPR (electron paramagnetic resonance) dosimetric system using analysis of the first derivative of the signal. The transit dose was evaluated for an HDR system and is consistent with that already presented for TLD dosimeters (Bastin et al 1993 Int. J. Radiat. Oncol. Biol. Phys. 26 695-702). Also using the same dosimetric system, the radial dose function, used to evaluate the geometric dose degradation around the source, was determined and its behaviour agrees better with those obtained by Monte Carlo simulations (Nath et al 1995, Williamson and Nath 1991 Med. Phys. 18 434-48, Ballester et al 1997 Med. Phys. 24 1221-8, Ballester et al 2001 Phys. Med. Biol. 46 N79-90) than with TLD measurements (Nath et al 1990 Med. Phys. 17 1032-40).

The time-dependence of the defective nature of ice Ic (cubic ice) and its implications for atmospheric science

NASA Astrophysics Data System (ADS)

Sippel, Christian; Koza, Michael M.; Hansen, Thomas C.; Kuhs, Werner F.

2010-05-01

The possible atmospheric implication of ice Ic (cubic ice) has already been suggested some time ago in the context of snow crystal formation [1]. New findings from air-borne measurements in cirrus clouds and contrails have put ice Ic into the focus of interest to understand the so-called "supersaturation puzzle" [2,3,4]. Our recent microstructural work on ice Ic [5,6] appears to be highly relevant in this context. We have found that ice Ic is characterized by a complex stacking fault pattern, which changes as a function of temperature as well as time. Indeed, from our own [7] and other group's work [8] one knows that (in contrast to earlier believe) ice Ic can form up to temperatures at least as high as 240K - thus in the relevant range for cirrus clouds. We have good preliminary evidence that the "cubicity" (which can be related to stacking fault probabilities) as well as the particle size of ice Ic are the relevant parameters for this correlation. The "cubicity" of stacking faulty ice Ic (established by diffraction) correlates nicely with the increased supersaturation at decreasing temperatures observed in cirrus clouds and contrails, a fact, which may be considered as further evidence for the presence of ice Ic. Recently, we have studied the time-dependency of the changes in both "cubicity" and particle size at various temperatures of relevance for cirrus clouds and contrails by in-situ neutron powder diffraction. The timescales over which changes occur (several to many hours) are similar to the life-time of cirrus clouds and contrails and suggest that the supersaturation situation may change within this time span in the natural environment too. Some accompanying results obtained by cryo-SEM (scanning electron microscopy) work will also be presented and suggest that stacking-faulty ice Ic has kinky surfaces providing many more active centres for heterogeneous reactions on the surface than in the usually assumed stable hexagonal form of ice Ih with its rather flat low-indexed crystal faces. [1] T Kobayashi & T Kuroda (1987) Snow Crystals. In: Morphology of Crystals (ed. I Sunagawa), Terra Scientific Publishing, Tokyo, pp.649-743. [2] RS Gao & 19 other authors (2004) Evidence that nitric acid increases relative humidity in low-temperature cirrus clouds. Science 303, 516-520. [3] T Peter, C Marcolli, P Spichtinger, T Corti, MC Baker & T Koop (2006) When dry air is too humid. Science 314, 1399-1402. [4] JE Shilling, MA Tolbert, OB Toon, EJ Jensen, BJ Murray & AK Bertram (2006) Measurements of the vapor pressure of cubic ice and their implications for atmospheric ice clouds. Geophys.Res.Lett. 33, 026671. [5] TC Hansen, MM Koza & WF Kuhs (2008) Formation and annealing of cubic ice: I Modelling of stacking faults. J.Phys.Cond.Matt. 20, 285104. [6] TC Hansen, MM Koza, P Lindner & WF Kuhs (2008) Formation and annealing of cubic ice: II. Kinetic study. J.Phys.Cond.Matt. 20, 285105. [7] WF Kuhs, G Genov, DK Staykova & AN Salamatin, T Hansen (2004) Ice perfection and the onset of anomalous preservation of gas hydrates. Phys.Chem.Chem.Phys. 6, 4917-4920. [8] BJ Murray, DA Knopf & AK Bertram (2005) The formation of cubic ice under conditions relevant to Earth's atmosphere. Nature 434, 292-205.

Families of quantum fingerprinting protocols

NASA Astrophysics Data System (ADS)

Lovitz, Benjamin; Lütkenhaus, Norbert

2018-03-01

We introduce several families of quantum fingerprinting protocols to evaluate the equality function on two n -bit strings in the simultaneous message passing model. The original quantum fingerprinting protocol uses a tensor product of a small number of O (logn ) -qubit high-dimensional signals [H. Buhrman et al., Phys. Rev. Lett. 87, 167902 (2001), 10.1103/PhysRevLett.87.167902], whereas a recently proposed optical protocol uses a tensor product of O (n ) single-qubit signals, while maintaining the O (logn ) information leakage of the original protocol [J. M. Arazola and N. Lütkenhaus, Phys. Rev. A 89, 062305 (2014), 10.1103/PhysRevA.89.062305]. We find a family of protocols which interpolate between the original and optical protocols while maintaining the O (logn ) information leakage, thus demonstrating a tradeoff between the number of signals sent and the dimension of each signal. There has been interest in experimental realization of the recently proposed optical protocol using coherent states [F. Xu et al., Nat. Commun. 6, 8735 (2015), 10.1038/ncomms9735; J.-Y. Guan et al., Phys. Rev. Lett. 116, 240502 (2016), 10.1103/PhysRevLett.116.240502], but as the required number of laser pulses grows linearly with the input size n , eventual challenges for the long-time stability of experimental setups arise. We find a coherent state protocol which reduces the number of signals by a factor 1/2 while also reducing the information leakage. Our reduction makes use of a simple modulation scheme in optical phase space, and we find that more complex modulation schemes are not advantageous. Using a similar technique, we improve a recently proposed coherent state protocol for evaluating the Euclidean distance between two real unit vectors [N. Kumar et al., Phys. Rev. A 95, 032337 (2017), 10.1103/PhysRevA.95.032337] by reducing the number of signals by a factor 1/2 and also reducing the information leakage.

Emergency department characteristics and capabilities in Beijing, China.

