(International seminar on the inelastic behavior of solids: Models and utilization)

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

Ruggles, M.B.

The traveler attended the International Seminar on the Inelastic Behavior of Solids: Models and Utilization, and presented an invited paper. Development and validation of constitutive models for complex loading and environmental conditions was the principal subject of the seminar. Session 1. Constitutive Models: Theoretical Development, Analysis and Comparison, and Session 2. Constitutive Models: Experimental Identification and Use, were of particular interest to the ORNL constitutive equations development effort. The traveler also visited the Applied Mechanics Laboratory at the University of Franche-Comte in Besancon and the Laboratory of Mechanics and Technology at the ENSET/Paris University 6 in Cachan. In both laboratoriesmore » the traveler held discussions regarding inelastic material behavior at room and elevated temperatures, exploratory testing and modeling, and materials testing equipment and techniques.« less

Structure of 8B from elastic and inelastic 7Be+p scattering

NASA Astrophysics Data System (ADS)

Mitchell, J. P.; Rogachev, G. V.; Johnson, E. D.; Baby, L. T.; Kemper, K. W.; Moro, A. M.; Peplowski, P.; Volya, A. S.; Wiedenhöver, I.

2013-05-01

Background: Detailed experimental knowledge of the level structure of light weakly bound nuclei is necessary to guide the development of new theoretical approaches that combine nuclear structure with reaction dynamics.Purpose: The resonant structure of 8B is studied in this work.Method: Excitation functions for elastic and inelastic 7Be+p scattering were measured using a 7Be rare isotope beam. Excitation energies ranging between 1.6 and 3.4 MeV were investigated. An R-matrix analysis of the excitation functions was performed.Results: New low-lying resonances at 1.9, 2.54, and 3.3 MeV in 8B are reported with spin-parity assignment 0+, 2+, and 1+, respectively. Comparison to the time-dependent continuum shell (TDCSM) model and ab initio no-core shell model/resonating-group method (NCSM/RGM) calculations is performed. This work is a more detailed analysis of the data first published as a Rapid Communication. J. P. Mitchell, G. V. Rogachev, E. D. Johnson, L. T. Baby, K. W. Kemper , [Phys. Rev. CPRVCAN0556-281310.1103/PhysRevC.82.011601 82, 011601(R) (2010)].Conclusions: Identification of the 0+, 2+, 1+ states that were predicted by some models at relatively low energy but never observed experimentally is an important step toward understanding the structure of 8B. Their identification was aided by having both elastic and inelastic scattering data. Direct comparison of the cross sections and phase shifts predicted by the TDCSM and ab initio no-core shell model coupled with the resonating group method is of particular interest and provides a good test for these theoretical approaches.

Slow and fast motion of cracks in inelastic solids. Part 1: Slow growth of cracks in a rate sensitive tresca solid. Part 2: Dynamic crack represented by the Dugdale model

NASA Technical Reports Server (NTRS)

Wnuk, M. P.; Sih, G. C.

1972-01-01

An extension is proposed of the classical theory of fracture to viscoelastic and elastic-plastic materials in which the plasticity effects are confined to a narrow band encompassing the crack front. It is suggested that the Griffith-Irwin criterion of fracture, which requires that the energy release rate computed for a given boundary value problem equals the critical threshold, ought to be replaced by a differential equation governing the slow growth of a crack prior to the onset of rapid propagation. A new term which enters the equation of motion in the dissipative media is proportional to the energy lost within the end sections of the crack, and thus reflects the extent of inelastic behavior of a solid. A concept of apparent surface energy is introduced to account for the geometry dependent and the rate dependent phenomena which influence toughness of an inelastic solid. Three hypotheses regarding the condition for fracture in the subcritical range of load are compared. These are: (1) constant fracture energy (Cherepanov), (2) constant opening displacement at instability (Morozov) and (3) final stretch criterion (Wnuk).

Analysis of Large Quasistatic Deformations of Inelastic Solids by a New Stress Based Finite Element Method. Ph.D. Thesis Final Report

NASA Technical Reports Server (NTRS)

Reed, Kenneth W.

1992-01-01

A new hybrid stress finite element algorithm suitable for analyses of large quasistatic deformation of inelastic solids is presented. Principal variables in the formulation are the nominal stress rate and spin. The finite element equations which result are discrete versions of the equations of compatibility and angular momentum balance. Consistent reformulation of the constitutive equation and accurate and stable time integration of the stress are discussed at length. Examples which bring out the feasibility and performance of the algorithm conclude the work.

Advanced development of BEM for elastic and inelastic dynamic analysis of solids

NASA Technical Reports Server (NTRS)

Banerjee, P. K.; Ahmad, S.; Wang, H. C.

1989-01-01

Direct Boundary Element formulations and their numerical implementation for periodic and transient elastic as well as inelastic transient dynamic analyses of two-dimensional, axisymmetric and three-dimensional solids are presented. The inelastic formulation is based on an initial stress approach and is the first of its kind in the field of Boundary Element Methods. This formulation employs the Navier-Cauchy equation of motion, Graffi's dynamic reciprocal theorem, Stokes' fundamental solution, and the divergence theorem, together with kinematical and constitutive equations to obtain the pertinent integral equations of the problem in the time domain within the context of the small displacement theory of elastoplasticity. The dynamic (periodic, transient as well as nonlinear transient) formulations have been applied to a range of problems. The numerical formulations presented here are included in the BEST3D and GPBEST systems.

Core excitations across the neutron shell gap in 207Tl

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

Wilson, E.; Podolyák, Zs.; Grawe, H.

2015-05-05

The single closed-neutron-shell, one proton–hole nucleus 207Tl was populated in deep-inelastic collisions of a 208Pb beam with a 208Pb target. The yrast and near-yrast level scheme has been established up to high excitation energy, comprising an octupole phonon state and a large number of core excited states. Based on shell-model calculations, all observed single core excitations were established to arise from the breaking of the N=126 neutron core. While the shell-model calculations correctly predict the ordering of these states, their energies are compressed at high spins. It is concluded that this compression is an intrinsic feature of shell-model calculations usingmore » two-body matrix elements developed for the description of two-body states, and that multiple core excitations need to be considered in order to accurately calculate the energy spacings of the predominantly three-quasiparticle states.« less

Structure of spontaneously formed solid-electrolyte interphase on lithiated graphite determined using small-angle neutron scattering

DOE PAGES

Sacci, Robert L.; Banuelos, Jose Leobardo; Veith, Gabriel M.; ...

2015-03-25

We report the first small-angle neutron scattering of a chemically formed solid-electrolyte interphase from LixC6 reacting with ethylene carbonate/dimethyl carbon solvent. This provides a different and perhaps simpler view of SEI formation than the usual electrochemically-driven reaction. We show that an organic layer coats the graphite particles filling in micro-pores and is polymeric in nature being 1-3 nm thick. We used inelastic neutron scattering to probe the chemistry, and we found that the SEI showed similar inelastic scattering to polyethylene oxide.

Nonrelativistic quantum theory of the contact inelastic scattering of an x-ray photon by an atom

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

Hopersky, Alexey N.; Nadolinsky, Alexey M.

The nonrelativistic analytical structure of the doubly differential cross section of the contact inelastic scattering of an x-ray photon by a free atom is determined by means of the irreducible tensor operator theory outside the frame of the impulse approximation. For the neon atom in the vicinity of the 1s shell ionization threshold our theory predicts the existence of the distinct fine structure of the cross section caused by transitions of the atomic core electrons into the excited discrete spectrum states. The results of our calculations with inclusion of the effects of radial relaxation, inelastic scattering through the intermediate states,more » and elastic Rayleigh scattering, are predictions, while at the 22 keV incident photons they compare well with the synchrotron experiment by Jung et al. [Phys. Rev. Lett. 81, 1596 (1998)].« less

Chemical and thermal stability of core-shelled magnetite nanoparticles and solid silica

NASA Astrophysics Data System (ADS)

Cendrowski, Krzysztof; Sikora, Pawel; Zielinska, Beata; Horszczaruk, Elzbieta; Mijowska, Ewa

2017-06-01

Pristine nanoparticles of magnetite were coated by solid silica shell forming core/shell structure. 20 nm thick silica coating significantly enhanced the chemical and thermal stability of the iron oxide. Chemical and thermal stability of this structure has been compared to the magnetite coated by mesoporous shell and pristine magnetite nanoparticles. It is assumed that six-membered silica rings in a solid silica shell limit the rate of oxygen diffusion during thermal treatment in air and prevent the access of HCl molecules to the core during chemical etching. Therefore, the core/shell structure with a solid shell requires a longer time to induce the oxidation of iron oxide to a higher oxidation state and, basically, even strong concentrated acid such as HCl is not able to dissolve it totally in one month. This leads to the desired performance of the material in potential applications such as catalysis and environmental protection.

Method of altering the effective bulk density of solid material and the resulting product

DOEpatents

Kool, Lawrence B.; Nolen, Robert L.; Solomon, David E.

1983-01-01

A method of adjustably tailoring the effective bulk density of a solid material in which a mixture comprising the solid material, a film-forming polymer and a volatile solvent are sprayed into a drying chamber such that the solvent evaporates and the polymer dries into hollow shells having the solid material captured within the shell walls. Shell density may be varied as a function of solid/polymer concentration, droplet size and drying temperature.

Comparative study of inelastic squared form factors of the vibronic states of B 1Σu+ , C 1Πu , and E F 1Σg+ for molecular hydrogen: Inelastic x-ray and electron scattering

NASA Astrophysics Data System (ADS)

Xu, Long-Quan; Kang, Xu; Peng, Yi-Geng; Xu, Xin; Liu, Ya-Wei; Wu, Yong; Yang, Ke; Hiraoka, Nozomu; Tsuei, Ku-Ding; Wang, Jian-Guo; Zhu, Lin-Fan

2018-03-01

A joint experimental and theoretical investigation of the valence-shell excitations of hydrogen has been performed by the high-resolution inelastic x-ray scattering and electron scattering as well as the multireference single- and double-excitation configuration-interaction method. Momentum-transfer-dependent inelastic squared form factors for the vibronic series belonging to the B 1Σu+ ,C 1Πu , and E F 1Σg+ electronic states of molecular hydrogen have been derived from the inelastic x-ray scattering method at an impact photon energy around 10 keV, and the electron energy-loss spectra measured at an incident electron energy of 1500 eV. It is found that both the present and the previous calculations cannot satisfactorily reproduce the inelastic squared form-factor profiles for the higher vibronic transitions of the B 1Σu+ state of molecular hydrogen, which may be due to the electronic-vibrational coupling for the higher vibronic states. For the C 1Πu state and some vibronic excitations of E F 1Σg+ state, the present experimental results are in good agreement with the present and previous calculations, while the slight differences between the inelastic x-ray scattering and electron energy-loss spectroscopy results in the larger squared momentum-transfer region may be attributed to the increasing role of the higher-order Born terms in the electron-scattering process.

Tailoring surface plasmon resonance and dipole cavity plasmon modes of scattering cross section spectra on the single solid-gold/gold-shell nanorod

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

Chou Chau, Yuan-Fong, E-mail: chou.fong@ubd.edu.bn; Lim, Chee Ming; Kumara, N. T. R. N.

Tunable surface plasmon resonance (SPR) and dipole cavity plasmon modes of the scattering cross section (SCS) spectra on the single solid-gold/gold-shell nanorod have been numerically investigated by using the finite element method. Various effects, such as the influence of SCS spectra under x- and y-polarizations on the surface of the single solid-gold/gold-shell nanorod, are discussed in detail. With the single gold-shell nanorod, one can independently tune the relative SCS spectrum width by controlling the rod length and rod diameter, and the surface scattering by varying the shell thickness and polarization direction, as well as the dipole peak energy. These behaviorsmore » are consistent with the properties of localized SPRs and offer a way to optically control and produce selected emission wavelengths from the single solid-gold/gold-shell nanorod. The electric field and magnetic distributions provide us a qualitative idea of the geometrical properties of the single solid-gold/gold-shell nanorod on plasmon resonance.« less

Tailoring surface plasmon resonance and dipole cavity plasmon modes of scattering cross section spectra on the single solid-gold/gold-shell nanorod

NASA Astrophysics Data System (ADS)

Chou Chau, Yuan-Fong; Lim, Chee Ming; Lee, Chuanyo; Huang, Hung Ji; Lin, Chun-Ting; Kumara, N. T. R. N.; Yoong, Voo Nyuk; Chiang, Hai-Pang

2016-09-01

Tunable surface plasmon resonance (SPR) and dipole cavity plasmon modes of the scattering cross section (SCS) spectra on the single solid-gold/gold-shell nanorod have been numerically investigated by using the finite element method. Various effects, such as the influence of SCS spectra under x- and y-polarizations on the surface of the single solid-gold/gold-shell nanorod, are discussed in detail. With the single gold-shell nanorod, one can independently tune the relative SCS spectrum width by controlling the rod length and rod diameter, and the surface scattering by varying the shell thickness and polarization direction, as well as the dipole peak energy. These behaviors are consistent with the properties of localized SPRs and offer a way to optically control and produce selected emission wavelengths from the single solid-gold/gold-shell nanorod. The electric field and magnetic distributions provide us a qualitative idea of the geometrical properties of the single solid-gold/gold-shell nanorod on plasmon resonance.

Hierarchically mesoporous CuO/carbon nanofiber coaxial shell-core nanowires for lithium ion batteries

PubMed Central

Park, Seok-Hwan; Lee, Wan-Jin

2015-01-01

Hierarchically mesoporous CuO/carbon nanofiber coaxial shell-core nanowires (CuO/CNF) as anodes for lithium ion batteries were prepared by coating the Cu2(NO3)(OH)3 on the surface of conductive and elastic CNF via electrophoretic deposition (EPD), followed by thermal treatment in air. The CuO shell stacked with nanoparticles grows radially toward the CNF core, which forms hierarchically mesoporous three-dimensional (3D) coaxial shell-core structure with abundant inner spaces in nanoparticle-stacked CuO shell. The CuO shells with abundant inner spaces on the surface of CNF and high conductivity of 1D CNF increase mainly electrochemical rate capability. The CNF core with elasticity plays an important role in strongly suppressing radial volume expansion by inelastic CuO shell by offering the buffering effect. The CuO/CNF nanowires deliver an initial capacity of 1150 mAh g−1 at 100 mA g−1 and maintain a high reversible capacity of 772 mAh g−1 without showing obvious decay after 50 cycles. PMID:25944615

Numerical nonlinear inelastic analysis of stiffened shells of revolution. Volume 4: Satellite-1P program for STARS-2P digital computer program

NASA Technical Reports Server (NTRS)

Svalbonas, V.; Ogilvie, P.

1975-01-01

A special data debugging package called SAT-1P created for the STARS-2P computer program is described. The program was written exclusively in FORTRAN 4 for the IBM 370-165 computer, and then converted to the UNIVAC 1108.

Multiphonon: Phonon Density of States tools for Inelastic Neutron Scattering Powder Data

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

Y. Y. Lin, Jiao; Islam, Fahima; Kresh, Max

The multiphonon python package calculates phonon density of states, a reduced representation of vibrational property of condensed matter (see, for example, Section “Density of Normal Modes” in Chapter 23 “Quantum Theory of the Harmonic Crystal” of (Ashcroft and Mermin 2011)), from inelastic neutron scattering (see, for example (B. Fultz et al. 2006–2016)) spectrum from a powder sample. Inelastic neutron spectroscopy (INS) is a probe of excitations in solids of vibrational or magnetic origins. In INS, neutrons can lose(gain) energy to(from) the solid in the form of quantized lattice vibrations – phonons. Measuring phonon density of states is usually the firstmore » step in determining the phonon properties of a material experimentally. Phonons play a very important role in understanding the physical properties of a solid, including thermal conductivity and electrical conductivity. Hence, INS is an important tool for studying thermoelectric materials (Budai et al. 2014, Li et al. (2015)), where low thermal conductivity and high electrical conductivity are desired. Study of phonon entropy also made important contributions to the research of thermal dynamics and phase stability of materials (B. Fultz 2010, bogdanoff2002phonon, swan2006vibrational).« less

Multiphonon: Phonon Density of States tools for Inelastic Neutron Scattering Powder Data

DOE PAGES

Y. Y. Lin, Jiao; Islam, Fahima; Kresh, Max

2018-01-29

The multiphonon python package calculates phonon density of states, a reduced representation of vibrational property of condensed matter (see, for example, Section “Density of Normal Modes” in Chapter 23 “Quantum Theory of the Harmonic Crystal” of (Ashcroft and Mermin 2011)), from inelastic neutron scattering (see, for example (B. Fultz et al. 2006–2016)) spectrum from a powder sample. Inelastic neutron spectroscopy (INS) is a probe of excitations in solids of vibrational or magnetic origins. In INS, neutrons can lose(gain) energy to(from) the solid in the form of quantized lattice vibrations – phonons. Measuring phonon density of states is usually the firstmore » step in determining the phonon properties of a material experimentally. Phonons play a very important role in understanding the physical properties of a solid, including thermal conductivity and electrical conductivity. Hence, INS is an important tool for studying thermoelectric materials (Budai et al. 2014, Li et al. (2015)), where low thermal conductivity and high electrical conductivity are desired. Study of phonon entropy also made important contributions to the research of thermal dynamics and phase stability of materials (B. Fultz 2010, bogdanoff2002phonon, swan2006vibrational).« less

Finite Rotation Analysis of Highly Thin and Flexible Structures

NASA Technical Reports Server (NTRS)

Clarke, Greg V.; Lee, Keejoo; Lee, Sung W.; Broduer, Stephen J. (Technical Monitor)

2001-01-01

Deployable space structures such as sunshields and solar sails are extremely thin and highly flexible with limited bending rigidity. For analytical investigation of their responses during deployment and operation in space, these structures can be modeled as thin shells. The present work examines the applicability of the solid shell element formulation to modeling of deployable space structures. The solid shell element formulation that models a shell as a three-dimensional solid is convenient in that no rotational parameters are needed for the description of kinematics of deformation. However, shell elements may suffer from element locking as the thickness becomes smaller unless special care is taken. It is shown that, when combined with the assumed strain formulation, the solid shell element formulation results in finite element models that are free of locking even for extremely thin structures. Accordingly, they can be used for analysis of highly flexible space structures undergoing geometrically nonlinear finite rotations.

Calculations of stopping powers of 100 eV-30 keV electrons in 31 elemental solids

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

Tanuma, S.; Powell, C. J.; Penn, D. R.

We present calculated electron stopping powers (SPs) for 31 elemental solids (Li, Be, glassy C, graphite, diamond, Na, Mg, K, Sc, Ti, V, Fe, Y, Zr, Nb, Mo, Ru, Rh, In, Sn, Cs, Gd, Tb, Dy, Hf, Ta, W, Re, Os, Ir, and Bi). These SPs were determined with an algorithm previously used for the calculation of electron inelastic mean free paths and from energy-loss functions (ELFs) derived from experimental optical data. The SP calculations were made for electron energies between 100 eV and 30 keV and supplement our earlier SP calculations for ten additional solids (Al, Si, Cr, Ni,more » Cu, Ge, Pd, Ag, Pt, and Au). Plots of SP versus atomic number for the group of 41 solids show clear trends. Multiple peaks and shoulders are seen that result from the contributions of valence-electron and various inner-shell excitations. Satisfactory agreement was found between the calculated SPs and values from the relativistic Bethe SP equation with recommended values of the mean excitation energy (MEE) for energies above 10 keV. We determined effective MEEs versus maximum excitation energy from the ELFs for each solid. Plots of effective MEE versus atomic number showed the relative contributions of valence-electron and different core-electron excitations to the MEE. For a maximum excitation energy of 30 keV, our effective MEEs agreed well for Be, graphite, Na, Al, and Si with recommended MEEs; a difference for Li was attributed to sample oxidation in the SP measurements for the recommended MEE. Substantially different effective MEEs were found for the three carbon allotropes (graphite, diamond, and glassy C)« less

Systems for production of polymer encapsuated solids

DOEpatents

Bourcier, William L.; Aines, Roger D.; Baker, Sarah E.; Duoss, Eric B.; Maiti, Amitesh; Roberts, Jeffery J.; Spadaccini, Christopher M.; Stolaroff, Joshuah K.; Vericella, John J.; Lewis, Jennifer A.; Hardin, IV, James O.; Floyd, III, William C.

2017-11-21

Encapsulated solids are made by first encapsulating precursor materials in a polymer shell. The precursors are some combination of solids, liquids, gases, and/or gels. The precursors are then transformed into solids by emplacement of the capsule in an environment where gas or fluid transport into or out of the polymer shell causes transformation into solids.

Survey of background scattering from materials found in small-angle neutron scattering.