PubMed

Wen, Leana S; Xu, Jun; Steptoe, Anne P; Sullivan, Ashley F; Walline, Joseph H; Yu, Xuezhong; Camargo, Carlos A

2013-06-01

Emergency Departments (EDs) are a critical, yet heterogeneous, part of international emergency care. We sought to describe the characteristics, resources, capabilities, and capacity of EDs in Beijing, China. Beijing EDs accessible to the general public 24 h per day/7 days per week were surveyed using the National ED Inventories survey instrument (www.emnet-nedi.org). ED staff were asked about ED characteristics during the calendar year 2008. Thirty-six EDs participated (88% response rate). All were located in hospitals and were independent hospital departments. Participating EDs saw a median of 80,000 patients (interquartile range 40,000-118,508). The vast majority (91%; 95% confidence interval [CI] 78-98%) had a contiguous layout, with medical and surgical care provided in one area. Most EDs (55%) saw only adults; 39% saw both adults and children, and 6% saw only children. Availability of technological and consultant resource in EDs was high. The typical ED length of stay was between 1 and 6 h in 49% of EDs (95% CI 32-67%), whereas in the other half, patients reportedly remained for over 6 h; 36% (95% CI 21-54%) of respondents considered their ED over capacity. Beijing EDs have high volume, long length of stay, and frequent reports of EDs being over capacity. To meet its rapidly growing health needs in urban areas, China should consider improving urban ED capacity and training more Emergency Medicine specialists capable of efficiently staffing its crowded EDs. Copyright © 2013 Elsevier Inc. All rights reserved.

Informing Intervention Strategies to Reduce Energy Drink Consumption in Young People: Findings From Qualitative Research.

PubMed

Francis, Jacinta; Martin, Karen; Costa, Beth; Christian, Hayley; Kaur, Simmi; Harray, Amelia; Barblett, Ann; Oddy, Wendy Hazel; Ambrosini, Gina; Allen, Karina; Trapp, Gina

2017-10-01

To determine young people's knowledge of energy drinks (EDs), factors influencing ED consumption, and intervention strategies to decrease ED consumption in young people. Eight group interviews with young people (aged 12-25 years). Community groups and secondary schools in Perth, Western Australia. Forty-one young people, 41% of whom were male and 73% of whom consumed EDs. Factors influencing ED consumption and intervention strategies informed by young people to reduce ED consumption. Two researchers conducted a qualitative content analysis on the data using NVivo software. Facilitators of ED consumption included enhanced energy, pleasant taste, low cost, peer pressure, easy availability, and ED promotions. Barriers included negative health effects, unpleasant taste, high cost, and parents' disapproval. Strategies to reduce ED consumption included ED restrictions, changing ED packaging, increasing ED prices, reducing visibility in retail outlets, and research and education. Because many countries allow the sale of EDs to people aged <18 years, identifying ways to minimize potential harm from EDs is critical. This study provided unique insights into intervention strategies suggested by young people to reduce ED consumption. In addition to more research and education, these strategies included policy changes targeting ED sales, packaging, price, and visibility. Future research might examine the feasibility of implementing such interventions. Copyright © 2017 Society for Nutrition Education and Behavior. Published by Elsevier Inc. All rights reserved.

Effects of molecular structure on microscopic heat transport in chain polymer liquids

DOE Office of Scientific and Technical Information (OSTI.GOV)

Matsubara, Hiroki, E-mail: matsubara@microheat.ifs.tohoku.ac.jp; Kikugawa, Gota; Ohara, Taku

2015-04-28

In this paper, we discuss the molecular mechanism of the heat conduction in a liquid, based on nonequilibrium molecular dynamics simulations of a systematic series of linear- and branched alkane liquids, as a continuation of our previous study on linear alkane [T. Ohara et al., J. Chem. Phys. 135, 034507 (2011)]. The thermal conductivities for these alkanes in a saturated liquid state at the same reduced temperature (0.7T{sub c}) obtained from the simulations are compared in relation to the structural difference of the liquids. In order to connect the thermal energy transport characteristics with molecular structures, we introduce the newmore » concept of the interatomic path of heat transfer (atomistic heat path, AHP), which is defined for each type of inter- and intramolecular interaction. It is found that the efficiency of intermolecular AHP is sensitive to the structure of the first neighbor shell, whereas that of intramolecular AHP is similar for different alkane species. The dependence of thermal conductivity on different lengths of the main and side chain can be understood from the natures of these inter- and intramolecular AHPs.« less

Changes of the optical characteristics of radiochromic films in the transition from EBT3 to EBT-XD films.

PubMed

Schoenfeld, Andreas A; Wieker, Soeren; Harder, Dietrich; Poppe, Bjoern

2016-07-01

A new type of radiochromic film, the EBT-XD film, has been introduced with the aim to reduce the orientation effect and the lateral response artifact occurring in the use of radiochromic films together with flatbed scanners. The task of the present study is to quantify the changes of optical characteristics involved with the transition from the well-known EBT3 films to the new EBT-XD films, using the optical bench arrangement already applied by Schoenfeld et al (2014 Phys. Med. Biol. 59 3575-97). Largely reduced polarization effects and the almost complete loss of the anisotropy of the scattered light produced in a radiation-exposed film have been observed. The Rayleigh-Debye-Gans theory is used to understand these optical changes as arising from the reduced length-to-width ratio of the LiPCDA polymer crystals in the active layer of the EBT-XD film. The effect of these changes on the flatbed scanning artifacts will be shortly addressed, but treated in more detail in a further paper.

Stiff Filamentous Viruses Probe the Mobility of Counterions During Nanopore Translocations

NASA Astrophysics Data System (ADS)

McMullen, Angus; Tang, Jay; Stein, Derek

2015-03-01

We study the electrophoresis of two different filamentous viruses and double-stranded DNA through solid-state nanopores. The two viruses we examine, fd and M13, are both 880 nm in length, 6.6 nm in diameter, very stiff, and monodisperse. They only differ in their linear charge density, which is 30 % lower for M13 than for fd. Filamentous viruses are therefore ideal for testing transport models and for comparisons with DNA dynamics. We find that the mean translocation speed of fd virus is related to the nanopore diameter, D, and the virus diameter, d, as ln(D / d) - 1 , in agreement with the conventional electrokinetic model of translocations. In order to obtain quantitative agreement between that electrokinetic model and the measured translocation dynamics, however, one must conclude that the mobility of counterions within a few Angstroms of the polymer surface is strongly reduced from the bulk value. Similar reductions in counterion mobility near fd, M13, and dsDNA explain their dynamics over a wide range of ionic strengths. This work was supported by NSF Grant CBET0846505, NSF Grant PHYS1058375 and Oxford Nanopore Technologies.

Effects of molecular structure on microscopic heat transport in chain polymer liquids.

PubMed

Matsubara, Hiroki; Kikugawa, Gota; Bessho, Takeshi; Yamashita, Seiji; Ohara, Taku

2015-04-28

In this paper, we discuss the molecular mechanism of the heat conduction in a liquid, based on nonequilibrium molecular dynamics simulations of a systematic series of linear- and branched alkane liquids, as a continuation of our previous study on linear alkane [T. Ohara et al., J. Chem. Phys. 135, 034507 (2011)]. The thermal conductivities for these alkanes in a saturated liquid state at the same reduced temperature (0.7Tc) obtained from the simulations are compared in relation to the structural difference of the liquids. In order to connect the thermal energy transport characteristics with molecular structures, we introduce the new concept of the interatomic path of heat transfer (atomistic heat path, AHP), which is defined for each type of inter- and intramolecular interaction. It is found that the efficiency of intermolecular AHP is sensitive to the structure of the first neighbor shell, whereas that of intramolecular AHP is similar for different alkane species. The dependence of thermal conductivity on different lengths of the main and side chain can be understood from the natures of these inter- and intramolecular AHPs.