PubMed

Barker, J G; Mildner, D F R

2015-08-01

Measurements and calculations of beam attenuation and background scattering for common materials placed in a neutron beam are presented over the temperature range of 300-700 K. Time-of-flight (TOF) measurements have also been made, to determine the fraction of the background that is either inelastic or quasi-elastic scattering as measured with a 3 He detector. Other background sources considered include double Bragg diffraction from windows or samples, scattering from gases, and phonon scattering from solids. Background from the residual air in detector vacuum vessels and scattering from the 3 He detector dome are presented. The thickness dependence of the multiple scattering correction for forward scattering from water is calculated. Inelastic phonon background scattering at small angles for crystalline solids is both modeled and compared with measurements. Methods of maximizing the signal-to-noise ratio by material selection, choice of sample thickness and wavelength, removal of inelastic background by TOF or Be filters, and removal of spin-flip scattering with polarized beam analysis are discussed.

Survey of background scattering from materials found in small-angle neutron scattering

PubMed Central

Barker, J. G.; Mildner, D. F. R.

2015-01-01

Measurements and calculations of beam attenuation and background scattering for common materials placed in a neutron beam are presented over the temperature range of 300–700 K. Time-of-flight (TOF) measurements have also been made, to determine the fraction of the background that is either inelastic or quasi-elastic scattering as measured with a 3He detector. Other background sources considered include double Bragg diffraction from windows or samples, scattering from gases, and phonon scattering from solids. Background from the residual air in detector vacuum vessels and scattering from the 3He detector dome are presented. The thickness dependence of the multiple scattering correction for forward scattering from water is calculated. Inelastic phonon background scattering at small angles for crystalline solids is both modeled and compared with measurements. Methods of maximizing the signal-to-noise ratio by material selection, choice of sample thickness and wavelength, removal of inelastic background by TOF or Be filters, and removal of spin-flip scattering with polarized beam analysis are discussed. PMID:26306088

Probing mesoscopic crystals with electrons: One-step simultaneous inelastic and elastic scattering theory

NASA Astrophysics Data System (ADS)

Nazarov, Vladimir U.; Silkin, Vyacheslav M.; Krasovskii, Eugene E.

2017-12-01

Inelastic scattering of the medium-energy (˜10 -100 eV) electrons underlies the method of the high-resolution electron energy-loss spectroscopy (HREELS), which has been successfully used for decades to characterize pure and adsorbate-covered surfaces of solids. With the emergence of graphene and other quasi-two-dimensional (Q2D) crystals, HREELS could be expected to become the major experimental tool to study this class of materials. We, however, identify a critical flaw in the theoretical picture of the HREELS of Q2D crystals in the context of the inelastic scattering only ("energy-loss functions" formalism), in contrast to its justifiable use for bulk solids and surfaces. The shortcoming is the neglect of the elastic scattering, which we show is inseparable from the inelastic one, and which, affecting the spectra dramatically, must be taken into account for the meaningful interpretation of the experiment. With this motivation, using the time-dependent density functional theory for excitations, we build a theory of the simultaneous inelastic and elastic electron scattering at Q2D crystals. We apply this theory to HREELS of graphene, revealing an effect of the strongly coupled excitation of the π +σ plasmon and elastic diffraction resonances. Our results open a path to the theoretically interpretable study of the excitation processes in crystalline mesoscopic materials by means of HREELS, with its supreme resolution on the meV energy scale, which is far beyond the capacity of the now overwhelmingly used EELS in transmission electron microscopy.

Facile synthesis and microwave absorbability of C@Ni–NiO core–shell hybrid solid sphere and multi-shelled NiO hollow sphere

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

Wu, Hongjing, E-mail: wuhongjing@mail.nwpu.edu.cn; Wu, Guanglei, E-mail: wuguanglei@mail.xjtu.edu.cn; Wu, Qiaofeng

2014-11-15

We reported the preparation of C@Ni–NiO core–shell hybrid solid spheres or multi-shelled NiO hollow spheres by combining a facile hydrothermal route with a calcination process in H{sub 2} or air atmosphere, respectively. The synthesized C@Ni–NiO core–shell solid spheres with diameters of approximately 2–6 μm were in fact built from dense NiO nanoparticles coated by random two-dimensional metal Ni nanosheets without any visible pores. The multi-shelled NiO hollow spheres were built from particle-like ligaments and there are a lot of pores with size of several nanometers on the surface. Combined Raman spectra with X-ray photoelectron spectra (XPS), it suggested that themore » defects in the samples play a limited role in the dielectric loss. Compared with the other samples, the permeability of the samples calcined in H{sub 2} and air was increased slightly and the natural resonance frequency shifted to higher frequency (7, 11 and 14 GHz, respectively), leading to an enhancement of microwave absorption property. For the sample calcined in H{sub 2}, an optimal reflection loss less than − 10 was obtained at 7 GHz with a matching thickness of 5.0 mm. Our study demonstrated the potential application of C@Ni–NiO core–shell hybrid solid sphere or multi-shelled NiO hollow sphere as a more efficient electromagnetic (EM) wave absorber. - Highlights: • C@Ni–NiO core–shell hybrid solid sphere was synthesized by a facile method. • Multi-shelled NiO hollow sphere was synthesized by a facile method. • It suggested that the defects in the samples play a limited role in dielectric loss. • The permeability of the samples calcined in H{sub 2} and air was increased. • Microwave absorbability of C@Ni–NiO core–shell hybrid solid sphere was investigated.« less

Inelastic scattering of neutron-rich Ni and Zn isotopes off a proton target

NASA Astrophysics Data System (ADS)

Cortés, M. L.; Doornenbal, P.; Dupuis, M.; Lenzi, S. M.; Nowacki, F.; Obertelli, A.; Péru, S.; Pietralla, N.; Werner, V.; Wimmer, K.; Authelet, G.; Baba, H.; Calvet, D.; Château, F.; Corsi, A.; Delbart, A.; Gheller, J.-M.; Gillibert, A.; Isobe, T.; Lapoux, V.; Louchart, C.; Matsushita, M.; Momiyama, S.; Motobayashi, T.; Niikura, M.; Otsu, H.; Péron, C.; Peyaud, A.; Pollacco, E. C.; Roussé, J.-Y.; Sakurai, H.; Santamaria, C.; Sasano, M.; Shiga, Y.; Takeuchi, S.; Taniuchi, R.; Uesaka, T.; Wang, H.; Yoneda, K.; Browne, F.; Chung, L. X.; Dombradi, Zs.; Franchoo, S.; Giacoppo, F.; Gottardo, A.; Hadynska-Klek, K.; Korkulu, Z.; Koyama, S.; Kubota, Y.; Lee, J.; Lettmann, M.; Lozeva, R.; Matsui, K.; Miyazaki, T.; Nishimura, S.; Olivier, L.; Ota, S.; Patel, Z.; Sahin, E.; Shand, C. M.; Söderström, P.-A.; Stefan, I.; Steppenbeck, D.; Sumikama, T.; Suzuki, D.; Vajta, Zs.; Wu, J.; Xu, Z.

2018-04-01

Proton inelastic scattering of Ni,7472 and Zn,8076 ions at energies around 235 MeV/nucleon was performed at the Radioactive Isotope Beam Factory and studied using γ -ray spectroscopy. Angular integrated cross sections for direct inelastic scattering to the 21+ and 41+ states were measured. The Jeukenne-Lejeune-Mahaux folding model, extended beyond 200 MeV, was used together with neutron and proton densities stemming from quasiparticle random-phase approximation (QRPA) calculations to interpret the experimental cross sections and to infer neutron to proton matrix element ratios. In addition, coupled-channels calculations with a phenomenological potential were used to determine deformation lengths. For the Ni isotopes, correlations favor neutron excitations, thus conserving the Z =28 gap. A dominance of proton excitation, on the other hand, is observed in the Zn isotopes, pointing to the conservation of the N =50 gap approaching 78Ni. These results are in agreement with QRPA and large-scale shell-model calculations.

An immersed-shell method for modelling fluid–structure interactions

PubMed Central

Viré, A.; Xiang, J.; Pain, C. C.

2015-01-01

The paper presents a novel method for numerically modelling fluid–structure interactions. The method consists of solving the fluid-dynamics equations on an extended domain, where the computational mesh covers both fluid and solid structures. The fluid and solid velocities are relaxed to one another through a penalty force. The latter acts on a thin shell surrounding the solid structures. Additionally, the shell is represented on the extended domain by a non-zero shell-concentration field, which is obtained by conservatively mapping the shell mesh onto the extended mesh. The paper outlines the theory underpinning this novel method, referred to as the immersed-shell approach. It also shows how the coupling between a fluid- and a structural-dynamics solver is achieved. At this stage, results are shown for cases of fundamental interest. PMID:25583857

Exchange and Inelastic OH(+) + H Collisions on the Doublet and Quartet Electronic States.

PubMed

Bulut, Niyazi; Lique, François; Roncero, Octavio

2015-12-17

The exchange and inelastic state-to-state cross sections for the OH(+) + H collisions are computed from wave packet calculations using the doublet and quartet ground electronic potential energy surface (PES) correlating to the open shell reactants, for collision energies in the range of 1 meV to 0.7 eV. The doublet PES presents a deep insertion well, of ≈6 eV, but the exchange reaction has a rather low probability, showing that the mechanism is not statistical. This well is also responsible of a rather high rotational energy transfer, which makes the rigid-rotor approach overestimate the cross section for low Δj transitions and for high collisonal energies. The quartet PES, with a much shallower well, also presents a low exchange reaction cross section, but the inelastic state-to-state cross sections are very well reproduced by rigid-rotor calculations. When the electronic partition is used to obtain the total state-to-state cross section, the contribution of the doublet state becomes small, and the resulting total cross sections become close to those obtained for the quartet state. Thus, the total (quartet and doublet) cross sections for this open shell system can be reproduced rather satisfactorily by those obtained with the rigid-rotor approximation on the quartet state. Finally, we compare the new OH(+)-H cross sections with OH(+)-He ones recently computed. We found significant differences, especially for transitions with large Δj showing that specific OH(+)-H calculations had to be performed to accurately analyze the OH(+) emission from interstellar molecular clouds.

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

Anderson, Brian B.; Kirkegaard, Marie C.; Miskowiec, Andrew J.

Uranyl fluoride (UO 2F 2) is a hygroscopic powder with two main structural phases: an anhydrous crystal and a partially hydrated crystal of the same R¯3m symmetry. The formally closed-shell electron structure of anhydrous UO 2F 2 is amenable to density functional theory calculations. We use density functional perturbation theory (DFPT) to calculate the vibrational frequencies of the anhydrous crystal structure and employ complementary inelastic neutron scattering and temperature-dependent Raman scattering to validate those frequencies. As a model closed-shell actinide, we investigated the effect of LDA, GGA, and non-local vdW functionals as well as the spherically-averaged Hubbard +U correction onmore » vibrational frequencies, electronic structure, and geometry of anhydrous UO 2F 2. A particular choice of U eff = 5.5 eV yields the correct U Oyl bond distance and vibrational frequencies for the characteristic Eg and A1g modes that are within the resolution of experiment. Inelastic neutron scattering and Raman scattering suggest a degree of water coupling to the lattice vibrations in the more experimentally accessible partially hydrated UO 2F 2 system, with the symmetric O-U-O stretching vibration shifted approximately 47 cm -1 lower in energy compared to the anhydrous structure. Evidence of water interaction with the uranyl ion is present from a two-peak decomposition of the uranyl stretching vibration in the Raman spectra and anion hydrogen stretching vibrations in the inelastic neutron scattering spectra. A first-order dehydration phase transition temperature is definitively identified to be 125 °C using temperature-dependent Raman scattering.« less

Vibrational Properties of Anhydrous and Partially Hydrated Uranyl Fluoride

DOE PAGES

Anderson, Brian B.; Kirkegaard, Marie C.; Miskowiec, Andrew J.; ...

2017-01-01

Uranyl fluoride (UO 2F 2) is a hygroscopic powder with two main structural phases: an anhydrous crystal and a partially hydrated crystal of the same R¯3m symmetry. The formally closed-shell electron structure of anhydrous UO 2F 2 is amenable to density functional theory calculations. We use density functional perturbation theory (DFPT) to calculate the vibrational frequencies of the anhydrous crystal structure and employ complementary inelastic neutron scattering and temperature-dependent Raman scattering to validate those frequencies. As a model closed-shell actinide, we investigated the effect of LDA, GGA, and non-local vdW functionals as well as the spherically-averaged Hubbard +U correction onmore » vibrational frequencies, electronic structure, and geometry of anhydrous UO 2F 2. A particular choice of U eff = 5.5 eV yields the correct U Oyl bond distance and vibrational frequencies for the characteristic Eg and A1g modes that are within the resolution of experiment. Inelastic neutron scattering and Raman scattering suggest a degree of water coupling to the lattice vibrations in the more experimentally accessible partially hydrated UO 2F 2 system, with the symmetric O-U-O stretching vibration shifted approximately 47 cm -1 lower in energy compared to the anhydrous structure. Evidence of water interaction with the uranyl ion is present from a two-peak decomposition of the uranyl stretching vibration in the Raman spectra and anion hydrogen stretching vibrations in the inelastic neutron scattering spectra. A first-order dehydration phase transition temperature is definitively identified to be 125 °C using temperature-dependent Raman scattering.« less

Synergy of elastic and inelastic energy loss on ion track formation in SrTiO 3

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

Weber, William J.; Zarkadoula, Eva; Pakarinen, Olli H.

2015-01-12

While the interaction of energetic ions with solids is well known to result in inelastic energy loss to electrons and elastic energy loss to atomic nuclei in the solid, the coupled effects of these energy losses on defect production, nanostructure evolution and phase transformations in ionic and covalently bonded materials are complex and not well understood due to dependencies on electron-electron scattering processes, electron-phonon coupling, localized electronic excitations, diffusivity of charged defects, and solid-state radiolysis. Here we show that a colossal synergy occurs between inelastic energy loss and pre-existing atomic defects created by elastic energy loss in single crystal strontiummore » titanate (SrTiO 3), resulting in the formation of nanometer-sized amorphous tracks, but only in the narrow region with pre-existing defects. These defects locally decrease the electronic and atomic thermal conductivities and increase electron-phonon coupling, which locally increase the intensity of the thermal spike for each ion. This work identifies a major gap in understanding on the role of defects in electronic energy dissipation and electron-phonon coupling; it also provides insights for creating novel interfaces and nanostructures to functionalize thin film structures, including tunable electronic, ionic, magnetic and optical properties.« less

Probing the structure of the stable Xe isotopes with inelastic neutron scattering

NASA Astrophysics Data System (ADS)

Peters, Erin E.; Ross, Timothy J.; Crider, Benjamin P.; Yates, Steven W.

2018-05-01

The stable isotopes of xenon, which have attracted interest for a number of reasons, span a transitional region that evolves from γ-soft structures for the lighter mass isotopes to nearly spherical 136Xe with a closed neutron shell. The nature of this transition, which is gradual, is not well understood. To provide detailed spectroscopic information on the Xe isotopes, we have studied 130,132,134,136Xe at the University of Kentucky Accelerator Laboratory using inelastic neutron scattering and γ-ray detection. These measurements yielded γ-ray angular distributions, branching ratios, multipole mixing ratios, and level lifetimes (from the Doppler-shift attenuation method), which allowed the determination of reduced transition probabilities and provided insight into the structure of these nuclei.

Kl-impregnated Oyster Shells as a Solid Catalyst for Soybean Oil Transesterificaton

USDA-ARS?s Scientific Manuscript database

Research on inexpensive and green catalysts is needed for economical production of biodiesel. The goal of the research was to test KI-impregnated oyster shell as a solid catalyst for transesterification of soybean oil. Specific objectives were to characterize KI-impregnated oyster shell, determine t...

Numerical nonlinear inelastic analysis of stiffened shells of revolution. Volume 3: Engineer's program manual for STARS-2P digital computer program

NASA Technical Reports Server (NTRS)

Svalbonas, V.; Levine, H.; Ogilvie, P.

1975-01-01

Engineering programming information is presented for the STARS-2P (shell theory automated for rotational structures-2P (plasticity)) digital computer program, and FORTRAN 4 was used in writing the various subroutines. The execution of this program requires the use of thirteen temporary storage units. The program was initially written and debugged on the IBM 370-165 computer and converted to the UNIVAC 1108 computer, where it utilizes approximately 60,000 words of core. Only basic FORTRAN library routines are required by the program: sine, cosine, absolute value, and square root.

Radioactive waste disposal package

DOEpatents

Lampe, Robert F.

1986-11-04

A radioactive waste disposal package comprising a canister for containing vitrified radioactive waste material and a sealed outer shell encapsulating the canister. A solid block of filler material is supported in said shell and convertible into a liquid state for flow into the space between the canister and outer shell and subsequently hardened to form a solid, impervious layer occupying such space.

Radioactive waste disposal package

DOEpatents

Lampe, Robert F.

1986-01-01

A radioactive waste disposal package comprising a canister for containing vitrified radioactive waste material and a sealed outer shell encapsulating the canister. A solid block of filler material is supported in said shell and convertible into a liquid state for flow into the space between the canister and outer shell and subsequently hardened to form a solid, impervious layer occupying such space.

Isostructural solid-solid phase transition in monolayers of soft core-shell particles at fluid interfaces: structure and mechanics.

PubMed

Rey, Marcel; Fernández-Rodríguez, Miguel Ángel; Steinacher, Mathias; Scheidegger, Laura; Geisel, Karen; Richtering, Walter; Squires, Todd M; Isa, Lucio

2016-04-21

We have studied the complete two-dimensional phase diagram of a core-shell microgel-laden fluid interface by synchronizing its compression with the deposition of the interfacial monolayer. Applying a new protocol, different positions on the substrate correspond to different values of the monolayer surface pressure and specific area. Analyzing the microstructure of the deposited monolayers, we discovered an isostructural solid-solid phase transition between two crystalline phases with the same hexagonal symmetry, but with two different lattice constants. The two phases corresponded to shell-shell and core-core inter-particle contacts, respectively; with increasing surface pressure the former mechanically failed enabling the particle cores to come into contact. In the phase-transition region, clusters of particles in core-core contacts nucleate, melting the surrounding shell-shell crystal, until the whole monolayer moves into the second phase. We furthermore measured the interfacial rheology of the monolayers as a function of the surface pressure using an interfacial microdisk rheometer. The interfaces always showed a strong elastic response, with a dip in the shear elastic modulus in correspondence with the melting of the shell-shell phase, followed by a steep increase upon the formation of a percolating network of the core-core contacts. These results demonstrate that the core-shell nature of the particles leads to a rich mechanical and structural behavior that can be externally tuned by compressing the interface, indicating new routes for applications, e.g. in surface patterning or emulsion stabilization.

Disentangling Transient Charge Density and Metal–Ligand Covalency in Photoexcited Ferricyanide with Femtosecond Resonant Inelastic Soft X-ray Scattering

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

Jay, Raphael M.; Norell, Jesper; Eckert, Sebastian

Soft X-ray spectroscopies are ideal probes of the local valence electronic structure of photocatalytically active metal sites. Here, we apply the selectivity of time-resolved resonant inelastic X-ray scattering at the iron L-edge to the transient charge distribution of an optically excited charge-transfer state in aqueous ferricyanide. Through comparison to steady-state spectra and quantum chemical calculations, the coupled effects of valence-shell closing and ligand-hole creation are experimentally and theoretically disentangled and described in terms of orbital occupancy, metal–ligand covalency, and ligand field splitting, thereby extending established steady-state concepts to the excited-state domain. π-Back-donation is found to be mainly determined by themore » metal site occupation, whereas the ligand hole instead influences σ-donation. Here, our results demonstrate how ultrafast resonant inelastic X-ray scattering can help characterize local charge distributions around catalytic metal centers in short-lived charge-transfer excited states, as a step toward future rationalization and tailoring of photocatalytic capabilities of transition-metal complexes.« less

Disentangling Transient Charge Density and Metal–Ligand Covalency in Photoexcited Ferricyanide with Femtosecond Resonant Inelastic Soft X-ray Scattering

DOE PAGES

Jay, Raphael M.; Norell, Jesper; Eckert, Sebastian; ...

2018-06-11

Soft X-ray spectroscopies are ideal probes of the local valence electronic structure of photocatalytically active metal sites. Here, we apply the selectivity of time-resolved resonant inelastic X-ray scattering at the iron L-edge to the transient charge distribution of an optically excited charge-transfer state in aqueous ferricyanide. Through comparison to steady-state spectra and quantum chemical calculations, the coupled effects of valence-shell closing and ligand-hole creation are experimentally and theoretically disentangled and described in terms of orbital occupancy, metal–ligand covalency, and ligand field splitting, thereby extending established steady-state concepts to the excited-state domain. π-Back-donation is found to be mainly determined by themore » metal site occupation, whereas the ligand hole instead influences σ-donation. Here, our results demonstrate how ultrafast resonant inelastic X-ray scattering can help characterize local charge distributions around catalytic metal centers in short-lived charge-transfer excited states, as a step toward future rationalization and tailoring of photocatalytic capabilities of transition-metal complexes.« less

Titanium dioxide@polypyrrole core-shell nanowires for all solid-state flexible supercapacitors.