Changes of the optical characteristics of radiochromic films in the transition from EBT3 to EBT-XD films

NASA Astrophysics Data System (ADS)

Schoenfeld, Andreas A.; Wieker, Soeren; Harder, Dietrich; Poppe, Bjoern

2016-07-01

A new type of radiochromic film, the EBT-XD film, has been introduced with the aim to reduce the orientation effect and the lateral response artifact occurring in the use of radiochromic films together with flatbed scanners. The task of the present study is to quantify the changes of optical characteristics involved with the transition from the well-known EBT3 films to the new EBT-XD films, using the optical bench arrangement already applied by Schoenfeld et al (2014 Phys. Med. Biol. 59 3575-97). Largely reduced polarization effects and the almost complete loss of the anisotropy of the scattered light produced in a radiation-exposed film have been observed. The Rayleigh-Debye-Gans theory is used to understand these optical changes as arising from the reduced length-to-width ratio of the LiPCDA polymer crystals in the active layer of the EBT-XD film. The effect of these changes on the flatbed scanning artifacts will be shortly addressed, but treated in more detail in a further paper.

Determination by Small-angle X-ray Scattering of Pore Size Distribution in Nanoporous Track-etched Polycarbonate Membranes

NASA Astrophysics Data System (ADS)

Jonas, A. M.; Legras, R.; Ferain, E.

1998-03-01

Nanoporous track-etched membranes with narrow pore size distributions and average pore size diameters tunable from 100 to 1000 Åare produced by the chemical etching of latent tracks in polymer films after irradiation by a beam of accelerated heavy ions. Nanoporous membranes are used for highly demanding filtration purposes, or as templates to obtain metallic or polymeric nanowires (L. Piraux et al., Nucl. Instr. Meth. Phys. Res. 1997, B131, 357). Such applications call for developments in nanopore size characterization techniques. In this respect, we report on the characterization by small-angle X-ray scattering (SAXS) of nanopore size distribution (nPSD) in polycarbonate track-etched membranes. The obtention of nPSD requires inverting an ill-conditioned inhomogeneous equation. We present different numerical routes to overcome the amplification of experimental errors in the resulting solutions, including a regularization technique allowing to obtain the nPSD without a priori knowledge of its shape. The effect of deviations from cylindrical pore shape on the resulting distributions are analyzed. Finally, SAXS results are compared to results obtained by electron microscopy and conductometry.

Adolescent energy drink consumption: An Australian perspective.

PubMed

Costa, Beth M; Hayley, Alexa; Miller, Peter

2016-10-01

Caffeinated Energy Drinks (EDs) are not recommended for consumption by children, yet there is a lack of age-specific recommendations and restrictions on the marketing and sale of EDs. EDs are increasingly popular among adolescents despite growing evidence of their negative health effects. In the current study we examined ED consumption patterns among 399 Australian adolescents aged 12-18 years. Participants completed a self-report survey of consumption patterns, physiological symptoms, and awareness of current ED consumption guidelines. Results indicated that ED consumption was common among the sample; 56% reported lifetime ED consumption, with initial consumption at mean age 10 (SD = 2.97). Twenty-eight percent of the sample consumed EDs at least monthly, 36% had exceeded the recommended two standard EDs/day, and 56% of consumers had experienced negative physiological health effects following ED consumption. The maximum number of EDs/day considered appropriate for children, adolescents, and adults varied, indicating a lack of awareness of current consumption recommendations. These findings add to the growing body of international evidence of adolescent ED consumption, and the detrimental impact of EDs to adolescent health. Enforced regulation and restriction of EDs for children's and adolescents' consumption is urgently needed in addition to greater visibility of ED consumption recommendations. Copyright © 2016 Elsevier Ltd. All rights reserved.

Quantum Phases of Matter in Optical Lattices

DTIC Science & Technology

2015-06-30

doi: 10.1103/PhysRevA.89.013625 Hyungwon Kim, David A. Huse. Ballistic Spreading of Entanglement in a Diffusive Nonintegrable System, Physical...Review B, (07 2013): 0. doi: 10.1103/PhysRevB.88.014206 Lin Dong, Lei Jiang, Han Pu. Fulde–Ferrell pairing instability in spin–orbit coupled Fermi...PhysRevA.87.051603 Kuei Sun, C. J. Bolech. Pair tunneling, phase separation, and dimensional crossover in imbalanced fermionic superfluids in a coupled

Proposed Experiment in Two-Qubit Linear Optical Photonic Gates for Maximal Success Rates

DTIC Science & Technology

2012-01-01

Phys. Rev. A 72 032307 [10] Kwiat P G, Waks E White A G, Applebaum I and Eberhaard P E 1999 Phys. Rev. A 60 R773–6 [11] Barz S, Cronenberg G, Zeilinger ...17] Reck M, Zeilinger A, Bernstein H J and Bertani P 1994 Phys. Rev. Lett. 73 58 [18] Thompson M G, Politi A, Matthews J C F and O’Brien J L 2011 IET

Ultraviolet Photoionization Efficiency of the Vaporized Ionic Liquid 1-Butyl-3-Methylimidazolium Tricyanomethanide: Direct Detection of the Intact Ion Pair (Post Print)

DTIC Science & Technology

2012-09-21

Lovelock , K. R. J.; Satterly, C. J.; Villar-Garcia, I. J. Phys. Chem. Chem. Phys. 2007, 9, 982−990. (11) Strasser, D.; Goulay, F.; Kelkar, M. S.; Maginn, E...J.; Leone, S. R. J. Phys. Chem. A 2007, 111, 3191−3915. (12) Lovelock , K. R. J.; Deyko, A.; Corfield, J.-A.; Gooden, P. N.; Licence, P.; Jones, R. G

Comment on "Comparative study of ab initio nonradiative recombination rate calculations under different formalisms"

NASA Astrophysics Data System (ADS)

Wickramaratne, Darshana; Shen, Jimmy-Xuan; Alkauskas, Audrius; Van de Walle, Chris G.

2018-02-01

In a recent article [Phys. Rev. B 91, 205315 (2015), 10.1103/PhysRevB.91.205315] Shi, Xu, and Wang presented a comparison of several formalisms to calculate nonradiative recombination rates and concluded the "one-dimensional (1D) quantum formula" that was used by Alkauskas et al. [Phys. Rev. B 90, 075202 (2014), 10.1103/PhysRevB.90.075202] is insufficient to accurately describe nonradiative capture rates. Our analysis of the results of Shi, Xu, and Wang indicates that their conclusions about the 1D quantum formula are unfounded and stem from an error in their calculations. Our own calculations demonstrate that the 1D quantum formula approach yields reliable and accurate results for nonradiative recombination rates.