PubMed

Yu, Minghao; Zeng, Yinxiang; Zhang, Chong; Lu, Xihong; Zeng, Chenghui; Yao, Chenzhong; Yang, Yangyi; Tong, Yexiang

2013-11-21

Herein, we developed a facile two-step process to synthesize TiO2@PPy core-shell nanowires (NWs) on carbon cloth and reported their improved electrochemical performance for flexible supercapacitors (SCs). The fabricated solid-state SC device based on TiO2@PPy core-shell NWs not only has excellent flexibility, but also exhibits remarkable electrochemical performance.

The adsorption of rare earth ions using carbonized polydopamine nano shells

DOE PAGES

Sun, Xiaoqi; Luo, Huimin; Mahurin, Shannon Mark; ...

2016-01-07

Herein we report the structure effects of nano carbon shells prepared by carbonized polydopamine for rare earth elements (REEs) adsorption for the first time. The solid carbon sphere, 60 nm carbon shell and 500 nm carbon shell were prepared and investigated for adsorption and desorption of REEs. The adsorption of carbon shells for REEs was found to be better than the solid carbon sphere. The effect of acidities on the adsorption and desorption properties was discussed in this study. The good adsorption performance of carbon shells can be attributed to their porous structure, large specific surface area, amine group andmore » carbonyl group of dopamine.« less

Vibration characteristics of 1/8-scale dynamic models of the space-shuttle solid-rocket boosters

NASA Technical Reports Server (NTRS)

Leadbetter, S. A.; Stephens, W.; Sewall, J. L.; Majka, J. W.; Barret, J. R.

1976-01-01

Vibration tests and analyses of six 1/8 scale models of the space shuttle solid rocket boosters are reported. Natural vibration frequencies and mode shapes were obtained for these aluminum shell models having internal solid fuel configurations corresponding to launch, midburn (maximum dynamic pressure), and near endburn (burnout) flight conditions. Test results for longitudinal, torsional, bending, and shell vibration frequencies are compared with analytical predictions derived from thin shell theory and from finite element plate and beam theory. The lowest analytical longitudinal, torsional, bending, and shell vibration frequencies were within + or - 10 percent of experimental values. The effects of damping and asymmetric end skirts on natural vibration frequency were also considered. The analytical frequencies of an idealized full scale space shuttle solid rocket boosted structure are computed with and without internal pressure and are compared with the 1/8 scale model results.

Final-state interactions in semi-inclusive deep inelastic scattering off the Deuteron

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

Wim Cosyn, Misak Sargsian

2011-07-01

Semi-inclusive deep inelastic scattering off the Deuteron with production of a slow nucleon in recoil kinematics is studied in the virtual nucleon approximation, in which the final state interaction (FSI) is calculated within general eikonal approximation. The cross section is derived in a factorized approach, with a factor describing the virtual photon interaction with the off-shell nucleon and a distorted spectral function accounting for the final-state interactions. One of the main goals of the study is to understand how much the general features of the diffractive high energy soft rescattering accounts for the observed features of FSI in deep inelasticmore » scattering (DIS). Comparison with the Jefferson Lab data shows good agreement in the covered range of kinematics. Most importantly, our calculation correctly reproduces the rise of the FSI in the forward direction of the slow nucleon production angle. By fitting our calculation to the data we extracted the W and Q{sup 2} dependences of the total cross section and slope factor of the interaction of DIS products, X, off the spectator nucleon. This analysis shows the XN scattering cross section rising with W and decreasing with an increase of Q{sup 2}. Finally, our analysis points at a largely suppressed off-shell part of the rescattering amplitude.« less

Nuclear structure studies of 141Ce and 147Sm using deep-inelastic collisions

NASA Astrophysics Data System (ADS)

Gass, E. J.; McCutchan, E. A.; Sonzogni, A. A.; Loveland, W.; Barrett, J. S.; Yanez, R.; Chiara, C. J.; Harker, J. L.; Walters, W. B.; Zhu, S.; Ayangeakaai, A. D.; Carpenter, M. P.; Greene, J. P.; Janssens, R. V. F.; Lauritsen, T.; Naïdja, H.

2017-09-01

Nuclei with a few valence nucleons outside of the magic numbers are essential for testing the nuclear shell model and gathering information on the residual interactions and energies of single-particle levels. The present work focused on the high-spin structures of 141Ce (N = 83) and 147Sm (N = 85). These nuclei are not produced by heavy-ion fusion-evaporation or fission reactions, therefore little was known about their high-spin structure. A deep-inelastic reaction using a beam of 136Xe incident on a thick target of 208Pb was used to populate excited states in the nuclei. The Gammasphere array at Argonne National Laboratory was used to detect the resulting de-excitation -ray transitions. The level schemes of both nuclei were significantly extended to high angular momentum and high excitation energy. In 141Ce, this included a number of states built on the i13/2, 1369-keV level. Results of the present analysis will be compared to state-of-the-art shell model calculations. Supported by US DOE under the SULI Program and Grant Nos. DE-FG06-97ER41026 and DE-FG02-94ER40834 and Contract Nos. DE-AC02-06CH11357 and DE-AC02-06CH10886.

Titanium dioxide@polypyrrole core-shell nanowires for all solid-state flexible supercapacitors

NASA Astrophysics Data System (ADS)

Yu, Minghao; Zeng, Yinxiang; Zhang, Chong; Lu, Xihong; Zeng, Chenghui; Yao, Chenzhong; Yang, Yangyi; Tong, Yexiang

2013-10-01

Herein, we developed a facile two-step process to synthesize TiO2@PPy core-shell nanowires (NWs) on carbon cloth and reported their improved electrochemical performance for flexible supercapacitors (SCs). The fabricated solid-state SC device based on TiO2@PPy core-shell NWs not only has excellent flexibility, but also exhibits remarkable electrochemical performance.Herein, we developed a facile two-step process to synthesize TiO2@PPy core-shell nanowires (NWs) on carbon cloth and reported their improved electrochemical performance for flexible supercapacitors (SCs). The fabricated solid-state SC device based on TiO2@PPy core-shell NWs not only has excellent flexibility, but also exhibits remarkable electrochemical performance. Electronic supplementary information (ESI) available: Experimental details, XRD pattern, FT-IR absorption spectrum and CV curves of TiO2@PPy NWs, and SEM images of the PPy. See DOI: 10.1039/c3nr03578f

An Efficient Analysis Methodology for Fluted-Core Composite Structures

NASA Technical Reports Server (NTRS)

Oremont, Leonard; Schultz, Marc R.

2012-01-01

The primary loading condition in launch-vehicle barrel sections is axial compression, and it is therefore important to understand the compression behavior of any structures, structural concepts, and materials considered in launch-vehicle designs. This understanding will necessarily come from a combination of test and analysis. However, certain potentially beneficial structures and structural concepts do not lend themselves to commonly used simplified analysis methods, and therefore innovative analysis methodologies must be developed if these structures and structural concepts are to be considered. This paper discusses such an analysis technique for the fluted-core sandwich composite structural concept. The presented technique is based on commercially available finite-element codes, and uses shell elements to capture behavior that would normally require solid elements to capture the detailed mechanical response of the structure. The shell thicknesses and offsets using this analysis technique are parameterized, and the parameters are adjusted through a heuristic procedure until this model matches the mechanical behavior of a more detailed shell-and-solid model. Additionally, the detailed shell-and-solid model can be strategically placed in a larger, global shell-only model to capture important local behavior. Comparisons between shell-only models, experiments, and more detailed shell-and-solid models show excellent agreement. The discussed analysis methodology, though only discussed in the context of fluted-core composites, is widely applicable to other concepts.

THREE-DIMENSIONAL MODELING OF THE DYNAMICS OF THERAPEUTIC ULTRASOUND CONTRAST AGENTS

PubMed Central

Hsiao, Chao-Tsung; Lu, Xiaozhen; Chahine, Georges

2010-01-01

A 3-D thick-shell contrast agent dynamics model was developed by coupling a finite volume Navier-Stokes solver and a potential boundary element method flow solver to simulate the dynamics of thick-shelled contrast agents subjected to pressure waves. The 3-D model was validated using a spherical thick-shell model validated by experimental observations. We then used this model to study shell break-up during nonspherical deformations resulting from multiple contrast agent interaction or the presence of a nearby solid wall. Our simulations indicate that the thick viscous shell resists the contrast agent from forming a re-entrant jet, as normally observed for an air bubble oscillating near a solid wall. Instead, the shell thickness varies significantly from location to location during the dynamics, and this could lead to shell break-up caused by local shell thinning and stretching. PMID:20950929

Analysis of Composite Skin-Stiffener Debond Specimens Using a Shell/3D Modeling Technique and Submodeling

NASA Technical Reports Server (NTRS)

OBrien, T. Kevin (Technical Monitor); Krueger, Ronald; Minguet, Pierre J.

2004-01-01

The application of a shell/3D modeling technique for the simulation of skin/stringer debond in a specimen subjected to tension and three-point bending was studied. The global structure was modeled with shell elements. A local three-dimensional model, extending to about three specimen thicknesses on either side of the delamination front was used to model the details of the damaged section. Computed total strain energy release rates and mixed-mode ratios obtained from shell/3D simulations were in good agreement with results obtained from full solid models. The good correlation of the results demonstrated the effectiveness of the shell/3D modeling technique for the investigation of skin/stiffener separation due to delamination in the adherents. In addition, the application of the submodeling technique for the simulation of skin/stringer debond was also studied. Global models made of shell elements and solid elements were studied. Solid elements were used for local submodels, which extended between three and six specimen thicknesses on either side of the delamination front to model the details of the damaged section. Computed total strain energy release rates and mixed-mode ratios obtained from the simulations using the submodeling technique were not in agreement with results obtained from full solid models.

Inelastic neutron scattering spectrum of cyclotrimethylenetrinitramine: a comparison with solid-state electronic structure calculations.

PubMed

Ciezak, Jennifer A; Trevino, S F

2006-04-20

Solid-state geometry optimizations and corresponding normal-mode analysis of the widely used energetic material cyclotrimethylenetrinitramine (RDX) were performed using density functional theory with both the generalized gradient approximation (BLYP and BP functionals) and the local density approximation (PWC and VWN functionals). The structural results were found to be in good agreement with experimental neutron diffraction data and previously reported calculations based on the isolated-molecule approximation. The vibrational inelastic neutron scattering (INS) spectrum of polycrystalline RDX was measured and compared with simulated INS constructed from the solid-state calculations. The vibrational frequencies calculated from the solid-state methods had average deviations of 10 cm(-1) or less, whereas previously published frequencies based on an isolated-molecule approximation had deviations of 65 cm(-1) or less, illustrating the importance of including crystalline forces. On the basis of the calculations and analysis, it was possible to assign the normal modes and symmetries, which agree well with previous assignments. Four possible "doorway modes" were found in the energy range defined by the lattice modes, which were all found to contain fundamental contributions from rotation of the nitro groups.

Criteria for applicability of the impulse approach to collisions

NASA Astrophysics Data System (ADS)

Sharma, Ramesh D.; Bakshi, Pradip M.; Sindoni, Joseph M.

1990-06-01

Using an exact formulation of impulse approach (IA) to atom-diatom collisions, we assess its internal consistency. By comparing the cross sections in the forward and reverse directions for the vibrational-rotational inelastic processes, using the half-on-the-shell (post and prior) models of the two-body t matrix, we show that in both cases the IA leads to a violation of the semidetailed balance (SDB) condition for small scattering angles. An off-shell model for the two-body t matrix, which preserves SDB, is shown to have other serious shortcomings. The cross sections are studied quantitatively as a function of the relative translational energy and the mass of the incident particle, and criteria discussed for the applicability of IA.

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

Sharma, R.D.; Bakshi, P.M.; Sindoni, J.M.

Using an exact formulation of impulse approach (IA) to atom-diatom collisions, we assess its internal consistency. By comparing the cross sections in the forward and reverse directions for the vibrational-rotational inelastic processes, using the half-on-the-shell (post and prior) models of the two-body {ital t} matrix, we show that in both cases the IA leads to a violation of the semidetailed balance (SDB) condition for small scattering angles. An off-shell model for the two-body {ital t} matrix, which preserves SDB, is shown to have other serious shortcomings. The cross sections are studied quantitatively as a function of the relative translational energymore » and the mass of the incident particle, and criteria discussed for the applicability of IA.« less

Understanding the quantum nature of low-energy C(3P j ) + He inelastic collisions.

PubMed

Bergeat, Astrid; Chefdeville, Simon; Costes, Michel; Morales, Sébastien B; Naulin, Christian; Even, Uzi; Kłos, Jacek; Lique, François

2018-05-01

Inelastic collisions that occur between open-shell atoms and other atoms or molecules, and that promote a spin-orbit transition, involve multiple interaction potentials. They are non-adiabatic by nature and cannot be described within the Born-Oppenheimer approximation; in particular, their theoretical modelling becomes very challenging when the collision energies have values comparable to the spin-orbit splitting. Here we study inelastic collisions between carbon in its ground state C( 3 P j=0 ) and helium atoms-at collision energies in the vicinity of spin-orbit excitation thresholds (~0.2 and 0.5 kJ mol -1 )-that result in spin-orbit excitation to C( 3 P j=1 ) and C( 3 P j=2 ). State-to-state integral cross-sections are obtained from crossed-beam experiments with a beam source that provides an almost pure beam of C( 3 P j=0 ) . We observe very good agreement between experimental and theoretical results (acquired using newly calculated potential energy curves), which validates our characterization of the quantum dynamical resonances that are observed. Rate coefficients at very low temperatures suitable for chemical modelling of the interstellar medium are also calculated.

Understanding the quantum nature of low-energy C(3Pj) + He inelastic collisions

NASA Astrophysics Data System (ADS)

Bergeat, Astrid; Chefdeville, Simon; Costes, Michel; Morales, Sébastien B.; Naulin, Christian; Even, Uzi; Kłos, Jacek; Lique, François

2018-05-01

Inelastic collisions that occur between open-shell atoms and other atoms or molecules, and that promote a spin-orbit transition, involve multiple interaction potentials. They are non-adiabatic by nature and cannot be described within the Born-Oppenheimer approximation; in particular, their theoretical modelling becomes very challenging when the collision energies have values comparable to the spin-orbit splitting. Here we study inelastic collisions between carbon in its ground state C(3Pj=0) and helium atoms—at collision energies in the vicinity of spin-orbit excitation thresholds ( 0.2 and 0.5 kJ mol-1)—that result in spin-orbit excitation to C(3Pj=1) and C(3Pj=2). State-to-state integral cross-sections are obtained from crossed-beam experiments with a beam source that provides an almost pure beam of C(3Pj=0) . We observe very good agreement between experimental and theoretical results (acquired using newly calculated potential energy curves), which validates our characterization of the quantum dynamical resonances that are observed. Rate coefficients at very low temperatures suitable for chemical modelling of the interstellar medium are also calculated.

A comparative study of inelastic scattering models at energy levels ranging from 0.5 keV to 10 keV

NASA Astrophysics Data System (ADS)

Hu, Chia-Yu; Lin, Chun-Hung

2017-03-01

Six models, including a single-scattering model, four hybrid models, and one dielectric function model, were evaluated using Monte Carlo simulations for aluminum and copper at incident beam energies ranging from 0.5 keV to 10 keV. The inelastic mean free path, mean energy loss per unit path length, and backscattering coefficients obtained by these models are compared and discussed to understand the merits of the various models. ANOVA (analysis of variance) statistical models were used to quantify the effects of inelastic cross section and energy loss models on the basis of the simulated results deviation from the experimental data for the inelastic mean free path, the mean energy loss per unit path length, and the backscattering coefficient, as well as their correlations. This work in this study is believed to be the first application of ANOVA models towards evaluating inelastic electron beam scattering models. This approach is an improvement over the traditional approach which involves only visual estimation of the difference between the experimental data and simulated results. The data suggests that the optimization of the effective electron number per atom, binding energy, and cut-off energy of an inelastic model for different materials at different beam energies is more important than the selection of inelastic models for Monte Carlo electron scattering simulation. During the simulations, parameters in the equations should be tuned according to different materials for different beam energies rather than merely employing default parameters for an arbitrary material. Energy loss models and cross-section formulas are not the main factors influencing energy loss. Comparison of the deviation of the simulated results from the experimental data shows a significant correlation (p < 0.05) between the backscattering coefficient and energy loss per unit path length. The inclusion of backscattering electrons generated by both primary and secondary electrons for backscattering coefficient simulation is recommended for elements with high atomic numbers. In hybrid models, introducing the inner shell ionization model improves the accuracy of simulated results.

Shape evolution of new-phased lepidocrocite VOOH from single-shelled to double-shelled hollow nanospheres on the basis of programmed reaction-temperature strategy.

PubMed

Wu, Changzheng; Zhang, Xiaodong; Ning, Bo; Yang, Jinlong; Xie, Yi

2009-07-06

Solid templates have been long regarded as one of the most promising ways to achieve single-shelled hollow nanostructures; however, few effective methods for the construction of multishelled hollow objects from their solid template counterparts have been developed. We report here, for the first time, a novel and convenient route to synthesizing double-shelled hollow spheres from the solid templates via programming the reaction-temperature procedures. The programmed temperature strategy developed in this work then provides an essential and general access to multishelled hollow nanostructures based on the designed extension of single-shelled hollow objects, independent of their outside contours, such as tubes, hollow spheres, and cubes. Starting from the V(OH)(2)NH(2) solid templates, we show that the relationship between the hollowing rate and the reaction temperature obey the Van't Hoff rule and Arrhenius activation-energy equation, revealing that it is the chemical reaction rather than the diffusion process that guided the whole hollowing process, despite the fact that the coupled reaction/diffusion process is involved in the hollowing process. Using the double-shelled hollow spheres as the PCM (CaCl(2).6H(2)O) matrix grants much better thermal-storage stability than that for the nanoparticles counterpart, revealing that the designed nanostructures can give rise to significant improvements for the energy-saving performance in future "smart house" systems.

Yrast excitations of neutron-rich nuclei around doubly magic Tin-132

NASA Astrophysics Data System (ADS)

Bhattacharyya, Pallab Kumar

Investigation of the yrast structures of neutron-rich nuclei around the double closed shell nucleus 132Sn is important in the understanding of simple two-body nucleon-nucleon interactions in that region. However conventional fusion-evaporation methods do not populate these nuclei and β-decay studies are useful only in studying low spin states. The spectroscopy of these nuclei from thick target γ-γ coincidence measurements of deep inelastic heavy ion collisions as well as from fission fragment γ-ray studies using large multidetector arrays are presented in this thesis. Analyses of data from the 124Sn + 665 MeV 136Xe and 130Te + 272 MeV 64Ni deep inelastic experiments identified new yrast isomers in the N = 80 nuclei 134Xe and 136Ba which de- excite by γ-ray cascades concluding with their known 4+/to2+ and 2+/to0+ transitions. The isomeric decay characteristics are presented and discussed in light of the systematic features in N = 80 isotones. By analyzing fission product γ-ray data measured at Eurogam II using a 248Cm source, yrast level structures of the two-, three- and four-proton N = 82 isotones 134Te, 135I and 136Xe were developed, and the proton-proton interactions from the two-body nucleus 134Te were used in interpreting 135I and 136Xe levels using shell model calculations. From the same data the yrast states in the N = 83 isotones 134Sb, 135Te, 136I and 137Xe were explored, and key proton-neutron interactions were extracted from the 134Sb level spectrum which were used in interpreting the levels of the other N = 83 isotones. Similarly yrast states in previously unexplored N = 81 isotones 132Sb and 133Te were also identified and interpreted with shell model calculations; the 132Sb level spectrum yielded important proton-neutron hole interactions. Neutron core-excited states at higher energies were also identified in most of these nuclei. For establishing isotopic assignments of unknown cascades, the γgamma cross coincidences between heavy and light fission partners were vital. Overall, both deep inelastic and fission product studies have contributed to the exploration of an otherwise inaccessible region of the nuclidic chart. This opens up a new horizon in studying the structure of these important neutron-rich nuclei.

Revisiting ignited-quenched transition and the non-Newtonian rheology of a sheared dilute gas-solid suspension

NASA Astrophysics Data System (ADS)

Saha, Saikat; Alam, Meheboob

2017-12-01

The hydrodynamics and rheology of a sheared dilute gas-solid suspension, consisting of inelastic hard-spheres suspended in a gas, are analysed using anisotropic Maxwellian as the single particle distribution function. The closed-form solutions for granular temperature and three invariants of the second-moment tensor are obtained as functions of the Stokes number ($St$), the mean density ($\

Alterations to the relativistic Love-Franey model and their application to inelastic scattering

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

Zeile, J.R.