Addendum: New approach to the resummation of logarithms in Higgs-boson decays to a vector quarkonium plus a photon [Phys. Rev. D 95, 054018 (2017)

DOE PAGES

Bodwin, Geoffrey T.; Chung, Hee Sok; Ee, June-Haak; ...

2017-12-20

In this addendum to Phys. Rev. D 95, 054018 (2017) we recompute the rates for the decays of the Higgs boson to a vector quarkonium plus a photon, where the vector quarkonium is J/psi, Upsilon(1S) Upsilon(2S). We correct an error in the Abel-Pad'e summation formula that was used to carry out the evolution of the quarkonium light-cone distribution amplitude in Phys. Rev. D 95, 054018 (2017). We also correct an error in the scale of quarkonium wave function at the origin in Phys. Rev. D 95, 054018 (2017) and introduce several additional refinements in the calculation.

Analysis of photon count data from single-molecule fluorescence experiments

NASA Astrophysics Data System (ADS)

Burzykowski, T.; Szubiakowski, J.; Rydén, T.

2003-03-01

We consider single-molecule fluorescence experiments with data in the form of counts of photons registered over multiple time-intervals. Based on the observation schemes, linking back to works by Dehmelt [Bull. Am. Phys. Soc. 20 (1975) 60] and Cook and Kimble [Phys. Rev. Lett. 54 (1985) 1023], we propose an analytical approach to the data based on the theory of Markov-modulated Poisson processes (MMPP). In particular, we consider maximum-likelihood estimation. The method is illustrated using a real-life dataset. Additionally, the properties of the proposed method are investigated through simulations and compared to two other approaches developed by Yip et al. [J. Phys. Chem. A 102 (1998) 7564] and Molski [Chem. Phys. Lett. 324 (2000) 301].

Addendum: New approach to the resummation of logarithms in Higgs-boson decays to a vector quarkonium plus a photon [Phys. Rev. D 95, 054018 (2017)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bodwin, Geoffrey T.; Chung, Hee Sok; Ee, June-Haak

In this addendum to Phys. Rev. D 95, 054018 (2017) we recompute the rates for the decays of the Higgs boson to a vector quarkonium plus a photon, where the vector quarkonium is J/psi, Upsilon(1S) Upsilon(2S). We correct an error in the Abel-Pad'e summation formula that was used to carry out the evolution of the quarkonium light-cone distribution amplitude in Phys. Rev. D 95, 054018 (2017). We also correct an error in the scale of quarkonium wave function at the origin in Phys. Rev. D 95, 054018 (2017) and introduce several additional refinements in the calculation.

Emergency department characteristics and capabilities in Bogotá, Colombia.

PubMed

Bustos, Yury; Castro, Jenny; Wen, Leana S; Sullivan, Ashley F; Chen, Dinah K; Camargo, Carlos A

2015-12-01

Emergency departments (EDs) are a critical, yet heterogeneous, part of international emergency care. The National ED Inventories (NEDI) survey has been used in multiple countries as a standardized method to benchmark ED characteristics. We sought to describe the characteristics, resources, capabilities, and capacity of EDs in the densely populated capital city of Bogotá, Colombia. Bogotá EDs accessible to the general public 24/7 were surveyed using the 23-item NEDI survey used in several other countries ( www.emnet-nedi.org ). ED staff were asked about ED characteristics with reference to calendar year 2011. Seventy EDs participated (82 % response). Most EDs (87 %) were located in hospitals, and 83 % were independent hospital departments. The median annual ED visit volume was approximately 50,000 visits. Approximately 90 % (95 % confidence interval (CI) 80-96 %) had a contiguous layout, with medical and surgical care provided in one area. Almost all EDs saw both adults and children (91 %), while 6 % saw only adults and 3 % saw only children. Availability of technological and consultant resources in EDs was variable. Nearly every ED had cardiac monitoring (99 %, 95 % CI 92-100 %), but less than half had a dedicated CT scanner (39 %, 95 % CI 28-52 %). While most EDs were able to treat trauma 24/7 (81 %, 95 % CI 69-89 %), few could manage oncological (22 %, 95 % CI 13-34 %) or dental (3 %, 95 % CI 0-11 %) emergencies 24/7. The typical ED length-of-stay was between 1 and 6 h in 59 % of EDs (95 % CI, 46-70 %), while most others reported that patients remained for >6 h (39 %). Almost half of respondents (46 %, 95 % CI 34-59 %) reported their ED was over capacity. Bogotá EDs have high annual visit volumes and long length-of-stay, and half are over capacity. To meet the emergency care needs of people in Bogotá and other large cities, Colombia should consider improving urban ED capacity and training more emergency medicine specialists capable of efficiently staffing its large and crowded EDs.

Melting curve of materials: theory versus experiments

NASA Astrophysics Data System (ADS)

Alfè, D.; Vocadlo, L.; Price, G. D.; Gillan, M. J.

2004-04-01

A number of melting curves of various materials have recently been measured experimentally and calculated theoretically, but the agreement between different groups is not always good. We discuss here some of the problems which may arise in both experiments and theory. We also report the melting curves of Fe and Al calculated recently using quantum mechanics techniques, based on density functional theory with generalized gradient approximations. For Al our results are in very good agreement with both low pressure diamond-anvil-cell experiments (Boehler and Ross 1997 Earth Planet. Sci. Lett. 153 223, Hänström and Lazor 2000 J. Alloys Compounds 305 209) and high pressure shock wave experiments (Shaner et al 1984 High Pressure in Science and Technology ed Homan et al (Amsterdam: North-Holland) p 137). For Fe our results agree with the shock wave experiments of Brown and McQueen (1986 J. Geophys. Res. 91 7485) and Nguyen and Holmes (2000 AIP Shock Compression of Condensed Matter 505 81) and the recent diamond-anvil-cell experiments of Shen et al (1998 Geophys. Res. Lett. 25 373). Our results are at variance with the recent calculations of Laio et al (2000 Science 287 1027) and, to a lesser extent, with the calculations of Belonoshko et al (2000 Phys. Rev. Lett. 84 3638). The reasons for these disagreements are discussed.

Tunneling Splittings in Vibronic Structure of CH_3F^+ ( X^2E): Studied by High Resolution Photoelectron Spectra and AB Initio Theoretical Method

NASA Astrophysics Data System (ADS)

Mo, Yuxiang; Gao, Shuming; Dai, Zuyang; Li, Hua

2013-06-01

We report a combined experimental and theoretical study on the vibronic structure of CH_3F^+. The results show that the tunneling splittings of vibrational energy levels occur in CH_3F^+ due to the Jahn-Teller effect. Experimentally, we have measured a high resolution ZEKE spectrum of CH_3F up to 3500 cm^-^1 above the ground state. Theoretically, we performed an ab initio calculation based on the diabatic model. The adiabatic potential energy surfaces (APES) of CH_3F^+ have been calculated at the MRCI/CAS/avq(t)z level and expressed by Taylor expansions with normal coordinates as variables. The energy gradients for the lower and upper APES, the derivative couplings between them and also the energies of the APES have been used to determine the coefficients in the Taylor expansion. The spin-vibronic energy levels have been calculated by accounting all six vibrational modes and their couplings. The experimental ZEKE spectra were assigned based on the theoretical calculations. W. Domcke, D. R. Yarkony, and H. Köpple (Eds.), Conical Intersections: Eletronic Structure, Dynamics and Spectroscopy (World Scientific, Singapore, 2004). M. S. Schuurman, D. E. Weinberg, and D. R. Yarkony, J. Chem. Phys. 127, 104309 (2007).

Superconducting Magnet Shielding of Astronauts from Cosmic Rays

NASA Astrophysics Data System (ADS)

Fisher, Peter; Hoffman, Jeffrey; Zhou, Feng; Batishchev, Oleg

2004-11-01

Protecting astronauts traveling outside the Earth's protective magnetic field from cosmic and solar radiation [1] is one of the critical problems that must be solved in order to realize the nation's new human space exploration vision. Superconducting magnets, such as those under construction for the ATLAS experiment [2] at CERN, have achieved sufficient size to be able to surround a reasonable habitable volume, and their field strength is high enough to deflect a significant portion of the incoming radiation. We have undertaken a research effort aimed at developing an accurate numerical model of a crew compartment surrounded by a large magnetic field, with which we can calculate the effect on incoming charged particles. We will use this model to optimize the magnetic configuration to produce the maximum shielding effect while minimizing the mass of the superconducting magnet system. We are also investigating some of the practical problems that must be solved if large, superconducting magnet systems are to be incorporated into human space systems. We will present preliminary results of our modeling, showing the reduction of radiation exposure as a function of energy and atomic species. [1] Review of Particle Physics, Ed. Particle Data Group, Phys. Lett. B, 1-4 (592) 1-1109, 2004 [2] http://atlasexperiment.org/

Effects of Using a Neuroeducational Intervention to Enhance Perseverance for Online EdD and EdS Students

ERIC Educational Resources Information Center

Cadle, Charles R.

2013-01-01

Developing and maintaining a "completion mindset" is a necessary mental condition for online educational doctorate (EdD) and educational specialist (EdS) students to obtain their advanced degrees. The purpose of this research study was to examine the effect of a neuroeducational intervention on a volunteer convenience sample of EdD and…

Increased risk of osteoporosis in patients with erectile dysfunction

PubMed Central

Wu, Chieh-Hsin; Lu, Ying-Yi; Chai, Chee-Yin; Su, Yu-Feng; Tsai, Tai-Hsin; Tsai, Feng-Ji; Lin, Chih-Lung

2016-01-01

Abstract In this study, we aimed to investigate the risk of osteoporosis in patients with erectile dysfunction (ED) by analyzing data from the Taiwan National Health Insurance Research Database (NHIRD). From the Taiwan NHIRD, we analyzed data on 4460 patients aged ≥40 years diagnosed with ED between 1996 and 2010. In total, 17,480 age-matched patients without ED in a 1:4 ratio were randomly selected as the non-ED group. The relationship between ED and the risk of osteoporosis was estimated using Cox proportional hazard regression models. During the follow-up period, 264 patients with ED (5.92%) and 651 patients without ED (3.65%) developed osteoporosis. The overall incidence of osteoporosis was 3.04-fold higher in the ED group than in the non-ED group (9.74 vs 2.47 per 1000 person-years) after controlling for covariates. Compared with patients without ED, patients with psychogenic and organic ED were 3.19- and 3.03-fold more likely to develop osteoporosis. Our results indicate that patients with a history of ED, particularly younger men, had a high risk of osteoporosis. Patients with ED should be examined for bone mineral density, and men with osteoporosis should be evaluated for ED. PMID:27368024

Spectroscopy of LiCa and RbSr Molecules on Helium Nanodroplets

NASA Astrophysics Data System (ADS)

Lackner, Florian; Krois, Gunter; Ernst, Wolfgang E.

2013-06-01

We report on the investigation of mixed alkali metal (Ak) - alkaline earth metal (Ake) molecules on the surface of helium nanodroplets (He_{N}). These molecules have recently attracted considerable attention as candidates for the formation of ultracold molecules with a magnetic and an electronic dipole moment. In our experiments, LiCa and RbSr molecules are formed in a sequential pick-up process in their X^{2}Σ^{+} ground state and cool down rapidly to the droplet temperature of 0.38 K. Excitation spectra of LiCa and RbSr were recorded by using resonance enhanced multi-photon ionization time-of-flight (REMPI-TOF) spectroscopy and laser induced fluorescence (LIF) spectroscopy. On the helium droplet, vibronic transitions in Ak-Ake molecules are broadened and show a characteristic asymmetric peak form, which is caused by the interaction between the molecule and the superfluid He_{N} environment. For the lower electronic transitions in LiCa and RbSr progressions of vibrational bands excited from the X^{2}Σ^{+} (ν'' = 0) state are observed. The LiCa spectra can be compared to molecular beam experiments, which enables the assignment of three band systems near 15260 cm^{-1}, 19300 cm^{-1} and 22120 cm^{-1} as ^{2}Σ^{+}, ^{2}Π_{Ω} and ^{2}Π band, respectively. In the RbSr excitation spectrum we observe a vibrationally resolved band system near 14020 cm^{-1}. Upon electronic excitation, a fraction of the molecules desorb from the droplet surface and dispersed fluorescence spectra allow to study the X^{2}Σ^{+} ground state and excited states of free Ak-Ake molecules. H. Hara, Y. Takasu, Y. Yamaoka, J.M. Doyle, Y. Takahashi, Phys. Rev. Lett. 106, 205304 (2011) C. Callegari and W. E. Ernst, Helium Droplets as Nanocryostats for Molecular Spectroscopy - from the Vacuum Ultraviolet to the Microwave Regime, in: Handbook of High-Resolution Spectroscopy, eds. M. Quack and F. Merkt, John Wiley & Sons, Chichester, (2011) L. M. Russon, G. K. Rothschopf, M. D. Morse, A. I. Boldyrev, J. Simons, J. Chem. Phys. 109, 6655-6665 (1998)

ICPP: Beltrami fields in plasmas -- H-mode boundary layers and high beta equilibria

NASA Astrophysics Data System (ADS)