The fictitious axial-vector and tensor mesons for the real part of the relativistic Love-Franey interaction are removed. In an attempt to make up for this loss, derivative couplings are used for the {pi} and {rho} mesons. Such derivative couplings require the introduction of axial-vector and tensor contact term corrections. Meson parameters are then fit to free nucleon-nucleon scattering data. The resulting fits are comparable to those of the relativistic Love-Franey model provided that the contact term corrections are included and the fits are weighted over the physically significant quantity of twice the tensor minus the axial-vector Lorentz invariants. Failure tomore » include contact term corrections leads to poor fits at higher energies. The off-shell behavior of this model is then examined by looking at several applications from inelastic proton-nucleus scattering.« less

Method and apparatus for generating microshells of refractory materials

NASA Technical Reports Server (NTRS)

Lee, Mark C. (Inventor); Schilling, Christopher (Inventor); Ladner, Jr., George O. (Inventor); Wang, Taylor G. (Inventor)

1987-01-01

A system is described for forming accurately spherical and centered fluid-filled shells, especially of high melting temperature material. Material which is to form the shells is placed in a solid form in a container, and the material is rapidly heated to a molten temperature to avoid recrystallization and the possible generation of unwanted microbubbles in the melt. Immediately after the molten shells are formed, they drop through a drop tower whose upper end is heated along a distance of at least one foot to provide time for dissipation of surface waves on the shells while they cool to a highly viscous, or just above melting temperature so that the bubble within the shell will not rise and become off centered. The rest of the tower is cryogenically cooled to cool the shell to a solid state.

Optical oscillator strengths of the valence-shell excitations of atoms and molecules determined by the dipole ( γ,γ) method

NASA Astrophysics Data System (ADS)

Xu, Long-Quan; Liu, Ya-Wei; Xu, Xin; Ni, Dong-Dong; Yang, Ke; Zhu, Lin-Fan

2017-07-01

The dipole (γ,γ) method, which is the inelastic X-ray scattering operated at a negligibly small momentum transfer, has been developed to determine the absolute optical oscillator strengths of the valence-shell excitations of atoms and molecules. This new method is free from the line saturation effect, and its Bethe-Born conversion factor varies much more slowly with the excitation energy than that of the dipole (e, e) method. Thus the dipole (γ,γ) method provides a reliable approach to obtain the benchmark optical oscillator strengths of the valence-shell excitations for gaseous atoms and molecules. In this paper, we give a review of the dipole (γ,γ) method and some recent measurements of absolute optical oscillator strengths of gaseous atoms and molecules. Contribution to the Topical Issue "Atomic and Molecular Data and their Applications", edited by Gordon W.F. Drake, Jung-Sik Yoon, Daiji Kato, Grzegorz Karwasz.

Plume Activity and Tidal Deformation on Enceladus Influenced by Faults and Variable Ice Shell Thickness

NASA Astrophysics Data System (ADS)

Běhounková, Marie; Souček, Ondřej; Hron, Jaroslav; Čadek, Ondřej

2017-09-01

We investigated the effect of variations in ice shell thickness and of the tiger stripe fractures crossing Enceladus' south polar terrain on the moon's tidal deformation by performing finite element calculations in three-dimensional geometry. The combination of thinning in the polar region and the presence of faults has a synergistic effect that leads to an increase of both the displacement and stress in the south polar terrain by an order of magnitude compared to that of the traditional model with a uniform shell thickness and without faults. Assuming a simplified conductive heat transfer and neglecting the heat sources below the ice shell, we computed the global heat budget of the ice shell. For the inelastic properties of the shell described by a Maxwell viscoelastic model, we show that unrealistically low average viscosity of the order of 10^{13} Pa s is necessary for preserving the volume of the ocean, suggesting the important role of the heat sources in the deep interior. Similarly, low viscosity is required to predict the observed delay of the plume activity, which hints at other delaying mechanisms than just the viscoelasticity of the ice shell. The presence of faults results in large spatial and temporal heterogeneity of geysering activity compared to the traditional models without faults. Our model contributes to understanding the physical mechanisms that control the fault activity, and it provides potentially useful information for future missions that will sample the plume for evidence of life.

Neoclassical Diffusion of Radiation-Belt Electrons Across Very Low L -shells

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

Cunningham, Gregory S.; Loridan, Vivien; Ripoll, Jean-Francois

In the presence of drift-shell splitting intrinsic to the IGRF magnetic field model, pitch-angle scattering from Coulomb collisions experienced by radiation-belt electrons in the upper atmosphere and ionosphere produces extra radial diffusion, a form of neoclassical diffusion. The strength of the neoclassical radial diffusion at L < 1.2 exceeds that expected there from radial-diffusion mechanisms traditionally considered, and decreases with increasing L-shell. In this study we construct a numerical model for this coupled (radial and pitch-angle) collisional diffusion process and apply it to simulate raw count-rate data observed aboard the Gemini spacecraft for several years after the 1962 Starfish nuclearmore » detonation. The data show apparent lifetimes 10-100 times as long as would have been expected from collisional pitch-angle diffusion and Coulomb drag alone. Our model reproduces apparent lifetimes for >0.5-MeV electrons in the region 1.14 < L < 1.26 to within a factor of two (comparable to the uncertainty quoted for the observations). We conclude that neoclassical radial diffusion (resulting from drift-shell splitting intrinsic to IGRF's azimuthal asymmetries) mitigates the decay expected from collisional pitch-angle diffusion and inelastic energy loss alone and thus contributes importantly to the long apparent lifetimes observed at these low L-shells.« less

Neoclassical Diffusion of Radiation-Belt Electrons Across Very Low L -shells

DOE PAGES

Cunningham, Gregory S.; Loridan, Vivien; Ripoll, Jean-Francois; ...

2018-03-30

In the presence of drift-shell splitting intrinsic to the IGRF magnetic field model, pitch-angle scattering from Coulomb collisions experienced by radiation-belt electrons in the upper atmosphere and ionosphere produces extra radial diffusion, a form of neoclassical diffusion. The strength of the neoclassical radial diffusion at L < 1.2 exceeds that expected there from radial-diffusion mechanisms traditionally considered, and decreases with increasing L-shell. In this study we construct a numerical model for this coupled (radial and pitch-angle) collisional diffusion process and apply it to simulate raw count-rate data observed aboard the Gemini spacecraft for several years after the 1962 Starfish nuclearmore » detonation. The data show apparent lifetimes 10-100 times as long as would have been expected from collisional pitch-angle diffusion and Coulomb drag alone. Our model reproduces apparent lifetimes for >0.5-MeV electrons in the region 1.14 < L < 1.26 to within a factor of two (comparable to the uncertainty quoted for the observations). We conclude that neoclassical radial diffusion (resulting from drift-shell splitting intrinsic to IGRF's azimuthal asymmetries) mitigates the decay expected from collisional pitch-angle diffusion and inelastic energy loss alone and thus contributes importantly to the long apparent lifetimes observed at these low L-shells.« less

Neoclassical Diffusion of Radiation-Belt Electrons Across Very Low L-Shells

NASA Astrophysics Data System (ADS)

Cunningham, Gregory S.; Loridan, Vivien; Ripoll, Jean-François; Schulz, Michael

2018-04-01

In the presence of drift-shell splitting intrinsic to the International Geomagnetic Reference Field magnetic field model, pitch angle scattering from Coulomb collisions experienced by radiation-belt electrons in the upper atmosphere and ionosphere produces extra radial diffusion, a form of neoclassical diffusion. The strength of the neoclassical radial diffusion at L < 1.2 exceeds that expected there from radial-diffusion mechanisms traditionally considered and decreases with increasing L-shell. In this work we construct a numerical model for this coupled (radial and pitch angle) collisional diffusion process and apply it to simulate raw count-rate data observed aboard the Gemini spacecraft for several years after the 1962 Starfish nuclear detonation. The data show apparent lifetimes 10-100 times as long as would have been expected from collisional pitch angle diffusion and Coulomb drag alone. Our model reproduces apparent lifetimes for >0.5-MeV electrons in the region 1.14 < L < 1.26 to within a factor of 2 (comparable to the uncertainty quoted for the observations). We conclude that neoclassical radial diffusion (resulting from drift-shell splitting intrinsic to International Geomagnetic Reference Field's azimuthal asymmetries) mitigates the decay expected from collisional pitch angle diffusion and inelastic energy loss alone and thus contributes importantly to the long apparent lifetimes observed at these low L-shells.

Advanced solid elements for sheet metal forming simulation

NASA Astrophysics Data System (ADS)

Mataix, Vicente; Rossi, Riccardo; Oñate, Eugenio; Flores, Fernando G.

2016-08-01

The solid-shells are an attractive kind of element for the simulation of forming processes, due to the fact that any kind of generic 3D constitutive law can be employed without any additional hypothesis. The present work consists in the improvement of a triangular prism solid-shell originally developed by Flores[2, 3]. The solid-shell can be used in the analysis of thin/thick shell, undergoing large deformations. The element is formulated in total Lagrangian formulation, and employs the neighbour (adjacent) elements to perform a local patch to enrich the displacement field. In the original formulation a modified right Cauchy-Green deformation tensor (C) is obtained; in the present work a modified deformation gradient (F) is obtained, which allows to generalise the methodology and allows to employ the Pull-Back and Push-Forwards operations. The element is based in three modifications: (a) a classical assumed strain approach for transverse shear strains (b) an assumed strain approach for the in-plane components using information from neighbour elements and (c) an averaging of the volumetric strain over the element. The objective is to use this type of elements for the simulation of shells avoiding transverse shear locking, improving the membrane behaviour of the in-plane triangle and to handle quasi-incompressible materials or materials with isochoric plastic flow.

Synthesis of hollow silica spheres with hierarchical shell structure by the dual action of liquid indium microbeads in vapor-liquid-solid growth.

PubMed

Wang, Jian-Tao; Wang, Hui; Ou, Xue-Mei; Lee, Chun-Sing; Zhang, Xiao-Hong

2011-07-05

Geometry-based adhesion arising from hierarchical surface structure enables microspheres to adhere to cells strongly, which is essential for inorganic microcapsules that function as drug delivery or diagnostic imaging agents. However, constructing a hierarchical structure on the outer shell of the products via the current microcapsule synthesis method is difficult. This work presents a novel approach to fabricating hollow microspheres with a hierarchical shell structure through the vapor-liquid-solid (VLS) process in which liquid indium droplets act as both templates for the formation of silica capsules and catalysts for the growth of hierarchical shell structure. This hierarchical shell structure offers the hollow microsphere an enhanced geometry-based adhesion. The results provide a facile method for fabricating hollow spheres and enriching their function through tailoring the geometry of their outer shells. © 2011 American Chemical Society

Characterization of core–shell MOF particles by depth profiling experiments using on-line single particle mass spectrometry

DOE PAGES

Cahill, J. F.; Fei, H.; Cohen, S. M.; ...

2015-01-05

Materials with core-shell structures have distinct properties that lend themselves to a variety of potential applications. Characterization of small particle core-shell materials presents a unique analytical challenge. Herein, single particles of solid-state materials with core-shell structures were measured using on-line aerosol time-of-flight mass spectrometry (ATOFMS). Laser 'depth profiling' experiments verified the core-shell nature of two known core-shell particle configurations (< 2 mu m diameter) that possessed inverted, complimentary core-shell compositions (ZrO2@SiO2 versus SiO2@ZrO2). The average peak area ratios of Si and Zr ions were calculated to definitively show their core-shell composition. These ratio curves acted as a calibrant for anmore » uncharacterized sample - a metal-organic framework (MOF) material surround by silica (UiO-66(Zr)@SiO2; UiO = University of Oslo). ATOFMS depth profiling was used to show that these particles did indeed exhibit a core-shell architecture. The results presented here show that ATOFMS can provide unique insights into core-shell solid-state materials with particle diameters between 0.2-3 mu m.« less

Investigation of mechanical properties and deformation behavior of single-crystal Al-Cu core-shell nanowire generated using non-equilibrium molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Sarkar, Jit

2018-06-01

Molecular dynamics (MD) simulation studies were carried out to generate a cylindrical single-crystal Al-Cu core-shell nanowire and its mechanical properties like yield strength and Young's modulus were evaluated in comparison to a solid aluminum nanowire and hollow copper nanowire which combines to constitute the core-shell structure respectively. The deformation behavior due to changes in the number of Wigner-Seitz defects and dislocations during the entire tensile deformation process was thoroughly studied for the Al-Cu core-shell nanowire. The single-crystal Al-Cu core-shell nanowire shows much higher yield strength and Young's modulus in comparison to the solid aluminum core and hollow copper shell nanowire due to tangling of dislocations caused by lattice mismatch between aluminum and copper. Thus, the Al-Cu core-shell nanowire can be reinforced in different bulk matrix to develop new type of light-weight nanocomposite materials with greatly enhanced material properties.

Non-resonant inelastic x-ray scattering spectra of lithiated titanium oxides for battery applications

NASA Astrophysics Data System (ADS)

Nagle, Kenneth; Balasubramanian, Mali; Johnson, Christopher; Seidler, Gerald; Belharouak, Ilias

2008-03-01

Although lithium-ion batteries now see widespread use, there remain considerable questions concerning the basic solid state chemistry of both electrodes. Improved understanding of the local electronic structure, particularly the mechanism of charge transfer upon insertion and removal of lithium, could lead to innovation in battery design and improved performance. We present non-resonant inelastic x-ray scattering (NRIXS) spectra from 2p initial states in titanium; these spectra are among the first recorded for such states in a transition metal. These spectra were obtained using the lower energy resolution inelastic x-ray scattering (LERIX) spectrometer, which is capable of making simultaneous measurements at nineteen values of momentum transfer. We demonstrate the ability to obtain soft x-ray absorption-like information using a bulk-sensitive, hard x-ray technique. In addition, at high momentum transfer NRIXS provides information about non-dipole transitions that are inaccessible by soft x-ray spectroscopic methods.

Measurement of the structure function of the nearly free neutron using spectator tagging in inelastic 2H(e ,e'ps )X scattering with CLAS

NASA Astrophysics Data System (ADS)

Tkachenko, S.; Baillie, N.; Kuhn, S. E.; Zhang, J.; Arrington, J.; Bosted, P.; Bültmann, S.; Christy, M. E.; Fenker, H.; Griffioen, K. A.; Kalantarians, N.; Keppel, C. E.; Melnitchouk, W.; Tvaskis, V.; Adhikari, K. P.; Aghasyan, M.; Amaryan, M. J.; Anefalos Pereira, S.; Avakian, H.; Ball, J.; Baltzell, N. A.; Battaglieri, M.; Bedlinskiy, I.; Biselli, A. S.; Briscoe, W. J.; Brooks, W. K.; Burkert, V. D.; Carman, D. S.; Celentano, A.; Chandavar, S.; Charles, G.; Cole, P. L.; Contalbrigo, M.; Cortes, O.; Crede, V.; D'Angelo, A.; Dashyan, N.; De Vita, R.; De Sanctis, E.; Deur, A.; Djalali, C.; Dodge, G. E.; Doughty, D.; Dupre, R.; Egiyan, H.; El Alaoui, A.; El Fassi, L.; Elouadrhiri, L.; Eugenio, P.; Fedotov, G.; Fleming, J. A.; Garillon, B.; Gevorgyan, N.; Ghandilyan, Y.; Gilfoyle, G. P.; Giovanetti, K. L.; Girod, F. X.; Goetz, J. T.; Golovatch, E.; Gothe, R. W.; Guidal, M.; Guo, L.; Hafidi, K.; Hakobyan, H.; Hanretty, C.; Harrison, N.; Hattawy, M.; Hicks, K.; Ho, D.; Holtrop, M.; Hyde, C. E.; Ilieva, Y.; Ireland, D. G.; Ishkhanov, B. S.; Jo, H. S.; Keller, D.; Khandaker, M.; Kim, A.; Kim, W.; King, P. M.; Klein, A.; Klein, F. J.; Koirala, S.; Kubarovsky, V.; Kuleshov, S. V.; Lenisa, P.; Lewis, S.; Livingston, K.; Lu, H.; MacCormick, M.; MacGregor, I. J. D.; Markov, N.; Mayer, M.; McKinnon, B.; Mineeva, T.; Mirazita, M.; Mokeev, V.; Montgomery, R. A.; Moutarde, H.; Munoz Camacho, C.; Nadel-Turonski, P.; Niccolai, S.; Niculescu, G.; Niculescu, I.; Osipenko, M.; Pappalardo, L. L.; Paremuzyan, R.; Park, K.; Pasyuk, E.; Phillips, J. J.; Pisano, S.; Pogorelko, O.; Pozdniakov, S.; Price, J. W.; Procureur, S.; Protopopescu, D.; Puckett, A. J. R.; Rimal, D.; Ripani, M.; Rizzo, A.; Rosner, G.; Rossi, P.; Roy, P.; Sabatié, F.; Schott, D.; Schumacher, R. A.; Seder, E.; Senderovich, I.; Sharabian, Y. G.; Simonyan, A.; Smith, G. D.; Sober, D. I.; Sokhan, D.; Stepanyan, S.; Stepanyan, S. S.; Strauch, S.; Tang, W.; Ungaro, M.; Vlassov, A. V.; Voskanyan, H.; Voutier, E.; Walford, N. K.; Watts, D.; Wei, X.; Weinstein, L. B.; Wood, M. H.; Zana, L.; Zonta, I.; CLAS Collaboration

2014-04-01

Background: Much less is known about neutron structure than that of the proton due to the absence of free neutron targets. Neutron information is usually extracted from data on nuclear targets such as deuterium, requiring corrections for nuclear binding and nucleon off-shell effects. These corrections are model dependent and have significant uncertainties, especially for large values of the Bjorken scaling variable x . As a consequence, the same data can lead to different conclusions, for example, about the behavior of the d quark distribution in the proton at large x . Purpose: The Barely Off-shell Nucleon Structure experiment at Jefferson Lab measured the inelastic electron-deuteron scattering cross section, tagging spectator protons in coincidence with the scattered electrons. This method reduces nuclear binding uncertainties significantly and has allowed for the first time a (nearly) model-independent extraction of the neutron structure function F2(x ,Q2) in the resonance and deep-inelastic regions. Method: A novel compact radial time projection chamber was built to detect protons with momentum between 70 and 150 MeV/c and over a nearly 4 π angular range. For the extraction of the free-neutron structure function F2n, spectator protons at backward angles (>100∘ relative to the momentum transfer) and with momenta below 100 MeV/c were selected, ensuring that the scattering took place on a nearly free neutron. The scattered electrons were detected with Jefferson Lab's CLAS spectrometer, with data taken at beam energies near 2, 4, and 5 GeV. Results: The extracted neutron structure function F2n and its ratio to the inclusive deuteron structure function F2d are presented in both the resonance and the deep-inelastic regions for momentum transfer squared Q2 between 0.7 and 5 GeV2/c2 , invariant mass W between 1 and 2.7 GeV/c2 , and Bjorken x between 0.25 and 0.6 (in the deep-inelastic scattering region). The dependence of the semi-inclusive cross section on the spectator proton momentum and angle is investigated, and tests of the spectator mechanism for different kinematics are performed. Conclusions: Our data set on the structure function ratio F2n/F2d can be used to study neutron resonance excitations, test quark-hadron duality in the neutron, develop more precise parametrizations of structure functions, and investigate binding effects (including possible mechanisms for the nuclear EMC effect) and provide a first glimpse of the asymptotic behavior of d /u at x →1 .

On the equivalence between traction- and stress-based approaches for the modeling of localized failure in solids

NASA Astrophysics Data System (ADS)

Wu, Jian-Ying; Cervera, Miguel

2015-09-01

This work investigates systematically traction- and stress-based approaches for the modeling of strong and regularized discontinuities induced by localized failure in solids. Two complementary methodologies, i.e., discontinuities localized in an elastic solid and strain localization of an inelastic softening solid, are addressed. In the former it is assumed a priori that the discontinuity forms with a continuous stress field and along the known orientation. A traction-based failure criterion is introduced to characterize the discontinuity and the orientation is determined from Mohr's maximization postulate. If the displacement jumps are retained as independent variables, the strong/regularized discontinuity approaches follow, requiring constitutive models for both the bulk and discontinuity. Elimination of the displacement jumps at the material point level results in the embedded/smeared discontinuity approaches in which an overall inelastic constitutive model fulfilling the static constraint suffices. The second methodology is then adopted to check whether the assumed strain localization can occur and identify its consequences on the resulting approaches. The kinematic constraint guaranteeing stress boundedness and continuity upon strain localization is established for general inelastic softening solids. Application to a unified stress-based elastoplastic damage model naturally yields all the ingredients of a localized model for the discontinuity (band), justifying the first methodology. Two dual but not necessarily equivalent approaches, i.e., the traction-based elastoplastic damage model and the stress-based projected discontinuity model, are identified. The former is equivalent to the embedded and smeared discontinuity approaches, whereas in the later the discontinuity orientation and associated failure criterion are determined consistently from the kinematic constraint rather than given a priori. The bi-directional connections and equivalence conditions between the traction- and stress-based approaches are classified. Closed-form results under plane stress condition are also given. A generic failure criterion of either elliptic, parabolic or hyperbolic type is analyzed in a unified manner, with the classical von Mises (J2), Drucker-Prager, Mohr-Coulomb and many other frequently employed criteria recovered as its particular cases.