Yoshida, Zensho

2000-10-01

The Beltrami fields, eigenfunctions of the curl operator, represent essential characteristics of twisted, spiral, chiral or helical structures in various vector fields. Amongst diverse applications of the theory of Beltrami fields, the present paper focuses on the self-organized states of plasmas. The Taylor relaxed state is the principal example of self-organized Beltrami fields. Suppose that a plasma is produced in an external magnetic field (harmonic field). If we do not apply any drive, the plasma will disappear and the system will relax into the harmonic magnetic field. When we drive a current and sustain the total helicity, the plasma relaxes into the Taylor state and achieves the Beltrami magnetic field. When a strong flow is implemented to a plasma, self-organized states becomes qualitatively different from the conventional relaxed stats. The two-fluid effect induces a coupling among the flow, magnetic field, electric field and the pressure, resulting in a "singular perturbation" to the MHD system. To invoke this effect, one must supply a driving force to sustain a strong flow. It is equivalent to giving an internal electric field or applying a steep gradient in pressure, because these fields are tightly coupled. In the two-fluid model, the Beltrami condition demands that the vorticity parallels the flow in both electron and ion fluids. We find that a superposition of two Beltrami magnetic fields (and also two Beltrami flows) solves the simultaneous two-fluid Beltrami conditions [1]. Despite this simple mathematical structure, the set of solutions contains field configurations that are far richer than the conventional theory. The hydrodynamic pressure of a shear flow yields a diamagnetic state that is suitable for confining a high-beta plasma. The H-mode boundary layer is an example, which is spontaneously generated by the core plasma pressure [2]. Active control of shear flow will significantly extend the scope of such self-organized states [3]. [1] S. M. Mahajan and Z. Yoshida, Phys. Rev. Lett. 81, 4863 (1998). [2] S. M. Mahajan and Z. Yoshida, Phys. Plasmas 7, 635 (2000). [3] Z. Yoshida et al., in Non-Neutral Plasma Physics III (ed. J.J. Bollinger, AIP, 1999), 397.

A Randomized Controlled Trial of a Citywide Emergency Department Care Coordination Program to Reduce Prescription Opioid Related ED Visits

PubMed Central

Paulozzi, Leonard J.; Howell, Donelle; McPherson, Sterling; Murphy, Sean M.; Grohs, Becky; Marsh, Linda; Lederhos, Crystal; Roll, Jon

2017-01-01

Background Increasing prescription overdose deaths have demonstrated the need for safer ED prescribing practices for patients who are frequent ED users. Objectives We hypothesized that the care of frequent ED users would improve using a citywide care coordination program combined with an ED care coordination information system, as measured by fewer ED visits by and decreased controlled substance prescribing to these patients. Methods We conducted a multi-site randomized controlled trial (RCT) across all EDs in a metropolitan area. 165 patients with the most ED visits for complaints of pain were randomized. For the treatment arm, drivers of ED use were identified by medical record review. Patients and their primary care providers were contacted by phone. Each patient was discussed at a community multidisciplinary meeting where recommendations for ED care were formed. The ED care recommendations were stored in an ED information exchange system that faxed them to the treating ED provider when the patient presented to the ED. The control arm was subjected to treatment as usual. Results The intervention arm experienced a 34% decrease (IRR = 0.66, p < 0.001; 95% CI: 0.57 – 0.78) in ED visits and an 80% decrease (OR = 0.21, p = 0.001) in the odds of receiving an opioid prescription from the ED relative to the control group. Declines of 43.7%, 53.1%, 52.9%, and 53.1% were observed in the treatment group for morphine milligram equivalents, controlled substance pills, prescriptions, and prescribers. Conclusion This RCT showed the effectiveness of a citywide ED care coordination program in reducing ED visits and controlled substance prescribing. PMID:27624507

The case study of biomaterials and biominerals

NASA Astrophysics Data System (ADS)

Del Hoyo Martínez, Carmen

2013-04-01

The teaching of biomaterials as case study by on-line platform , susceptible to develop both individually and in groups, got different objectives proposed by the European Higher Education System, among which include: participate actively in the teaching-learning process by students, interpreting situations, adapt processes and solutions. It also improves oral and written communication, analytical skills and synthesis and also the ability to think critically. Biomaterials have their origin in biominerals. These are solid inorganic compounds of defined structure, consisting of molecular control mechanisms that operate in biological systems. Its main functions are: structural support, a reservoir of essential elements, sensors, mechanical protection and storage of toxic elements. Following the demand of materials compatible with certain functional systems of our body, developed biomaterials. Always meet the condition of biocompatibility. Should be tolerated by the body and do not provoke rejection. This involves a comprehensive study of physiological conditions and the anatomy of the body where a biomaterial has to be implemented. The possibility of generating new materials from biominerals has a major impact in medicine and other fields could reach as geology, construction, crystallography, etc. While the study of these issues is in its infancy today, can be viewed as an impact on the art and future technology. Planning case study that students would prepare its report for discussion in subgroups. Occurs then the pooling of individual analysis, joint case discussion and adoption by the subgroup of a consensual solution to the problem. The teacher as facilitator and coordinator of the final case analysis, sharing leads to group-wide class and said the unanimous decision reached by the students and gives his opinion on the resolution of the case. REFERENCES D.P. Ausubel. Psicología Educativa. Un punto de vista cognoscitivo. Trillas. Ed. 1983. E.W. Eisner. Procesos cognitivos y currículum. Una base para decidir lo que hay que enseñar. Martínez Roca Ed. 1987. C.O. Oriakhi. Polymer Nanocomposition Approach to Advanced Materials, Journal of Chemical Education. Vol. 77. 2000. 9-16. G. Lagaly & T. J. Pinnavaia.Clay Mineral-Polymer Nanocomposites, Applied Clay Science. Vol. 5. 1999. G. Gibbs. Changing lecturer's conceptions of teaching and learning through action research,. SRHE Press, 1995.

State Regulation Of Freestanding Emergency Departments Varies Widely, Affecting Location, Growth, And Services Provided.

PubMed

Gutierrez, Catherine; Lindor, Rachel A; Baker, Olesya; Cutler, David; Schuur, Jeremiah D

2016-10-01

Freestanding emergency departments (EDs), which offer emergency medical care at sites separate from hospitals, are a rapidly growing alternative to traditional hospital-based EDs. We evaluated state regulations of freestanding EDs and describe their effect on the EDs' location, staffing, and services. As of December 2015, thirty-two states collectively had 400 freestanding EDs. Twenty-one states had regulations that allowed freestanding EDs, and twenty-nine states did not have regulations that applied specifically to such EDs (one state had hospital regulations that precluded them). State policies regarding freestanding EDs varied widely, with no standard requirements for location, staffing patterns, or clinical capabilities. States requiring freestanding EDs to have a certificate of need had fewer of such EDs per capita than states without such a requirement. For patients to better understand the capabilities and costs of freestanding EDs and to be able to choose the most appropriate site of emergency care, consistent state regulation of freestanding EDs is needed. Project HOPE—The People-to-People Health Foundation, Inc.