Deformation in Micro Roll Forming of Bipolar Plate

NASA Astrophysics Data System (ADS)

Zhang, P.; Pereira, M.; Rolfe, B.; Daniel, W.; Weiss, M.

2017-09-01

Micro roll forming is a new processing technology to produce bipolar plates for Proton Exchange Membrane Fuel Cells (PEMFC) from thin stainless steel foil. To gain a better understanding of the deformation of the material in this process, numerical studies are necessary before experimental implementation. In general, solid elements with several layers through the material thickness are required to analyse material thinning in processes where the deformation mode is that of bending combined with tension, but this results in high computational costs. This pure solid element approach is especially time-consuming when analysing roll forming processes which generally involves feeding a long strip through a number of successive roll stands. In an attempt to develop a more efficient modelling approach without sacrificing accuracy, two solutions are numerically analysed with ABAQUS/Explicit in this paper. In the first, a small patch of solid elements over the strip width and in the centre of the “pre-cut” sheet is coupled with shell elements while in the second approach pure shell elements are used to discretize the full sheet. In the first approach, the shell element enables accounting for the effect of material being held in the roll stands on material flow while solid elements can be applied to analyse material thinning in a small discrete area of the sheet. Experimental micro roll forming trials are performed to prove that the coupling of solid and shell elements can give acceptable model accuracy while using shell elements alone is shown to result in major deviations between numerical and experimental results.

Quantum State-Resolved Reactive and Inelastic Scattering at Gas-Liquid and Gas-Solid Interfaces

NASA Astrophysics Data System (ADS)

Grütter, Monika; Nelson, Daniel J.; Nesbitt, David J.

2012-06-01

Quantum state-resolved reactive and inelastic scattering at gas-liquid and gas-solid interfaces has become a research field of considerable interest in recent years. The collision and reaction dynamics of internally cold gas beams from liquid or solid surfaces is governed by two main processes, impulsive scattering (IS), where the incident particles scatter in a few-collisions environment from the surface, and trapping-desorption (TD), where full equilibration to the surface temperature (T{TD}≈ T{s}) occurs prior to the particles' return to the gas phase. Impulsive scattering events, on the other hand, result in significant rotational, and to a lesser extent vibrational, excitation of the scattered molecules, which can be well-described by a Boltzmann-distribution at a temperature (T{IS}>>T{s}). The quantum-state resolved detection used here allows the disentanglement of the rotational, vibrational, and translational degrees of freedom of the scattered molecules. The two examples discussed are (i) reactive scattering of monoatomic fluorine from room-temperature ionic liquids (RTILs) and (ii) inelastic scattering of benzene from a heated (˜500 K) gold surface. In the former experiment, rovibrational states of the nascent HF beam are detected using direct infrared absorption spectroscopy, and in the latter, a resonace-enhanced multi-photon-ionization (REMPI) scheme is employed in combination with a velocity-map imaging (VMI) device, which allows the detection of different vibrational states of benzene excited during the scattering process. M. E. Saecker, S. T. Govoni, D. V. Kowalski, M. E. King and G. M. Nathanson Science 252, 1421, 1991. A. M. Zolot, W. W. Harper, B. G. Perkins, P. J. Dagdigian and D. J. Nesbitt J. Chem. Phys 125, 021101, 2006. J. R. Roscioli and D. J. Nesbitt Faraday Disc. 150, 471, 2011.

Effect of solid state fermentation of peanut shell on its dye adsorption performance.

PubMed

Liu, Jiayang; Wang, Zhixin; Li, Hongyan; Hu, Changwei; Raymer, Paul; Huang, Qingguo

2018-02-01

The effect of solid state fermentation of peanut shell to produce beneficial laccase and on its dye adsorption performance was evaluated. The resulting residues from solid fermentation were tested as sorbents (designated as SFs) in comparison to the raw peanut shell (RPS) for their ability to remove crystal violet from water. The fermentation process reduced the adsorption capacity (q m ) of SF by about 50%, and changed the sorptive behavior when compared to the RPS. The Langmuir model was more suitable for fitting adsorption by SFs. q m was positively correlated with the surface area of peanut shell, but negatively correlated with acid detergent lignin content. For all the sorbents tested, the process was spontaneous and endothermic, and the adsorption followed both the pseudo 1st and 2nd order kinetic model and the film diffusion model. Dye adsorption efficiency was greater when SFs dispersed solution than when placed in filter packets. Copyright © 2017 Elsevier Ltd. All rights reserved.

Short-Range Nucleon-Nucleon Correlations

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

Douglas Higinbotham

2011-10-01

Valence-shell nucleon knock-out experiments, such as 12C(e,e'p)11B, measure less strength then is predicted by independent particle shell model calculations. The theoretical solution to this problem is to include the correlations between the nucleons in the nucleus in the calculations. Motivated by these results, many electron scattering experiments have tried to directly observe these correlations in order to gain new insight into the short-range part of the nucleon-nucleon potential. Unfortunately, many competing mechanisms can cause the same observable final-state as an initial-state correlation, making truly isolating the signal extremely challenging. This paper reviews the recent experimental evidence for short-range correlations, asmore » well as explores the possibility that such correlations are responsible for the EMC effect in the 0.3 < xB < 0.7 deep inelastic scattering ratios.« less

Study of near-stability nuclei populated as fission fragments in heavy-ion fusion reactions

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

Fotiadis, Nikolaos; Nelson, Ronald O; Devlin, Matthew

2010-01-01

Examples are presented to illustrate the power of prompt {gamma}-ray spectroscopy of fission fragments from compound nuclei with A {approx} 200 formed in fusion-evaporation reactions in experiments using the Gammasphere Ge-detector array. Complementary methods, such as Coulomb excitation and deep-inelastic processes, are also discussed. In other cases (n, xn{gamma}) reactions on stable isotopes have been used to establish neutron excitation functions for {gamma}-rays using a pulsed 'white'-neutron source, coupled to a high-energy-resolution germanium-detector array. The excitation functions can unambiguously assign {gamma}-rays to a specific reaction product. Results from all these methods bridge the gaps in the systematics of high-spin statesmore » between the neutron-deficient and neutron-rich nuclei. Results near shell closures should motivate new shell model calculations.« less

Gamma-ray Transition Matrix Elements in ^21Na: First TIGRESS Radioactive Beam Experiment

NASA Astrophysics Data System (ADS)

Hackman, Greg

2007-04-01

Modern shell model calculations should be expected to reliably reproduce the properties of the deformed five-particle nucleus ^21Na. However the lowest-lying B(E2) value deduced from lifetime and mixing ratio measurements disagrees with models by an unacceptably large factor of two. To measure the B(E2) values directly, a beam of ^21Na at 1.7 MeV/u from the TRIUMF ISAC facility was directed upon a 0.5 mg/cm^2 ^natTi target. Gamma-ray yield in coincidence with inelastically scattered heavy ions was measured with two TIGRESS high energy- and position-resolution germanium detector units and the BAMBINO highly segmented silicon detector system. The result resolves the discrepancy between the shell model and prior measurements. This represents the first radioactive in-beam experiment with TIGRESS.

Combination of rice husk and coconut shell activated adsorbent to adsorb Pb(II) ionic metal and it’s analysis using solid-phase spectrophotometry (sps)

NASA Astrophysics Data System (ADS)

Rohmah, D. N.; Saputro, S.; Masykuri, M.; Mahardiani, L.

2018-03-01

The purpose of this research was to know the effect and determine the mass comparation which most effective combination between rice husk and coconut shell activated adsorbent to adsorb Pb (II) ion using SPS method. This research used experimental method. Technique to collecting this datas of this research is carried out by several stages, which are: (1) carbonization of rice husk and coconut shell adsorbent using muffle furnace at a temperature of 350°C for an hour; (2) activation of the rice husk and coconut shell adsorbent using NaOH 1N and ZnCl2 15% activator; (3) contacting the adsorbent of rice husk and coconut shell activated adsorbent with liquid waste simulation of Pb(II) using variation comparison of rice husk and coconut shell, 1:0; 0:1; 1:1; 2:1; 1:2; (4) analysis of Pb(II) using Solid-Phase Spectrophotometry (SPS); (5) characterization of combination rice husk and coconut shell activated adsorbent using FTIR. The result of this research show that the combined effect of combination rice husk and coconut shell activated adsorbent can increase the ability of the adsorbent to absorb Pb(II) ion then the optimum adsorbent mass ratio required for absorbing 20 mL of Pb(II) ion with a concentration of 49.99 µg/L is a ratio of 2:1 with the absorption level of 97,06%Solid-Phase Spectrophotometry (SPS) is an effective method in the level of µg/L, be marked with the Limit of Detection (LOD) of 0.03 µg/L.

Plume Activity and Tidal Deformation on Enceladus Influenced by Faults and Variable Ice Shell Thickness

PubMed Central

Souček, Ondřej; Hron, Jaroslav; Čadek, Ondřej

2017-01-01

Abstract We investigated the effect of variations in ice shell thickness and of the tiger stripe fractures crossing Enceladus' south polar terrain on the moon's tidal deformation by performing finite element calculations in three-dimensional geometry. The combination of thinning in the polar region and the presence of faults has a synergistic effect that leads to an increase of both the displacement and stress in the south polar terrain by an order of magnitude compared to that of the traditional model with a uniform shell thickness and without faults. Assuming a simplified conductive heat transfer and neglecting the heat sources below the ice shell, we computed the global heat budget of the ice shell. For the inelastic properties of the shell described by a Maxwell viscoelastic model, we show that unrealistically low average viscosity of the order of 1013 Pa s is necessary for preserving the volume of the ocean, suggesting the important role of the heat sources in the deep interior. Similarly, low viscosity is required to predict the observed delay of the plume activity, which hints at other delaying mechanisms than just the viscoelasticity of the ice shell. The presence of faults results in large spatial and temporal heterogeneity of geysering activity compared to the traditional models without faults. Our model contributes to understanding the physical mechanisms that control the fault activity, and it provides potentially useful information for future missions that will sample the plume for evidence of life. Key Words: Enceladus—Tidal deformation—Faults—Variable ice shell thickness—Tidal heating—Plume activity and timing. Astrobiology 17, 941–954. PMID:28816521

Contact solution algorithms

NASA Technical Reports Server (NTRS)

Tielking, John T.

1989-01-01

Two algorithms for obtaining static contact solutions are described in this presentation. Although they were derived for contact problems involving specific structures (a tire and a solid rubber cylinder), they are sufficiently general to be applied to other shell-of-revolution and solid-body contact problems. The shell-of-revolution contact algorithm is a method of obtaining a point load influence coefficient matrix for the portion of shell surface that is expected to carry a contact load. If the shell is sufficiently linear with respect to contact loading, a single influence coefficient matrix can be used to obtain a good approximation of the contact pressure distribution. Otherwise, the matrix will be updated to reflect nonlinear load-deflection behavior. The solid-body contact algorithm utilizes a Lagrange multiplier to include the contact constraint in a potential energy functional. The solution is found by applying the principle of minimum potential energy. The Lagrange multiplier is identified as the contact load resultant for a specific deflection. At present, only frictionless contact solutions have been obtained with these algorithms. A sliding tread element has been developed to calculate friction shear force in the contact region of the rolling shell-of-revolution tire model.

Optimization of ultrasound extraction of phenolic compounds from coconut (Cocos nucifera) shell powder by response surface methodology.

PubMed

Rodrigues, Sueli; Pinto, Gustavo A S; Fernandes, Fabiano A N

2008-01-01

Coconut is a tropical fruit largely consumed in many countries. In some areas of the Brazilian coast, coconut shell represents more than 60% of the domestic waste volume. The coconut shell is composed mainly of lignin and cellulose, having a chemical composition very similar to wood and suitable for phenolic extraction. In this work, the use of ultrasound to extract phenolic compounds from coconut shell was evaluated. The effect of temperature, solution to solid ratio, pH and extraction time were evaluated through a 2(4) experimental planning. The extraction process was also optimized using surface response methodology. At the optimum operating condition (30 degrees C, solution to solid ratio of 50, 15 min of extraction and pH 6.5) the process yielded 22.44 mg of phenolic compounds per gram of coconut shell.

Accessing the nucleon transverse structure in inclusive deep inelastic scattering

DOE PAGES

Accardi, Alberto; Bacchetta, Alessandro

2017-09-06

Here, we revisit the standard analysis of inclusive Deep Inelastic Scattering off nucleons taking into account the fact that on-shell quarks cannot be present in the final state, but they rather decay into hadrons - a process that can be described in terms of suitable "jet" correlators. As a consequence, a spin-flip term associated with the invariant mass of the produced hadrons is generated non perturbatively and couples to the target's transversity distribution function. In inclusive cross sections, this provides an hitherto neglected and large contribution to the twist-3 part of the g 2 structure function, that can explain themore » discrepancy between recent calculations and fits of this quantity. It also provides an extension of the Burkhardt-Cottingham sum rule, putting constraints on the small-x behavior of the transversity function, as well as an extension of the Efremov-Teryaev-Leader sum rule, suggesting a novel way to measure the tensor charge of the proton.« less

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

Jay, Raphael M.; Norell, Jesper; Eckert, Sebastian

Soft X-ray spectroscopies are ideal probes of the local valence electronic structure of photocatalytically active metal sites. Here, we apply the selectivity of time-resolved resonant inelastic X-ray scattering at the iron L-edge to the transient charge distribution of an optically excited charge-transfer state in aqueous ferricyanide. Through comparison to steady-state spectra and quantum chemical calculations, the coupled effects of valence-shell closing and ligand-hole creation are experimentally and theoretically disentangled and described in terms of orbital occupancy, metal–ligand covalency, and ligand field splitting, thereby extending established steady-state concepts to the excited-state domain. π-Back-donation is found to be mainly determined by themore » metal site occupation, whereas the ligand hole instead influences σ-donation. Here, our results demonstrate how ultrafast resonant inelastic X-ray scattering can help characterize local charge distributions around catalytic metal centers in short-lived charge-transfer excited states, as a step toward future rationalization and tailoring of photocatalytic capabilities of transition-metal complexes.« less

Two-magnon excitations in resonant inelastic x-ray scattering studied within spin density wave formalism

NASA Astrophysics Data System (ADS)

Nomura, Takuji

2017-10-01

We study two-magnon excitations in resonant inelastic x-ray scattering (RIXS) at the transition-metal K edge. Instead of working with effective Heisenberg spin models, we work with a Hubbard-type model (d -p model) for a typical insulating cuprate La2CuO4 . For the antiferromagnetic ground state within the spin density wave (SDW) mean-field formalism, we calculate the dynamical correlation function within the random-phase approximation (RPA), and then obtain two-magnon excitation spectra by calculating the convolution of it. Coupling between the K -shell hole and the magnons in the intermediate state is calculated by means of diagrammatic perturbation expansion in the Coulomb interaction. The calculated momentum dependence of RIXS spectra agrees well with that of experiments. A notable difference from previous calculations based on the Heisenberg spin models is that RIXS spectra have a large two-magnon weight near the zone center, which may be confirmed by further careful high-resolution experiments.

Impact Crater Experiments for Introductory Physics and Astronomy Laboratories

ERIC Educational Resources Information Center

Claycomb, J. R.

2009-01-01

Activity-based collisional analysis is developed for introductory physics and astronomy laboratory experiments. Crushable floral foam is used to investigate the physics of projectiles undergoing completely inelastic collisions with a low-density solid forming impact craters. Simple drop experiments enable determination of the average acceleration,…

New environmentally friendly MSPD solid support based on golden mussel shell: characterization and application for extraction of organic contaminants from mussel tissue.

PubMed

Rombaldi, Caroline; de Oliveira Arias, Jean Lucas; Hertzog, Gabriel Ianzer; Caldas, Sergiane Souza; Vieira, João P; Primel, Ednei Gilberto

2015-06-01

The use of golden mussel shells as a solid support in vortex-assisted matrix solid-phase dispersion (MSPD) was evaluated for the first time for extraction of residues of 11 pesticides and nine pharmaceutical and personal care products from mussel tissue samples. After they had been washed, dried, and milled, the mussel shells were characterized by scanning electron microscopy, energy-dispersive X-ray spectroscopy, infrared spectroscopy, and Brunauer-Emmett-Teller analysis. The MSPD procedure with analysis by liquid chromatography-tandem mass spectrometry allowed the determination of target analytes at trace concentrations (nanograms per gram), with mean recoveries ranging from 61 to 107 % and relative standard deviations lower than 18 %. The optimized method consisted of dispersion of 0.5 g of mussel tissue, 0.5 g of NaSO4, and 0.5 g of golden mussel shell for 5 min, and subsequent extraction with 5 mL of ethyl acetate. The matrix effect was evaluated, and a low effect was found for all compounds. The results showed that mussel shell is an effective material and a less expensive material than materials that have traditionally been used, i.e., it may be used in the MSPD dispersion step during the extraction of pesticides and pharmaceutical and personal care products from golden mussel tissues. Graphical Abstract Vortex-assited matrix solid-phase dispersion for extraction of 11 pesticides and 9 PPCPs care products from mussel tissue samples.

Foam shell cryogenic ICF target

DOEpatents

Darling, Dale H.

1987-01-01

A uniform cryogenic layer of DT fuel is maintained in a fusion target having a low density, small pore size, low Z rigid foam shell saturated with liquid DT fuel. Capillary action prevents gravitational slumping of the fuel layer. The saturated shell may be cooled to produce a solid fuel layer.

Structural behavior of the space shuttle SRM Tang-Clevis joint

NASA Technical Reports Server (NTRS)

Greene, W. H.; Knight, N. F., Jr.; Stockwell, A. E.

1986-01-01

The space shuttle Challenger accident investigation focused on the failure of a tang-clevis joint on the right solid rocket motor. The existence of relative motion between the inner arm of the clevis and the O-ring sealing surface on the tang has been identified as a potential contributor to this failure. This motion can cause the O-rings to become unseated and therefore lose their sealing capability. Finite element structural analyses have been performed to predict both deflections and stresses in the joint under the primary, pressure loading condition. These analyses have demonstrated the difficulty of accurately predicting the structural behavior of the tang-clevis joint. Stresses in the vicinity of the connecting pins, obtained from elastic analyses, considerably exceed the material yield allowables indicating that inelastic analyses are probably necessary. Two modifications have been proposed to control the relative motion between the inner clevis arm and the tang at the O-ring sealing surface. One modification, referred to as the capture feature, uses additional material on the inside of the tang to restrict motion of the inner clevis arm. The other modification uses external stiffening rings above and below the joint to control the local bending in the shell near the joint. Both of these modifications are shown to be effective in controlling the relative motion in the joint.

Structural behavior of the space shuttle SRM tang-clevis joint

NASA Technical Reports Server (NTRS)

Greene, William H.; Knight, Norman F., Jr.; Stockwell, Alan E.

1988-01-01

The space shuttle Challenger accident investigation focused on the failure of a tang-clevis joint on the right solid rocket motor. The existence of relative motion between the inner arm of the clevis and the O-ring sealing surface on the tang has been identified as a potential contributor to this failure. This motion can cause the O-rings to become unseated and therefore lose their sealing capability. Finite element structural analyses have been performed to predict both deflections and stresses in the joint under the primary, pressure loading condition. These analyses have demonstrated the difficulty of accurately predicting the structural behavior of the tang-clevis joint. Stresses in the vicinity of the connecting pins, obtained from elastic analyses, considerably exceed the material yield allowables indicating that inelastic analyses are probably necessary. Two modifications have been proposed to control the relative motion between the inner clevis arm and the tang at the O-ring sealing surface. One modification, referred to as the capture feature, uses additional material on the inside of the tang to restrict motion of the inner clevis arm. The other modification uses external stiffening rings above and below the joint to control the local bending in the shell near the joint. Both of these modifications are shown to be effective in controlling the relative motion in the joint.

Lithium sulfide compositions for battery electrolyte and battery electrode coatings

DOEpatents

Liang, Chengdu; Liu, Zengcai; Fu, Wunjun; Lin, Zhan; Dudney, Nancy J; Howe, Jane Y; Rondinone, Adam J

2013-12-03

Methods of forming lithium-containing electrolytes are provided using wet chemical synthesis. In some examples, the lithium containing electroytes are composed of .beta.-Li.sub.3PS.sub.4 or Li.sub.4P.sub.2S.sub.7. The solid electrolyte may be a core shell material. In one embodiment, the core shell material includes a core of lithium sulfide (Li.sub.2S), a first shell of .beta.-Li.sub.3PS.sub.4 or Li.sub.4P.sub.2S.sub.7, and a second shell including one or .beta.-Li.sub.3PS.sub.4 or Li.sub.4P.sub.2S.sub.7 and carbon. The lithium containing electrolytes may be incorporated into wet cell batteries or solid state batteries.

Lithium sulfide compositions for battery electrolyte and battery electrode coatings

DOEpatents

Liang, Chengdu; Liu, Zengcai; Fu, Wujun; Lin, Zhan; Dudney, Nancy J; Howe, Jane Y; Rondinone, Adam J

2014-10-28

Method of forming lithium-containing electrolytes are provided using wet chemical synthesis. In some examples, the lithium containing electrolytes are composed of .beta.-Li.sub.3PS.sub.4 or Li.sub.4P.sub.2S.sub.7. The solid electrolyte may be a core shell material. In one embodiment, the core shell material includes a core of lithium sulfide (Li.sub.2S), a first shell of .beta.-Li.sub.3PS.sub.4 or Li.sub.4P.sub.2S.sub.7, and a second shell including one of .beta.-Li.sub.3PS.sub.4 or Li.sub.4P.sub.2S.sub.7 and carbon. The lithium containing electrolytes may be incorporated into wet cell batteries or solid state batteries.

Finite Strain Analysis of Shock Compression of Brittle Solids Applied to Titanium Diboride

DTIC Science & Technology

2014-07-01

dislocation motion [18,19] may take place at high pressures. Multiple investigations have discovered that tita - nium diboride demonstrates a rather unique...mean stress under shock compression. It has been suggested [5] that pore collapse may be an important source of inelasticity in tita - nium diboride

Research in nonlinear structural and solid mechanics

NASA Technical Reports Server (NTRS)

Mccomb, H. G., Jr. (Compiler); Noor, A. K. (Compiler)

1980-01-01

Nonlinear analysis of building structures and numerical solution of nonlinear algebraic equations and Newton's method are discussed. Other topics include: nonlinear interaction problems; solution procedures for nonlinear problems; crash dynamics and advanced nonlinear applications; material characterization, contact problems, and inelastic response; and formulation aspects and special software for nonlinear analysis.

Finite Element Modeling of the Buckling Response of Sandwich Panels

NASA Technical Reports Server (NTRS)

Rose, Cheryl A.; Moore, David F.; Knight, Norman F., Jr.; Rankin, Charles C.

2002-01-01

A comparative study of different modeling approaches for predicting sandwich panel buckling response is described. The study considers sandwich panels with anisotropic face sheets and a very thick core. Results from conventional analytical solutions for sandwich panel overall buckling and face-sheet-wrinkling type modes are compared with solutions obtained using different finite element modeling approaches. Finite element solutions are obtained using layered shell element models, with and without transverse shear flexibility, layered shell/solid element models, with shell elements for the face sheets and solid elements for the core, and sandwich models using a recently developed specialty sandwich element. Convergence characteristics of the shell/solid and sandwich element modeling approaches with respect to in-plane and through-the-thickness discretization, are demonstrated. Results of the study indicate that the specialty sandwich element provides an accurate and effective modeling approach for predicting both overall and localized sandwich panel buckling response. Furthermore, results indicate that anisotropy of the face sheets, along with the ratio of principle elastic moduli, affect the buckling response and these effects may not be represented accurately by analytical solutions. Modeling recommendations are also provided.

OSCILLATOR STRENGTHS OF VIBRIONIC EXCITATIONS OF NITROGEN DETERMINED BY THE DIPOLE (γ, γ) METHOD

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

Liu, Ya-Wei; Kang, Xu; Xu, Long-Quan

2016-03-10

The oscillator strengths of the valence-shell excitations of molecular nitrogen have significant applicational values in studies of the Earth's atmosphere and interstellar gases. In this work, the absolute oscillator strengths of the valence-shell excitations of molecular nitrogen in 12.3–13.4 eV were measured by the novel dipole (γ, γ) method, in which the high-resolution inelastic X-ray scattering is operated at a negligibly small momentum transfer and can simulate the photoabsorption process. Because the experimental technique used in the present work is distinctly different from those used previously, the present experimental results give an independent cross-check to previous experimental and theoretical data.more » The excellent coincidence of the present results with the dipole (e, e) and those that were extrapolated indicates that the present oscillator strengths can serve as benchmark data.« less

Origin of fine structure of the giant dipole resonance in s d -shell nuclei

NASA Astrophysics Data System (ADS)

Fearick, R. W.; Erler, B.; Matsubara, H.; von Neumann-Cosel, P.; Richter, A.; Roth, R.; Tamii, A.

2018-04-01

A set of high-resolution zero-degree inelastic proton scattering data on 24Mg, 28Si, 32S, and 40Ca provides new insight into the long-standing puzzle of the origin of fragmentation of the giant dipole resonance (GDR) in s d -shell nuclei. Understanding is achieved by comparison with random phase approximation calculations for deformed nuclei using for the first time a realistic nucleon-nucleon interaction derived from the Argonne V18 potential with the unitary correlation operator method and supplemented by a phenomenological three-nucleon contact interaction. A wavelet analysis allows one to extract significant scales both in the data and calculations characterizing the fine structure of the GDR. The fair agreement for scales in the range of a few hundred keV supports the surmise that the fine structure arises from ground-state deformation driven by α clustering.

Gamma Ray Imaging of Inertial Confinement Fusion Experiments

NASA Astrophysics Data System (ADS)

Wilde, Carl; Volegov, Petr; Geppert-Kleinrath, Verena; Danly, Christopher; Merrill, Frank; Simpson, Raspberry; Fittinghoff, David; Grim, Gary; NIF Nuclear Diagnostic Team Team; Advanced Imaging Team Team

2016-10-01

Experiments consisting of an ablatively driven plastic (CH) shell surrounding a deuterium tritium (DT) fuel region are routinely performed at the National Ignition Facility (NIF). Neutrons produced in the burning fuel in-elastically scatter with carbon atoms in the plastic shell producing 4.4 MeV gamma rays. Providing a spatially resolved distribution of the origin of these gammas can inform models of ablator physics and also provide a bounding volume for the cold fuel (un-burned DT fuel) region. Using the NIF neutron imaging system hardware, initial studies have been performed of the feasibility of imaging these gamma rays. A model of the system has been developed to inform under which experimental conditions this measurement can be made. Presented here is an analysis of the prospects for this diagnostic probe and a proposed set of modifications to the NIF neutron imaging line-of-site to efficiently enable this measurement.

Experimental and theoretical investigation of deformation and fracture of subcutaneous fat under compression

NASA Astrophysics Data System (ADS)

Sapozhnikov, S. B.; Ignatova, A. V.

2013-01-01

The subcutaneous fat is considered as a structural material undergoing large inelastic deformations and failure under uniform compression. In calculation, the fat is replaced with a set of cells operating in parallel and suffering failure independently of one another. An elementary cell is considered as a closed thin-wall cylindrical shell filled with an incompressible liquid. All cells in the model are of the same size, and their material is hyperelastic, whose stiffness grows in tension. By comparing experimental data with the mathematical shell model, three parameters are determined to describe the hyperelastic behavior of the cells in transverse compression. A mathematical model with seven constants is presented for describing the deformation of subcutaneous fat under compression. The results obtained are used in a model of human thorax subjected to a local pulse action corresponding to the loading of human body under the impact of a bullet on an armor vest.

Vanadium fine-structure K-shell electron impact ionization cross sections for fast-electron diagnostic in laser–solid experiments

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

Palmeri, P., E-mail: patrick.palmeri@umons.ac.be; Quinet, P., E-mail: pascal.quinet@umons.ac.be; IPNAS, Université de Liège, B-4000 Liège

2015-09-15

The K-shell electron impact ionization (EII) cross section, along with the K-shell fluorescence yield, is one of the key atomic parameters for fast-electron diagnostic in laser–solid experiments through the K-shell emission cross section. In addition, in a campaign dedicated to the modeling of the K lines of astrophysical interest (Palmeri et al. (2012)), the K-shell fluorescence yields for the K-vacancy fine-structure atomic levels of all the vanadium isonuclear ions have been calculated. In this study, the K-shell EII cross sections connecting the ground and the metastable levels of the parent vanadium ions to the daughter ions K-vacancy levels considered in Palmerimore » et al. (2012) have been determined. The relativistic distorted-wave (DW) approximation implemented in the FAC atomic code has been used for the incident electron kinetic energies up to 20 times the K-shell threshold energies. Moreover, the resulting DW cross sections have been extrapolated at higher energies using the asymptotic behavior of the modified relativistic binary encounter Bethe model (MRBEB) of Guerra et al. (2012) with the density-effect correction proposed by Davies et al. (2013)« less

Dye-sensitized solar cells employing a SnO2-TiO2 core-shell structure made by atomic layer deposition.

PubMed

Karlsson, Martin; Jõgi, Indrek; Eriksson, Susanna K; Rensmo, Håkan; Boman, Mats; Boschloo, Gerrit; Hagfeldt, Anders

2013-01-01

This paper describes the synthesis and characterization of core-shell structures, based on SnO2 and TiO2, for use in dye-sensitized solar cells (DSC). Atomic layer deposition is employed to control and vary the thickness of the TiO2 shell. Increasing the TiO2 shell thickness to 2 nm improved the device performance of liquid electrolyte-based DSC from 0.7% to 3.5%. The increase in efficiency originates from a higher open-circuit potential and a higher short-circuit current, as well as from an improvement in the electron lifetime. SnO2-TiO2 core-shell DSC devices retain their photovoltage in darkness for longer than 500 seconds, demonstrating that the electrons are contained in the core material. Finally core-shell structures were used for solid-state DSC applications using the hole transporting material 2,2',7,7',-tetrakis(N, N-di-p-methoxyphenyl-amine)-9,9',-spirofluorene. Similar improvements in device performance were obtained for solid-state DSC devices.

Copper fine-structure K-shell electron impact ionization cross sections for fast-electron diagnostic in laser-solid experiments

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

Palmeri, P., E-mail: patrick.palmeri@umons.ac.be; Quinet, P., E-mail: pascal.quinet@umons.ac.be; IPNAS, Université de Liège, B-4000 Liège

2015-03-15

The K-shell electron impact ionization (EII) cross section, along with the K-shell fluorescence yield, is one of the key atomic parameters for fast-electron diagnostic in laser-solid experiments through the K-shell emission cross section. In addition, copper is a material that has been often used in those experiments because it has a maximum total K-shell emission yield. Furthermore, in a campaign dedicated to the modeling of the K lines of astrophysical interest (Palmeri et al., 2012), the K-shell fluorescence yields for the K-vacancy fine-structure atomic levels of all the copper isonuclear ions have been calculated. In this study, the K-shell EII crossmore » sections connecting the ground and the metastable levels of the parent copper ions to the daughter ions K-vacancy levels considered in Palmeri et al. (2012) have been determined. The relativistic distorted-wave (DW) approximation implemented in the FAC atomic code has been used for the incident electron kinetic energies up to 10 times the K-shell threshold energies. Moreover, the resulting DW cross sections have been extrapolated at higher energies using the asymptotic form proposed by Davies et al. (2013)« less

Controlling Rayleigh-Taylor Instabilities in Magnetically Driven Solid Metal Shells by Means of a Dynamic Screw Pinch

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

Schmit, P. F.; Velikovich, A. L.; McBride, R. D.

Magnetically driven implosions of solid metal shells are an effective vehicle to compress materials to extreme pressures and densities. Rayleigh-Taylor instabilities (RTI) are ubiquitous, yet typically undesired features in all such experiments where solid materials are rapidly accelerated to high velocities. In cylindrical shells (“liners”), the magnetic field driving the implosion can exacerbate the RTI. Here, we suggest an approach to implode solid metal liners enabling a remarkable reduction in the growth of magnetized RTI (MRTI) by employing a magnetic drive with a tilted, dynamic polarization, forming a dynamic screw pinch. Our calculations, based on a self-consistent analytic framework, demonstratemore » that the cumulative growth of the most deleterious MRTI modes may be reduced by as much as 1 to 2 orders of magnitude. One key application of this technique is to generate increasingly stable, higher-performance implosions of solid metal liners to achieve fusion [M. R. Gomez et al., Phys. Rev. Lett. 113, 155003 (2014)]. Finally, we weigh the potentially dramatic benefits of the solid liner dynamic screw pinch against the experimental tradeoffs required to achieve the desired drive field history and identify promising designs for future experimental and computational studies.« less

Controlling Rayleigh-Taylor Instabilities in Magnetically Driven Solid Metal Shells by Means of a Dynamic Screw Pinch

DOE PAGES

Schmit, P. F.; Velikovich, A. L.; McBride, R. D.; ...

2016-11-11

Magnetically driven implosions of solid metal shells are an effective vehicle to compress materials to extreme pressures and densities. Rayleigh-Taylor instabilities (RTI) are ubiquitous, yet typically undesired features in all such experiments where solid materials are rapidly accelerated to high velocities. In cylindrical shells (“liners”), the magnetic field driving the implosion can exacerbate the RTI. Here, we suggest an approach to implode solid metal liners enabling a remarkable reduction in the growth of magnetized RTI (MRTI) by employing a magnetic drive with a tilted, dynamic polarization, forming a dynamic screw pinch. Our calculations, based on a self-consistent analytic framework, demonstratemore » that the cumulative growth of the most deleterious MRTI modes may be reduced by as much as 1 to 2 orders of magnitude. One key application of this technique is to generate increasingly stable, higher-performance implosions of solid metal liners to achieve fusion [M. R. Gomez et al., Phys. Rev. Lett. 113, 155003 (2014)]. Finally, we weigh the potentially dramatic benefits of the solid liner dynamic screw pinch against the experimental tradeoffs required to achieve the desired drive field history and identify promising designs for future experimental and computational studies.« less

Extend MANPADS M&S Capabilities to Include Energetic Materials, Fragmentation Effects, and Wing Flutter Response

DTIC Science & Technology

2005-12-31

MANPADS missile is modeled using LSDYNA . It has 187600 nodes, 52802 shell elements with 13 shell materials, 112200 solid elements with 1804 solid...model capability that includes impact, detonation, penetration, and wing flutter response. This work extends an existing body on body missile model...the missile as well as the expansion of the surrounding fluids was modeled in the Eulerian domain. The Jones-Wilkins-Lee (JWL) equation of state was

Prospects of high-resolution resonant X-ray inelastic scattering studies on solid materials, liquids and gases at diffraction-limited storage rings.

PubMed

Schmitt, Thorsten; de Groot, Frank M F; Rubensson, Jan Erik

2014-09-01

The spectroscopic technique of resonant inelastic X-ray scattering (RIXS) will particularly profit from immensely improved brilliance of diffraction-limited storage rings (DLSRs). In RIXS one measures the intensities of excitations as a function of energy and momentum transfer. DLSRs will allow for pushing the achievable energy resolution, signal intensity and the sampled spot size to new limits. With RIXS one nowadays probes a broad range of electronic systems reaching from simple molecules to complex materials displaying phenomena like peculiar magnetism, two-dimensional electron gases, superconductivity, photovoltaic energy conversion and heterogeneous catalysis. In this article the types of improved RIXS studies that will become possible with X-ray beams from DLSRs are envisioned.

A triangular prism solid and shell interactive mapping element for electromagnetic sheet metal forming process

NASA Astrophysics Data System (ADS)

Cui, Xiangyang; Li, She; Feng, Hui; Li, Guangyao

2017-05-01

In this paper, a novel triangular prism solid and shell interactive mapping element is proposed to solve the coupled magnetic-mechanical formulation in electromagnetic sheet metal forming process. A linear six-node "Triprism" element is firstly proposed for transient eddy current analysis in electromagnetic field. In present "Triprism" element, shape functions are given explicitly, and a cell-wise gradient smoothing operation is used to obtain the gradient matrices without evaluating derivatives of shape functions. In mechanical field analysis, a shear locking free triangular shell element is employed in internal force computation, and a data mapping method is developed to transfer the Lorentz force on solid into the external forces suffered by shell structure for dynamic elasto-plasticity deformation analysis. Based on the deformed triangular shell structure, a "Triprism" element generation rule is established for updated electromagnetic analysis, which means inter-transformation of meshes between the coupled fields can be performed automatically. In addition, the dynamic moving mesh is adopted for air mesh updating based on the deformation of sheet metal. A benchmark problem is carried out for confirming the accuracy of the proposed "Triprism" element in predicting flux density in electromagnetic field. Solutions of several EMF problems obtained by present work are compared with experiment results and those of traditional method, which are showing excellent performances of present interactive mapping element.

Swift heavy ion track formation in Gd2Zr2-xTixO7 pyrochlore: Effect of electronic energy loss

NASA Astrophysics Data System (ADS)

Lang, Maik; Toulemonde, Marcel; Zhang, Jiaming; Zhang, Fuxiang; Tracy, Cameron L.; Lian, Jie; Wang, Zhongwu; Weber, William J.; Severin, Daniel; Bender, Markus; Trautmann, Christina; Ewing, Rodney C.

2014-10-01

The morphology of swift heavy ion tracks in the Gd2Zr2-xTixO7 pyrochlore system has been investigated as a function of the variation in chemical composition and electronic energy loss, dE/dx, over a range of energetic ions: 58Ni, 101Ru, 129Xe, 181Ta, 197Au, 208Pb, and 238U of 11.1 MeV/u specific energy. Bright-field transmission electron microscopy, synchrotron X-ray diffraction, and Raman spectroscopy reveal an increasing degree of amorphization with increasing Ti-content and dE/dx. The size and morphology of individual ion tracks in Gd2Ti2O7 were characterized by high-resolution transmission electron microscopy revealing a core-shell structure with an outer defect-fluorite dominated shell at low dE/dx to predominantly amorphous tracks at high dE/dx. Inelastic thermal-spike calculations have been used together with atomic-scale characterization of ion tracks in Gd2Ti2O7 by high resolution transmission electron microscopy to deduce critical energy densities for the complex core-shell morphologies induced by ions of different dE/dx.

Generation of a mesoporous silica MSU shell onto solid core silica nanoparticles using a simple two-step sol-gel process.

PubMed

Allouche, Joachim; Dupin, Jean-Charles; Gonbeau, Danielle

2011-07-14

Silica core-shell nanoparticles with a MSU shell have been synthesized using several non-ionic poly(ethylene oxide) based surfactants via a two step sol-gel method. The materials exhibit a typical worm-hole pore structure and tunable pore diameters between 2.4 nm and 5.8 nm.

Resonant inelastic x-ray scattering on iso-C₂H₂Cl₂ around the chlorine K-edge: structural and dynamical aspects.

PubMed

Kawerk, Elie; Carniato, Stéphane; Journel, Loïc; Marchenko, Tatiana; Piancastelli, Maria Novella; Žitnik, Matjaž; Bučar, Klemen; Bohnic, Rok; Kavčič, Matjaž; Céolin, Denis; Khoury, Antonio; Simon, Marc

2014-10-14

We report a theoretical and experimental study of the high resolution resonant K(α) X-ray emission lines around the chlorine K-edge in gas phase 1,1-dichloroethylene. With the help of ab initio electronic structure calculations and cross section evaluation, we interpret the lowest lying peak in the X-ray absorption and emission spectra. The behavior of the K(α) emission lines with respect to frequency detuning highlights the existence of femtosecond nuclear dynamics on the dissociative Potential Energy Surface of the first K-shell core-excited state.

Resonant inelastic x-ray scattering on iso-C2H2Cl2 around the chlorine K-edge: Structural and dynamical aspects

NASA Astrophysics Data System (ADS)

Kawerk, Elie; Carniato, Stéphane; Journel, Loïc; Marchenko, Tatiana; Piancastelli, Maria Novella; Žitnik, Matjaž; Bučar, Klemen; Bohnic, Rok; Kavčič, Matjaž; Céolin, Denis; Khoury, Antonio; Simon, Marc

2014-10-01

We report a theoretical and experimental study of the high resolution resonant Kα X-ray emission lines around the chlorine K-edge in gas phase 1,1-dichloroethylene. With the help of ab initio electronic structure calculations and cross section evaluation, we interpret the lowest lying peak in the X-ray absorption and emission spectra. The behavior of the Kα emission lines with respect to frequency detuning highlights the existence of femtosecond nuclear dynamics on the dissociative Potential Energy Surface of the first K-shell core-excited state.