Modulated plasma deposition of super hydrophobic fluorinated coatings

NASA Astrophysics Data System (ADS)

Favia, Pietro

2002-10-01

Modulated (pulsed) RF glow discharges fed with unsaturated fluorocarbons originate often films with superior characteristics and remarkable monomer structure retention degree. Properties such as low dielectric constant, low friction coefficient, high flexibility and high hydrophobic character can be granted by such coatings, as well as applications in textiles, packaging, biomaterials, microelectronics and other fields [1-4]. Albeit the surface chemistry of fluorinated films has been extensively analysed, very few works deal with the investigation of the plasma phase and of the material morphology and crystalline. We present our last results on the plasma deposition of coatings from modulated glow discharges fed with tetrafluoroethylene. Period and Duty Cycle (DC) have been changed in the range 20-200 ms and 2-100%, respectively. Chemical composition and structure of the coatings were determined by means of XPS, SIMS, FT-IR and XRD measurements; SEM and AFM allowed morphological investigations. The diagnostics of the gas phase was carried out by time resolved (TR) OES [5] and by IR-AS diagnostics [6]. At low DC (< 10%) a unique morphology is observed at the surface of the films, in form of ribbon-like features many microns long and hundreds of nanometers wide, whose surface density increases at lower DC values. XPS has been used to determine the surface fluorine to carbon ratio of the coatings; best-fitting procedures of the C1s signals have been also carried out. XPS and SIMS results show a high F/C ratio and a chemical structure close to conventional PTFE for samples with ribbon-like features. Due to the combined presence of structures and high fluorination degree, structured surfaces revealed very high hydrophobic character (Water Contact Angle > 150^o). XRD patterns of the structured coatings exhibited a diffraction peak at 2Θ = 18^o, characteristic of crystalline PTFE [4, 6]; this finding, and the presence of the structures, open questions about the deposition mechanism of such unique materials, which still need to be rationalized. In order to understand the deposition mechanism of unstructured and structured coatings, spectroscopic diagnostics of the plasma phase has been carried out by TR-OES and IR-AS. TR-OES results reveals only CF2 emitting radicals (A16B_1-X^1A1 230-340 nm; ^3B_1-^1A1 340-450 nm systems), whose evolution trends during time on of the discharge are clearly dependent on the DC value. TR-OES allowed to distinguish between two different deposition regimes which give origin (low DC) or not (high DC) to structured coatings, respectively. References [1] V. Panchalingam, B. Poon, H.H. Huo, C.R. Savage, R.B. Timmons, R.C. Eberhart; J. Biomat. Sci. Polym. Ed. 5, (1993) 131, [2] S.J. Limb, K.K. Gleason, D.J. Edell, E.F. Gleason; J. Vac. Sci. Tech. A 15, (1997) 1814, [3] S.R. Coulson, I.S. Woodward, S.A. Brewer, C.Willis, J.P.S. Badyal; Chem. Mater. 12, (2000) 2031, [4] S.J. Limb, K.K.S. Lau, D.J. Edell, E.F. Gleason, K.K. Gleason; Plasmas and Polymers 4, (1999) 21 [5] M. Creatore, F. Palumbo, R. d'Agostino P. Fayet - Surface & Coatings Technology 142, (2001) 163 [6] G. Cicala, A. Milella, F. Palumbo, P. Favia and R. d'Agostino Appl. Phys. Lett. (submitted)

Optical second harmonic spectroscopy of silicon-adsorbate surfaces and silicon nanocrystals

NASA Astrophysics Data System (ADS)

Downer, Michael

2002-03-01

Second harmonic generation (SHG) provides a surface-specific, noninvasive probe of adsorbates. However, microscopic first-principles theory of adsorbate-specific spectroscopic SHG responses has proven elusive. Here we present experimental SHG spectra for six well-characterized, technologically important Si(001) surfaces in ultrahigh vacuum (UHV): clean Si(001)-2x1 and Si(001) terminated with hydrogen (H), [1] germanium (Ge), Ge and H, [2] boron (B) and B and H. [3] Each adsorbate (combination) alters SHG uniquely. Our microscopic theories based on ab initio pseudopotential or semi-empirical tight-binding (SETB) methods then explain observed trends, and predict new features in unexplored spectral regions. [3,4] Charge transfer among surface bonds is found to govern SHG spectroscopy of surface-adsorbate systems strongly. New results on SHG from Si nanocrystals embedded in SiO2 will also be presented. [5] SHG is sensitive to Si/SiO2 interface states, electrostatic charge on the nanocrystals, and macroscopic particle density gradients. Finally, a new frequency-domain interferometric second-harmonic (FDISH) spectroscopic technique to measure simultaneously the intensity and phase of SH radiation over a broad spectral range without laser tuning will be described. [6] 1. J. Dadap et al., Phys. Rev. B 56, 13367 (1997). 2. P. Parkinson et al., Appl. Phys. B 68, 641 (1999). 3. D. Lim et al., Phys. Rev. Lett. 84, 3406 (2000); Appl. Phys. Lett. 77, 181 (2000). 4. V. Gavrilenko et al., Phys. Rev. B 63, 1653 (2001); M. C. Downer et al., Surf. Interface Anal. 31, 966 (2001); M. C. Downer et al., phys. stat. sol. (a), in press (2001). 5. Y. Jiang et al., Appl. Phys. Lett. 78, 766 (2001). 6. P. T. Wilson et al., Opt. Lett. 24, 496 (1999).

Weak Hydrogen Bonds from Aliphatic and Fluorinated Alocohols to Molecular Nitrogen Detected by Supersonic Jet FTIR Spectroscopy

NASA Astrophysics Data System (ADS)

Oswald, Soenke; Suhm, Martin A.

2017-06-01

Complexes of organic molecules with the main component of earth's atmosphere are of interest, also for a stepwise understanding of the phenomenon of matrix isolation. Via its large quadrupole moment, nitrogen binds strongly to polarized OH groups in hydrogen-bonded dimers. Further complexation leads to a smooth spectral transition from free to embedded molecules which we probe in supersonic jets. Results for 1,1,1,3,3,3-hexafluoro-2-propanol, methanol, t-butyl alcohol, and the conformationally more complex ethanol are presented and assigned with the help of quantum chemical calculations. Kuma, S., Slipchenko, M. N., Kuyanov, K. E., Momose, T., Vilesov, A. F., Infrared Spectra and Intensities of the H_2O and N_2 Complexes in the Range of the ν_1- and ν_3-Bands of Water, J. Phys. Chem. A, 2006, 110, 10046-10052. Coussan, S., Bouteiller, Y., Perchard, J. P., Zheng, W. Q., Rotational Isomerism of Ethanol and Matrix Isolation Infrared Spectroscopy, J. Phys. Chem. A, 1998, 102, 5789-5793. Suhm, M. A., Kollipost, F., Femtisecond single-mole infrared spectroscopy of molecular clusters, Phys. Chem. Chem. Phys., 2013, 15, 10702-10721. Larsen, R. W., Zielke, P., Suhm, M. A., Hydrogen bonded OH stretching modes of methanol clusters: a combined IR and Raman isotopomer study, J. Chem. Phys., 2007, 126, 194307. Zimmermann, D., Häber, T., Schaal, H., Suhm, M. A., Hydrogen bonded rings, chains and lassos: The case of t-butyl alcohol clusters, Mol. Phys., 2001, 99, 413-425. Wassermann, T. N., Suhm, M. A., Ethanol Monomers and Dimers Revisited: A Raman Study of Conformational Preferences and Argon Nanocoating Effects, J. Phys. Chem. A, 2010, 114, 8223-8233.