Spin alignment following inelastic scattering of 17Ne, lifetime of 16F, and its constraint on the continuum coupling strength

NASA Astrophysics Data System (ADS)

Charity, R. J.; Brown, K. W.; Okołowicz, J.; Płoszajczak, M.; Elson, J. M.; Reviol, W.; Sobotka, L. G.; Buhro, W. W.; Chajecki, Z.; Lynch, W. G.; Manfredi, J.; Shane, R.; Showalter, R. H.; Tsang, M. B.; Weisshaar, D.; Winkelbauer, J. R.; Bedoor, S.; Wuosmaa, A. H.

2018-05-01

The sequential two-proton decay of the second excited state in 17Ne, produced by inelastic excitation at intermediate energy, is studied. This state is found to be highly spin aligned, providing another example of a recently discovered alignment mechanism. The fortuitous condition that the second decay step is slightly more energetic than the first, permits the lifetime of the one-proton daughter, the ground state of 16F, to be determined from the magnitude of the final-state interactions between the protons. This new method gave a result [Γ =20.6 (57 ) keV] consistent with that obtained by directly measuring the width of the state [Γ =21.3 (51 ) keV]. This width allows one to determine the continuum coupling constant in this mass region. Real-energy continuum-shell-model studies yield a satisfactory description of both spectra and widths of low-energy resonances in 16F and suggest an unusual large ratio of proton-proton to proton-neutron continuum couplings in the vicinity of the proton drip line.

X-ray two-photon absorption with high fluence XFEL pulses

DOE PAGES

Hoszowska, Joanna; Szlachetko, J.; Dousse, J. -Cl.; ...

2015-09-07

Here, we report on nonlinear interaction of solid Fe with intense femtosecond hard x-ray free-electron laser (XFEL) pulses. The experiment was performed at the CXI end-station of the Linac Coherent Light Source (LCLS) by means of high- resolution x-ray emission spectroscopy. The focused x-ray beam provided extreme fluence of ~10 5 photons/Å 2. Two-photon absorption leading to K-shell hollow atom formation and to single K-shell ionization of solid Fe was investigated.

X-ray induced dimerization of cinnamic acid: Time-resolved inelastic X-ray scattering study

NASA Astrophysics Data System (ADS)

Inkinen, Juho; Niskanen, Johannes; Talka, Tuomas; Sahle, Christoph J.; Müller, Harald; Khriachtchev, Leonid; Hashemi, Javad; Akbari, Ali; Hakala, Mikko; Huotari, Simo

2015-11-01

A classic example of solid-state topochemical reactions is the ultraviolet-light induced photodimerization of α-trans-cinnamic acid (CA). Here, we report the first observation of an X-ray-induced dimerization of CA and monitor it in situ using nonresonant inelastic X-ray scattering spectroscopy (NRIXS). The time-evolution of the carbon core-electron excitation spectra shows the effects of two X-ray induced reactions: dimerization on a short time-scale and disintegration on a long time-scale. We used spectrum simulations of CA and its dimerization product, α-truxillic acid (TA), to gain insight into the dimerization effects. From the time-resolved spectra, we extracted component spectra and time-dependent weights corresponding to CA and TA. The results suggest that the X-ray induced dimerization proceeds homogeneously in contrast to the dimerization induced by ultraviolet light. We also utilized the ability of NRIXS for direct tomography with chemical-bond contrast to image the spatial progress of the reactions in the sample crystal. Our work paves the way for other time-resolved studies on chemical reactions using inelastic X-ray scattering.

X-ray induced dimerization of cinnamic acid: Time-resolved inelastic X-ray scattering study

PubMed Central

Inkinen, Juho; Niskanen, Johannes; Talka, Tuomas; Sahle, Christoph J.; Müller, Harald; Khriachtchev, Leonid; Hashemi, Javad; Akbari, Ali; Hakala, Mikko; Huotari, Simo

2015-01-01

A classic example of solid-state topochemical reactions is the ultraviolet-light induced photodimerization of α-trans-cinnamic acid (CA). Here, we report the first observation of an X-ray-induced dimerization of CA and monitor it in situ using nonresonant inelastic X-ray scattering spectroscopy (NRIXS). The time-evolution of the carbon core-electron excitation spectra shows the effects of two X-ray induced reactions: dimerization on a short time-scale and disintegration on a long time-scale. We used spectrum simulations of CA and its dimerization product, α-truxillic acid (TA), to gain insight into the dimerization effects. From the time-resolved spectra, we extracted component spectra and time-dependent weights corresponding to CA and TA. The results suggest that the X-ray induced dimerization proceeds homogeneously in contrast to the dimerization induced by ultraviolet light. We also utilized the ability of NRIXS for direct tomography with chemical-bond contrast to image the spatial progress of the reactions in the sample crystal. Our work paves the way for other time-resolved studies on chemical reactions using inelastic X-ray scattering. PMID:26568420

Plastic buckling. [post-bifurcation and imperfection sensitivity

NASA Technical Reports Server (NTRS)

Hutchinson, J. W.

1974-01-01

The present article is concerned mainly with the post-bifurcation and imperfection-sensitivity aspects of plastic buckling. A simple two-degree-of-freedom model is used to introduce post-bifurcation behavior and a second model illustrates features of the behavior of continuous solids and structures. Hill's bifurcation criterion for a class of three-dimensional solids is applied to the Donnell-Mushtari-Vlasov (DMV) theory of plates and shells. A general treatment of the initial post-bifurcation behavior of plates and shells is given within the context of the DMV theory. This is illustrated by problems involving columns and circular plates under radial compression. Numerical results are given for a column under axial compression, a circular plate under radial compression, and spherical and cylindrical shells.

Growth of fullerene-like carbon nitride thin solid films consisting of cross-linked nano-onions

NASA Astrophysics Data System (ADS)

Czigány, Zs.; Brunell, I. F.; Neidhardt, J.; Hultman, L.; Suenaga, K.

2001-10-01

Fullerene-like CNx (x≈0.12) thin solid films were deposited by reactive magnetron sputtering of graphite in a nitrogen and argon discharge on cleaved NaCl and Si(001) substrates at 450 °C. As-deposited films consist of 5 nm diam CNx nano-onions with shell sizes corresponding to Goldberg polyhedra determined by high-resolution transmission electron microscopy. Electron energy loss spectroscopy revealed that N incorporation is higher in the core of the onions than at the perimeter. N incorporation promotes pentagon formation and provides reactive sites for interlinks between shells of the onions. A model is proposed for the formation of CNx nano-onions by continuous surface nucleation and growth of hemispherical shells.

Air-stable nZVI formation mediated by glutamic acid: solid-state storable material exhibiting 2D chain morphology and high reactivity in aqueous environment

NASA Astrophysics Data System (ADS)

Siskova, Karolina; Tucek, Jiri; Machala, Libor; Otyepkova, Eva; Filip, Jan; Safarova, Klara; Pechousek, Jiri; Zboril, Radek

2012-03-01

We report a new chemical approach toward air-stable nanoscale zero-valent iron (nZVI). The uniformly sized (approx. 80 nm) particles, formed by the reduction of Fe(II) salt by borohydride in the presence of glutamic acid, are coated by a thin inner shell of amorphous ferric oxide/hydroxide and a secondary shell consisting of glutamic acid. The as-prepared nanoparticles stabilized by the inorganic-organic double shell create 2D chain morphologies. They are storable for several months under ambient atmosphere without the loss of Fe(0) relative content. They show one order of magnitude higher rate constant for trichlorethene decomposition compared with the pristine particles possessing only the inorganic shell as a protective layer. This is the first example of the inorganic-organic (consisting of low-molecular weight species) double-shell stabilized nanoscale zero-valent iron material being safely transportable in solid-state, storable on long-term basis under ambient conditions, environmentally acceptable for in situ applications, and extraordinarily reactive if contacted with reducible pollutants, all in one.

Energy transfer in aggregated CuInS2/ZnS core-shell quantum dots deposited as solid films

NASA Astrophysics Data System (ADS)

Gardelis, S.; Fakis, M.; Droseros, N.; Georgiadou, D.; Travlos, A.; Nassiopoulou, A. G.

2017-01-01

We report on the morphology and optical properties of CuInS2/ZnS core-shell quantum dots in solid films by means of AFM, SEM, HRTEM, steady state and time-resolved photoluminescence (PL) spectroscopy. The amount of aggregation of the CuInS2/ZnS QDs was controlled by changing the preparation conditions of the films. A red-shift of the PL spectrum of CuInS2/ZnS core-shell quantum dots, deposited as solid films on silicon substrates, is observed upon increasing the amount of aggregation. The presence of larger aggregates was found to lead to a larger PL red-shift. Besides, as the degree of aggregation increased, the PL decay became slower. We attribute the observed PL red-shift to energy transfer from the smaller to the larger dots within the aggregates, with the emission being realized via a long decay recombination mechanism (100-200 ns), the origin of which is discussed.

HYSPEC : A CRYSTAL TIME OF FLIGHT HYBRID SPECTROMETER FOR THE SPALLATION NEUTRON SOURCE.

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

SHAPIRO,S.M.; ZALIZNYAK,I.A.

2002-12-30

This document lays out a proposal by the Instrument Development Team (IDT) composed of scientists from leading Universities and National Laboratories to design and build a conceptually new high-flux inelastic neutron spectrometer at the pulsed Spallation Neutron Source (SNS) at Oak Ridge. This instrument is intended to supply users of the SNS and scientific community, of which the IDT is an integral part, with a platform for ground-breaking investigations of the low-energy atomic-scale dynamical properties of crystalline solids. It is also planned that the proposed instrument will be equipped with a polarization analysis capability, therefore becoming the first polarized beammore » inelastic spectrometer in the SNS instrument suite, and the first successful polarized beam inelastic instrument at a pulsed spallation source worldwide. The proposed instrument is designed primarily for inelastic and elastic neutron spectroscopy of single crystals. In fact, the most informative neutron scattering studies of the dynamical properties of solids nearly always require single crystal samples, and they are almost invariably flux-limited. In addition, in measurements with polarization analysis the available flux is reduced through selection of the particular neutron polarization, which puts even more stringent limits on the feasibility of a particular experiment. To date, these investigations have mostly been carried out on crystal spectrometers at high-flux reactors, which usually employ focusing Bragg optics to concentrate the neutron beam on a typically small sample. Construction at Oak Ridge of the high-luminosity spallation neutron source, which will provide intense pulsed neutron beams with time-averaged fluxes equal to those at medium-flux reactors, opens entirely new opportunities for single crystal neutron spectroscopy. Drawing upon experience acquired during decades of studies with both crystal and time-of-flight (TOF) spectrometers, the IDT has developed a conceptual design for a focused-beam, hybrid time-of-flight instrument with a crystal monochromator for the SNS called HYSPEC (an acronym for hybrid spectrometer). The proposed instrument has a potential to collect data more than an order of magnitude faster than existing steady-source spectrometers over a wide range of energy transfer ({h_bar}{omega}) and momentum transfer (Q) space, and will transform the way that data in elastic and inelastic single-crystal spectroscopy are collected. HYSPEC is optimized to provide the highest neutron flux on sample in the thermal and epithermal neutron energy ranges at a good-to-moderate energy resolution. By providing a flux on sample several times higher than other inelastic instruments currently planned for the SNS, the proposed instrument will indeed allow unique ground-breaking measurements, and will ultimately make polarized beam studies at a pulsed spallation source a realistic possibility.« less

Electron-deuteron deep-inelastic scattering with spectator nucleon tagging and final-state interactions at intermediate x

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

Strikman, Mark; Weiss, Christian

We consider electron-deuteron deep-inelastic scattering (DIS) with detection of a proton in the nuclear fragmentation region ("spectator tagging") as a method for extracting the free neutron structure functions and studying their nuclear modifications. Such measurements could be performed at a future Electron-Ion Collider (EIC) with suitable forward detectors. The measured proton recoil momentum (≲ 100 MeV in the deuteron rest frame) specifies the deuteron configuration during the high-energy process and permits a controlled theoretical treatment of nuclear effects. Nuclear and nucleonic structure are separated using methods of light-front quantum mechanics. The impulse approximation (IA) to the tagged DIS cross sectionmore » contains the free neutron pole, which can be reached by on-shell extrapolation in the recoil momentum. Final-state interactions (FSI) distort the recoil momentum distribution away from the pole. In the intermediate-x region 0.1 < x < 0.5 FSI arise predominantly from interactions of the spectator proton with slow hadrons produced in the DIS process on the neutron (rest frame momenta ≲1 GeV, target fragmentation region). We construct a schematic model describing this effect, using final-state hadron distributions measured in nucleon DIS experiments and low-energy hadron scattering amplitudes. We investigate the magnitude of FSI, their dependence on the recoil momentum (angular dependence, forward/backward regions), their analytic properties, and their effect on the on-shell extrapolation. We comment on the prospects for neutron structure extraction in tagged DIS with EIC. Finally, we discuss possible extensions of the FSI model to other kinematic regions (large/small x). In tagged DIS at x << 0.1 FSI resulting from diffractive scattering on the nucleons become important and require separate treatment.« less

Electron-deuteron deep-inelastic scattering with spectator nucleon tagging and final-state interactions at intermediate x

NASA Astrophysics Data System (ADS)

Strikman, M.; Weiss, C.

2018-03-01

We consider electron-deuteron deep-inelastic scattering (DIS) with detection of a proton in the nuclear fragmentation region ("spectator tagging") as a method for extracting the free neutron structure functions and studying their nuclear modifications. Such measurements could be performed at a future electron-ion collider (EIC) with suitable forward detectors. The measured proton recoil momentum (≲100 MeV in the deuteron rest frame) specifies the deuteron configuration during the high-energy process and permits a controlled theoretical treatment of nuclear effects. Nuclear and nucleonic structure are separated using methods of light-front quantum mechanics. The impulse approximation to the tagged DIS cross section contains the free neutron pole, which can be reached by on-shell extrapolation in the recoil momentum. Final-state interactions (FSIs) distort the recoil momentum distribution away from the pole. In the intermediate-x region 0.1

Electron-deuteron deep-inelastic scattering with spectator nucleon tagging and final-state interactions at intermediate x

DOE PAGES

Strikman, Mark; Weiss, Christian

2018-03-27

We consider electron-deuteron deep-inelastic scattering (DIS) with detection of a proton in the nuclear fragmentation region ("spectator tagging") as a method for extracting the free neutron structure functions and studying their nuclear modifications. Such measurements could be performed at a future Electron-Ion Collider (EIC) with suitable forward detectors. The measured proton recoil momentum (≲ 100 MeV in the deuteron rest frame) specifies the deuteron configuration during the high-energy process and permits a controlled theoretical treatment of nuclear effects. Nuclear and nucleonic structure are separated using methods of light-front quantum mechanics. The impulse approximation (IA) to the tagged DIS cross sectionmore » contains the free neutron pole, which can be reached by on-shell extrapolation in the recoil momentum. Final-state interactions (FSI) distort the recoil momentum distribution away from the pole. In the intermediate-x region 0.1 < x < 0.5 FSI arise predominantly from interactions of the spectator proton with slow hadrons produced in the DIS process on the neutron (rest frame momenta ≲1 GeV, target fragmentation region). We construct a schematic model describing this effect, using final-state hadron distributions measured in nucleon DIS experiments and low-energy hadron scattering amplitudes. We investigate the magnitude of FSI, their dependence on the recoil momentum (angular dependence, forward/backward regions), their analytic properties, and their effect on the on-shell extrapolation. We comment on the prospects for neutron structure extraction in tagged DIS with EIC. Finally, we discuss possible extensions of the FSI model to other kinematic regions (large/small x). In tagged DIS at x << 0.1 FSI resulting from diffractive scattering on the nucleons become important and require separate treatment.« less

Prospects of high-resolution resonant X-ray inelastic scattering studies on solid materials, liquids and gases at diffraction-limited storage rings

PubMed Central

Schmitt, Thorsten; de Groot, Frank M. F.; Rubensson, Jan-Erik

2014-01-01

The spectroscopic technique of resonant inelastic X-ray scattering (RIXS) will particularly profit from immensely improved brilliance of diffraction-limited storage rings (DLSRs). In RIXS one measures the intensities of excitations as a function of energy and momentum transfer. DLSRs will allow for pushing the achievable energy resolution, signal intensity and the sampled spot size to new limits. With RIXS one nowadays probes a broad range of electronic systems reaching from simple molecules to complex materials displaying phenomena like peculiar magnetism, two-dimensional electron gases, superconductivity, photovoltaic energy conversion and heterogeneous catalysis. In this article the types of improved RIXS studies that will become possible with X-ray beams from DLSRs are envisioned. PMID:25177995

Sensitivity of inelastic response to numerical integration of strain energy. [for cantilever beam

NASA Technical Reports Server (NTRS)

Kamat, M. P.

1976-01-01

The exact solution to the quasi-static, inelastic response of a cantilever beam of rectangular cross section subjected to a bending moment at the tip is obtained. The material of the beam is assumed to be linearly elastic-linearly strain-hardening. This solution is then compared with three different numerical solutions of the same problem obtained by minimizing the total potential energy using Gaussian quadratures of two different orders and a Newton-Cotes scheme for integrating the strain energy of deformation. Significant differences between the exact dissipative strain energy and its numerical counterpart are emphasized. The consequence of this on the nonlinear transient responses of a beam with solid cross section and that of a thin-walled beam on elastic supports under impulsive loads are examined.

Peripherally cross-linking the shell of core-shell polymer micelles decreases premature release of physically loaded combretastatin A4 in whole blood and increases its mean residence time and subsequent potency against primary murine breast tumors after IV administration.

PubMed

Wakaskar, Rajesh R; Bathena, Sai Praneeth R; Tallapaka, Shailendra B; Ambardekar, Vishakha V; Gautam, Nagsen; Thakare, Rhishikesh; Simet, Samantha M; Curran, Stephen M; Singh, Rakesh K; Dong, Yuxiang; Vetro, Joseph A

2015-03-01

Determine the feasibility and potential benefit of peripherally cross-linking the shell of core-shell polymer micelles on the premature release of physically loaded hydrophobic drug in whole blood and subsequent potency against solid tumors. Individual Pluronic F127 polymer micelles (F127 PM) peripherally cross-linked with ethylenediamine at 76% of total PEO blocks (X-F127 PM) were physically loaded with combretastatin A4 (CA4) by the solid dispersion method and compared to CA4 physically loaded in uncross-linked F127 PM, CA4 in DMSO in vitro, or water-soluble CA4 phosphate (CA4P) in vivo. X-F127 PM had similar CA4 loading and aqueous solubility as F127 PM up to 10 mg CA4 / mL at 22.9 wt% and did not aggregate in PBS or 90% (v/v) human serum at 37°C for at least 24 h. In contrast, X-F127 PM decreased the unbound fraction of CA4 in whole blood (fu) and increased the mean plasma residence time and subsequent potency of CA4 against the vascular function and growth of primary murine 4T1 breast tumors over CA4 in F127 PM and water-soluble CA4P after IV administration. Given that decreasing the fu is an indication of decreased drug release, peripherally cross-linking the shell of core-shell polymer micelles may be a simple approach to decrease premature release of physically loaded hydrophobic drug in the blood and increase subsequent potency in solid tumors.

Calculation methods study on hot spot stress of new girder structure detail

NASA Astrophysics Data System (ADS)

Liao, Ping; Zhao, Renda; Jia, Yi; Wei, Xing

2017-10-01

To study modeling calculation methods of new girder structure detail's hot spot stress, based on surface extrapolation method among hot spot stress method, a few finite element analysis models of this welded detail were established by finite element software ANSYS. The influence of element type, mesh density, different local modeling methods of the weld toe and extrapolation methods was analyzed on hot spot stress calculation results at the toe of welds. The results show that the difference of the normal stress in the thickness direction and the surface direction among different models is larger when the distance from the weld toe is smaller. When the distance from the toe is greater than 0.5t, the normal stress of solid models, shell models with welds and non-weld shell models tends to be consistent along the surface direction. Therefore, it is recommended that the extrapolated point should be selected outside the 0.5t for new girder welded detail. According to the results of the calculation and analysis, shell models have good grid stability, and extrapolated hot spot stress of solid models is smaller than that of shell models. So it is suggested that formula 2 and solid45 should be carried out during the hot spot stress extrapolation calculation of this welded detail. For each finite element model under different shell modeling methods, the results calculated by formula 2 are smaller than those of the other two methods, and the results of shell models with welds are the largest. Under the same local mesh density, the extrapolated hot spot stress decreases gradually with the increase of the number of layers in the thickness direction of the main plate, and the variation range is within 7.5%.

Nucleon correlations and the structure of Zn 41 30 71

DOE PAGES

Bottoni, Simone; Zhu, S.; Janssens, R. V. F.; ...