Executive dysfunction post-stroke: an insight into the perspectives of physiotherapists.

PubMed

Hayes, Sara; Donnellan, Claire; Stokes, Emma

2015-01-01

To gain an understanding of physiotherapy practice in relation to executive dysfunction (ED) post-stroke. Three focus groups were conducted using semi-structured interview schedules to highlight how ED post-stroke was understood by 12 physiotherapists with greater than 1 year of experience working in the area of stroke care. The focus group data were analysed using qualitative data analysis. The themes extracted from the data on physiotherapists' self-reported knowledge of ED post-stroke were: physiotherapists' lack of knowledge of ED post-stroke; current physiotherapy practice regarding ED post-stroke; the negative impact of ED on physiotherapy rehabilitation post-stroke and the future learning needs of physiotherapists regarding ED post-stroke. Current results demonstrate that ED has negative implications for physiotherapy rehabilitation post-stroke. Although further interdisciplinary research is warranted, the present results suggest that physiotherapists should be aware of the presence of ED in people post-stroke and develop strategies to minimise the impact of ED on physiotherapy rehabilitation. Implications for Rehabilitation Physiotherapists report a lack of knowledge of ED post-stroke and a requirement for future learning and training regarding the optimal management of people with ED undergoing physiotherapy rehabilitation post-stroke. ED has negative implications for physiotherapy rehabilitation post-stroke and physiotherapists should be aware of the presence of ED in people post-stroke and develop strategies to minimise the impact of ED on physiotherapy rehabilitation.

Association between reported screening and counseling about energy drinks and energy drink intake among U.S. adolescents.

PubMed

Kumar, Gayathri Suresh; Park, Sohyun; Onufrak, Stephen

2014-02-01

Possible adverse health consequences of excessive energy drink (ED) consumption have led to recommendations by the American Academy of Pediatrics discouraging ED intake by youth. However, limited information on ED counseling by health care providers exists. Data was obtained from the 2011 YouthStyles Survey administered to youth aged 12-17 (n=815). The outcome variable was ED consumption (none vs. ≥1 time/week) and exposure variables were screening and counseling about ED (if doctor/nurse asked about ED consumption and if doctor/nurse recommended against ED consumption). Approximately 8.5% of youth consumed energy drinks weekly, 11.5% reported being asked by their doctor/nurse about frequency of ED consumption, and 11.1% were advised by their doctor/nurse against ED intake. Multivariable logistic regression analysis revealed that the odds for drinking ED ≥1 time/week was significantly higher in youth who were asked how often they drank ED by their doctor/nurse (odds ratio=2.46) vs. those who were not asked. About 1 in 9 youth reported receiving counseling discouraging ED consumption from their doctor/nurse, and a greater proportion of youth who were screened about ED also reported ED consumption. Efforts by health care providers to educate youth about potential harms of consuming ED are needed. Published by Elsevier Ireland Ltd.

Investigation of Plasma Processes in Electronic Transition Lasers

DTIC Science & Technology

1985-05-30

Faraday Trans. II (in press) " H . Helvajian and C. Wittig, Appl. Phys. Lett. 38, 731 (1981). "W. L. Nighan, Appl. Phys. Lett. 36, 173 (1980). "D...Press. New York. Helvajian . H .. and Wittig. W. (1981). Appl. Phys. Lett. 38. 731-733. Horiguchi. H .. Chang. R. S. F.. and Setser. D. W, (1981). J...release; distribution unlimited 17. DISTRIBUTION STATEMENT (ot th» mbttraci •nfrtd In Block 30, H dllltrani ttom Rmporl) 18. SUPPLEMENTARY

Quantum Mechanical Studies of Molecular Hyperpolarizabilities.

DTIC Science & Technology

1980-04-30

exponent , reflects the screening of an electron in a given orbital by the interior electrons in the atom or molecule. In practice, when studying...Basis sets have evolved over the years in molecular quantum mechanics until sets of orbital exponents for the different atoms composing the molecule have...and R. P. Hurst , J. Chem. Phys. 46, 2356 (1967); S. P. LickmannI and J. W. Moskowitz, J. Chem. Phys. 54, 3622 7T971). 26. T. H. Dunning, J. Chem. Phys

Joint Services Electronics Program.

DTIC Science & Technology

1985-03-30

Greenberg , Research Assistant LCE 17FI’w C OBJECTIVE: The general objective of this research unit is to study the interaction of excited molecules...helium - SiH mixtures. REFIRNCES: 1. V.M. Donnelly, D.C Flamn, WC. Dantremont-Smith, DJ. Werder, J. AppL Phys. 53,242 (1983. 2. KE. Greenberg , G.A...Hebner, and J.T. Verdeyen, Appl. Phys. Lett. 44, 299 (1984). 3. K.E. Greenberg , J.T. Verdeyen, J. Appl. Phys. 57, 1596 (1985). PUBLICATION& .0 Journal

Electronic Structure in Thin Film Organic Semiconductors

DTIC Science & Technology

2009-06-27

Peltekis, C. McGuinness, and A. Matsuura, J. Chem. Phys. 129, 224705, (2008) c) "The Local Electronic Structure of Tin Phthalocyanine studied by...interfaces in a Cu(100)-benzenethiolate- pentacene heterostructure", Phys. Rev. Lett. 100, 027601 (2008). 21. O.V. Molodtsova, M. Grobosch, M. Knupfer...1999). 37. N.J. Watkins, S. Zorba, and Y. Gao, "Interface formation of pentacene on Al2O3", J. Appl. Phys. 96, 425 (2004). 38. K.V. Chauhan, I

Automated Discovery of New Chemical Reactions and Accurate Calculation of Their Rates

DTIC Science & Technology

2015-06-02

formation of organic acids in reactions of the Criegee intermediate with aldehydes and ketones . Phys. Chem. Chem. Phys. 2013, 15, 16841-16852. [39...dioxolan-3-ol – our second case study - we confirmed that fragmentation of the cyclic peroxide leads to two possible pairs of acid and aldehyde products...Rate Prediction via Group Additivity, Part 2: H-Abstraction from Alkenes, Alkynes, Alcohols, Aldehydes , and Acids by H Atoms. J. Phys. Chem. A 2001, 105