2017-11-06

Here, the structure of 71Zn was investigated by one-neutron transfer and heavy-ion induced complex (deep-inelastic) reactions using the GRETINA-CHICO2 and the Gammasphere setups, respectively. The observed inversion between the 9/2 + and 1/2 – states is explained in terms of the role of neutron pairing correlations. Non-collective sequences of levels were delineated above the 9/2 + isomeric state. These are interpreted as being associated with a modest oblate deformation in the framework of Monte-Carlo shell-model calculations carried out with the A3DA-m Hamiltonian in the pfg 9/2d 5/2 valence space. Similarities with the structure of 68 28Ni 40 were observed andmore » the shape-coexistence mechanism in the N = 40 region of neutron-rich nuclei is discussed in terms of the so-called Type-II shell evolution, with an emphasis on proton–neutron correlations between valence nucleons, especially those involving the shape-driving g 9/2 neutron orbital.« less

Nucleon correlations and the structure of 41 30 71Zn

NASA Astrophysics Data System (ADS)

Bottoni, S.; Zhu, S.; Janssens, R. V. F.; Carpenter, M. P.; Tsunoda, Y.; Otsuka, T.; Macchiavelli, A. O.; Cline, D.; Wu, C. Y.; Ayangeakaa, A. D.; Bucher, B.; Buckner, M. Q.; Campbell, C. M.; Chiara, C. J.; Crawford, H. L.; Cromaz, M.; David, H. M.; Fallon, P.; Gade, A.; Greene, J. P.; Harker, J.; Hayes, A. B.; Hoffman, C. R.; Kay, B. P.; Korichi, A.; Lauritsen, T.; Sethi, J.; Seweryniak, D.; Walters, W. B.; Weisshaar, D.; Wiens, A.

2017-12-01

The structure of 71Zn was investigated by one-neutron transfer and heavy-ion induced complex (deep-inelastic) reactions using the GRETINA-CHICO2 and the Gammasphere setups, respectively. The observed inversion between the 9/2+ and 1/2- states is explained in terms of the role of neutron pairing correlations. Non-collective sequences of levels were delineated above the 9/2+ isomeric state. These are interpreted as being associated with a modest oblate deformation in the framework of Monte-Carlo shell-model calculations carried out with the A3DA-m Hamiltonian in the pfg9/2d5/2 valence space. Similarities with the structure of 40,28,68Ni were observed and the shape-coexistence mechanism in the N = 40 region of neutron-rich nuclei is discussed in terms of the so-called Type-II shell evolution, with an emphasis on proton-neutron correlations between valence nucleons, especially those involving the shape-driving g9/2 neutron orbital.

Characterization of Substituted Phenol-Formaldehyde Resins Using Solid-State Carbon-13 NMR

DTIC Science & Technology

1989-05-22

synthesized from cashew nut shell liquid, 3-n-pentadecylphenol and phenol with formaldehyde. The resulting resins were crosslinked and then investigated using...should be sent SYNOPSIS Crosslinked substituted phenol-formaldehyde resins were synthesized from cashew nut shell liquid, 3-n-pentadecylphenol and... nut shell liquid (CNSL) and are the basis for binder resins and friction particles in composite friction materials. CNSL is isolated from cashew nut

Preliminary Study into Shell Mold Casting of Nominal 60-Nitinol Alloy

DTIC Science & Technology

The present study was initiated to determine the feasibility of shell mold casting nominal 60- Nitinol into suitable EOD (Explosive Ordnance Disposal...surface finish and definition and property response of cast alloy. Based upon the results, 60- Nitinol appears quite suited to shell molding and a...concern lies in the casting porosity associated with the relatively large liquid-to-solid shrinkage of nominal 60- Nitinol .

SEACAS Theory Manuals: Part 1. Problem Formulation in Nonlinear Solid Mechancis

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

Attaway, S.W.; Laursen, T.A.; Zadoks, R.I.

1998-08-01

This report gives an introduction to the basic concepts and principles involved in the formulation of nonlinear problems in solid mechanics. By way of motivation, the discussion begins with a survey of some of the important sources of nonlinearity in solid mechanics applications, using wherever possible simple one dimensional idealizations to demonstrate the physical concepts. This discussion is then generalized by presenting generic statements of initial/boundary value problems in solid mechanics, using linear elasticity as a template and encompassing such ideas as strong and weak forms of boundary value problems, boundary and initial conditions, and dynamic and quasistatic idealizations. Themore » notational framework used for the linearized problem is then extended to account for finite deformation of possibly inelastic solids, providing the context for the descriptions of nonlinear continuum mechanics, constitutive modeling, and finite element technology given in three companion reports.« less

Reaction growth of MF2/a-C (M = Ca, Mg) core/shell nanowires at the interface of vapor and solid reactants.

PubMed

Huang, Chih-Hao; Chang, Yu-Hsu; Lee, Chi-Young; Chiu, Hsin-Tien

2006-01-03

C(6)F(6) vapor is employed to react with CaC(2) and Mg(3)N(2) to grow CaF(2)/a-C and Mg(2)F(2)/a-C core/shell nanowires (tens of micrometers in length, tens to hundreds of nanometers in wire diameter, and tens of nanometers in core diameter), respectively, in high yields. The growth mechanism is proposed to proceed via a reaction at the interface of the vapor and solid reactants.

Plasmonic Photovoltaic Cells with Dual-Functional Gold, Silver, and Copper Half-Shell Arrays.

PubMed

Wu, Ling; Kim, Gyu Min; Nishi, Hiroyasu; Tatsuma, Tetsu

2017-09-12

Solid-state photovoltaic cells based on plasmon-induced charge separation (PICS) have attracted growing attention during the past decade. However, the power conversion efficiency (PCE) of the previously reported devices, which are generally loaded with dispersed metal nanoparticles as light absorbers, has not been sufficiently high. Here we report simpler plasmonic photovoltaic cells with interconnected Au, Ag, and Cu half-shell arrays deposited on SiO 2 @TiO 2 colloidal crystals, which serve both as a plasmonic light absorber and as a current collector. The well-controlled and easily prepared plasmonic structure allows precise comparison of the PICS efficiency between different plasmonic metal species. The cell with the Ag half-shell array has higher photovoltaic performance than the cells with Au and Cu half-shell arrays because of the high population of photogenerated energetic electrons, which gives a high electron injection efficiency and suppressed charge recombination probability, achieving the highest PCE among the solid-state PICS devices even without a hole transport layer.

Axisymmetric shell analysis of the Space Shuttle solid rocket booster field joint

NASA Technical Reports Server (NTRS)

Nemeth, Michael P.; Anderson, Melvin S.

1989-01-01

The Space Shuttle Challenger (STS 51-L) accident led to an intense investigation of the structural behavior of the solid rocket booster (SRB) tang and clevis field joints. The presence of structural deformations between the clevis inner leg and the tang, substantial enough to prevent the O-ring seals from eliminating hot gas flow through the joints, has emerged as a likely cause of the vehicle failure. This paper presents results of axisymmetric shell analyses that parametrically assess the structural behavior of SRB field joints subjected to quasi-steady-state internal pressure loading for both the original joint flown on mission STS 51-L and the redesigned joint recently flown on the Space Shuttle Discovery. Discussion of axisymmetric shell modeling issues and details is presented and a generic method for simulating contact between adjacent shells of revolution is described. Results are presented that identify the performance trends of the joints for a wide range of joint parameters.

Tank measurements of scattering from a resin-filled fiberglass spherical shell with internal flaws.

PubMed

Tesei, Alessandra; Guerrini, Piero; Zampolli, Mario

2008-08-01

This paper presents results of acoustic inversion and structural health monitoring achieved by means of low to midfrequency elastic scattering analysis of simple, curved objects, insonified in a water tank. Acoustic elastic scattering measurements were conducted between 15 and 100 kHz on a 60-mm-radius fiberglass spherical shell, filled with a low-shear-speed epoxy resin. Preliminary measurements were conducted also on the void shell before filling, and on a solid sphere of the same material as the filler. These data were used to estimate the constituent material parameters via acoustic inversion. The objects were measured in the backscatter direction, suspended at midwater, and insonified by a broadband directional transducer. From the inspection of the response of the solid-filled shell it was possible to detect and characterize significant inhomogeneities of the interior (air pockets), the presence of which were later confirmed by x-ray CT scan and ultrasound measurements. Elastic wave analysis and a model-data comparison study support the physical interpretation of the measurements.

Endoliths in Lithophaga lithophaga shells--Variation in intensity of infestation and species occurrence.

PubMed

Peharda, Melita; Calcinai, Barbara; Puljas, Sanja; Golubić, Stjepko; Arapov, Jasna; Thébault, Julien

2015-07-01

Pronounced differences with respect to the extent of infestation and the degree of Lithophaga lithophaga shell damage inflicted by euendolithic taxa at two sites in the Adriatic Sea representing different productivity conditions, are described. Shells collected from the eastern part of Kaštela Bay, which is characterized by higher primary productivity, have significantly more shell damage then the shell collected from a site on the outer coast of the island of Čiovo exposed to the oligotrophic Adriatic Sea. The presence of endoliths and their perforations were detected in different layers of the shell, including solidly mineralized parts of the skeleton and within the organic lamellae incorporated into the shell. Phototrophic endoliths were not observed in the specimens. The most serious damage to L. lithophaga shells was the boring clionaid sponge Pione vastifica, which was more common in shells collected from Kaštela. Copyright © 2015 Elsevier Ltd. All rights reserved.

Thermo-inelastic Response of Polymeric Solids

DTIC Science & Technology

2014-08-11

phenomena. Polymethylmethacrylate (PMMA) and Polycarbonate (PC) are used in this study. Results indicate that the stress on the wall was lowest...explicit scheme for the time evaluation and in order to capture the wave propagation phenomena. Polymethylmethacrylate (PMMA) and Polycarbonate (PC) are...polyurea(PU), polycarbonate(PC), polymethylmethacrylate (PMMA) etc. for the ballistic protection. For example, it can be seen from the figures 1 through 3

Sound velocities of skiagite-iron-majorite solid solution to 56 GPa probed by nuclear inelastic scattering

NASA Astrophysics Data System (ADS)

Vasiukov, D. M.; Ismailova, L.; Kupenko, I.; Cerantola, V.; Sinmyo, R.; Glazyrin, K.; McCammon, C.; Chumakov, A. I.; Dubrovinsky, L.; Dubrovinskaia, N.

2018-05-01

High-pressure experimental data on sound velocities of garnets are used for interpretation of seismological data related to the Earth's upper mantle and the mantle transition zone. We have carried out a Nuclear Inelastic Scattering study of iron-silicate garnet with skiagite (77 mol%)-iron-majorite composition in a diamond anvil cell up to 56 GPa at room temperature. The determined sound velocities are considerably lower than sound velocities of a number of silicate garnet end-members, such as grossular, pyrope, Mg-majorite, andradite, and almandine. The obtained sound velocities have the following pressure dependencies: V p [km/s] = 7.43(9) + 0.039(4) × P [GPa] and V s [km/s] = 3.56(12) + 0.012(6) × P [GPa]. We estimated sound velocities of pure skiagite and khoharite, and conclude that the presence of the iron-majorite component in skiagite strongly decreases V s . We analysed the influence of Fe3+ on sound velocities of garnet solid solution relevant to the mantle transition zone and consider that it may reduce sound velocities up to 1% relative to compositions with only Fe2+ in the cubic site.

Toward highly stable solid-state unconventional thin-film battery-supercapacitor hybrid devices: Interfacing vertical core-shell array electrodes with a gel polymer electrolyte

NASA Astrophysics Data System (ADS)

Pandey, Gaind P.; Klankowski, Steven A.; Liu, Tao; Wu, Judy; Li, Jun

2017-02-01

A novel solid-state battery-supercapacitor hybrid device is fabricated for high-performance electrical energy storage using a Si anode and a TiO2 cathode in conjunction with a flexible, solid-like gel polymer electrolyte film as the electrolyte and separator. The electrodes were fabricated as three-dimensional nanostructured vertical arrays by sputtering active materials as conformal shells on vertically aligned carbon nanofibers (VACNFs) which serve as the current collector and structural template. Such nanostructured vertical core-shell array-electrodes enable short Li-ion diffusion path and large pseudocapacitive contribution by fast surface reactions, leading to the hybrid features of batteries and supercapacitors that can provide high specific energy over a wide range of power rates. Due to the improved mechanical stability of the infiltrated composite structure, the hybrid cell shows excellent cycling stability and is able to retain more than 95% of the original capacity after 3500 cycles. More importantly, this solid-state device can stably operate in a temperature range from -20 to 60 °C with a very low self-discharge rate and an excellent shelf life. This solid-state architecture is promising for the development of highly stable thin-film hybrid energy storage devices for unconventional applications requiring largely varied power, wider operation temperature, long shelf-life and higher safety standards.

HOTCFGM-2D: A Coupled Higher-Order Theory for Cylindrical Structural Components with Bi-Directionally Components with Bi-Directionally Graded Microstructures

NASA Technical Reports Server (NTRS)

Pindera, Marek-Jerzy; Aboudi, Jacob

2000-01-01

The objective of this two-year project was to develop and deliver to the NASA-Glenn Research Center a two-dimensional higher-order theory, and related computer codes, for the analysis and design of cylindrical functionally graded materials/structural components for use in advanced aircraft engines (e.g., combustor linings, rotor disks, heat shields, brisk blades). To satisfy this objective, two-dimensional version of the higher-order theory, HOTCFGM-2D, and four computer codes based on this theory, for the analysis and design of structural components functionally graded in the radial and circumferential directions were developed in the cylindrical coordinate system r-Theta-z. This version of the higher-order theory is a significant generalization of the one-dimensional theory, HOTCFGM-1D, developed during the FY97 for the analysis and design of cylindrical structural components with radially graded microstructures. The generalized theory is applicable to thin multi-phased composite shells/cylinders subjected to steady-state thermomechanical, transient thermal and inertial loading applied uniformly along the axial direction such that the overall deformation is characterized by a constant average axial strain. The reinforcement phases are uniformly distributed in the axial direction, and arbitrarily distributed in the radial and circumferential direction, thereby allowing functional grading of the internal reinforcement in the r-Theta plane. The four computer codes fgmc3dq.cylindrical.f, fgmp3dq.cylindrical.f, fgmgvips3dq.cylindrical.f, and fgmc3dq.cylindrical.transient.f are research-oriented codes for investigating the effect of functionally graded architectures, as well as the properties of the multi-phase reinforcement, in thin shells subjected to thermomechanical and inertial loading, on the internal temperature, stress and (inelastic) strain fields. The reinforcement distribution in the radial and circumferential directions is specified by the user. The thermal and inelastic properties of the individual phases can vary with temperature. The inelastic phases are presently modeled by the power-law creep model generalized to multi-directional loading (within fgmc3dq.cylindrical.f and fgmc3dq.cylindrical.transient.f for steady-state and transient thermal loading, respectively), and incremental plasticity and GVIPS unified viscoplasticity theories (within the steady-state loading versions fgmp3dq.cylindrical.f and fgmgvips3dq.cylindrical.f).

Population and decay of a Kπ=8- two-quasineutron isomer in 244Pu

NASA Astrophysics Data System (ADS)

Hota, S. S.; Tandel, S. K.; Chowdhury, P.; Ahmad, I.; Carpenter, M. P.; Chiara, C. J.; Greene, J. P.; Hoffman, C. R.; Jackson, E. G.; Janssens, R. V. F.; Kay, B. P.; Khoo, T. L.; Kondev, F. G.; Lakshmi, S.; Lalkovski, S.; Lauritsen, T.; Lister, C. J.; McCutchan, E. A.; Moran, K.; Peterson, D.; Shirwadkar, U.; Seweryniak, D.; Stefanescu, I.; Toh, Y.; Zhu, S.

2016-08-01

The decay of a Kπ=8- isomer in 244Pu and the collective band structures populating the isomer were studied using deep inelastic excitations with 47Ti and 208Pb beams, respectively. Precise measurements of M 1 /E 2 branching ratios in the band confirm a 9 /2-[734] ν⊗7 /2+[624] ν configuration assignment for the isomer, validating the systematics of Kπ=8- , two-quasineutron isomers observed in even-Z , N =150 isotones. These isomers around the deformed shell gap at N =152 provide critical benchmarks for theoretical predictions of single-particle energies in this gateway region to superheavy nuclei.

Resonant inelastic x-ray scattering on iso-C{sub 2}H{sub 2}Cl{sub 2} around the chlorine K-edge: Structural and dynamical aspects

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

Kawerk, Elie, E-mail: eliekawerk@hotmail.com, E-mail: ekawerk@units.it; Sorbonne Universités, UPMC Université Paris 06, UMR 7614, Laboratoire de Chimie Physique-Matière et Rayonnement, F-75005 Paris; Laboratoire de Physique Appliquée, Faculté des Sciences II, Université Libanaise, 90656 Jdeidet el Metn, Liban

2014-10-14

We report a theoretical and experimental study of the high resolution resonant K{sub α} X-ray emission lines around the chlorine K-edge in gas phase 1,1-dichloroethylene. With the help of ab initio electronic structure calculations and cross section evaluation, we interpret the lowest lying peak in the X-ray absorption and emission spectra. The behavior of the K{sub α} emission lines with respect to frequency detuning highlights the existence of femtosecond nuclear dynamics on the dissociative Potential Energy Surface of the first K-shell core-excited state.

Measurement of the structure function of the nearly free neutron using spectator tagging in inelastic H 2 ( e , e ' p s ) X scattering with CLAS

DOE PAGES

Tkachenko, S.; Baillie, N.; Kuhn, S. E.; ...

2014-04-24

In this study, much less is known about neutron structure than that of the proton due to the absence of free neutron targets. Neutron information is usually extracted from data on nuclear targets such as deuterium, requiring corrections for nuclear binding and nucleon off-shell effects. These corrections are model dependent and have significant uncertainties, especially for large values of the Bjorken scaling variable x. As a consequence, the same data can lead to different conclusions, for example, about the behavior of the d quark distribution in the proton at large x.

Final Scientific Report: DE-SC0002194

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

Seidler, Gerald

We provide the final scientific report for DE-SC0002194. During the term of this grant, 28 publications spanning a variety of topics were addressed under the rubric of advanced x-ray methods and their application to extreme conditions of time-resolution or x-ray intensities. Notable accomplishments include a new observation of XANES features associated with f-shell reconfiguration in lanthanides, size-dependent x-ray heating effects under XFEL illumination conditions, theoretical development of improved treatments of inelastic x-ray scattering for 'warm dense matter' conditions, and several new instrument develop efforts for atomic, molecular, and condensed phase studies in the lab and at major facility lightsources.

Phase field modeling of brittle fracture for enhanced assumed strain shells at large deformations: formulation and finite element implementation

NASA Astrophysics Data System (ADS)

Reinoso, J.; Paggi, M.; Linder, C.

2017-06-01

Fracture of technological thin-walled components can notably limit the performance of their corresponding engineering systems. With the aim of achieving reliable fracture predictions of thin structures, this work presents a new phase field model of brittle fracture for large deformation analysis of shells relying on a mixed enhanced assumed strain (EAS) formulation. The kinematic description of the shell body is constructed according to the solid shell concept. This enables the use of fully three-dimensional constitutive models for the material. The proposed phase field formulation integrates the use of the (EAS) method to alleviate locking pathologies, especially Poisson thickness and volumetric locking. This technique is further combined with the assumed natural strain method to efficiently derive a locking-free solid shell element. On the computational side, a fully coupled monolithic framework is consistently formulated. Specific details regarding the corresponding finite element formulation and the main aspects associated with its implementation in the general purpose packages FEAP and ABAQUS are addressed. Finally, the applicability of the current strategy is demonstrated through several numerical examples involving different loading conditions, and including linear and nonlinear hyperelastic constitutive models.

Electrosprayed core-shell solid dispersions of acyclovir fabricated using an epoxy-coated concentric spray head.

PubMed

Liu, Zhe-Peng; Cui, Lei; Yu, Deng-Guang; Zhao, Zhuan-Xia; Chen, Lan

2014-01-01

A novel structural solid dispersion (SD) taking the form of core-shell microparticles for poorly water-soluble drugs is reported for the first time. Using polyvinylpyrrolidone (PVP) as a hydrophilic polymer matrix, the SDs were fabricated using coaxial electrospraying (characterized by an epoxy-coated concentric spray head), although the core fluids were unprocessable using one-fluid electrospraying. Through manipulating the flow rates of the core drug-loaded solutions, two types of core-shell microparticles with tunable drug contents were prepared. They had average diameters of 1.36±0.67 and 1.74±0.58 μm, and were essentially a combination of nanocomposites with the active ingredient acyclovir (ACY) distributed in the inner core, and the sweeter sucralose and transmembrane enhancer sodium dodecyl sulfate localized in the outer shell. Differential scanning calorimetry and X-ray diffraction results demonstrated that ACY, sodium dodecyl sulfate, and sucralose were well distributed in the PVP matrix in an amorphous state because of favorable second-order interactions. In vitro dissolution and permeation studies showed that the core-shell microparticle SDs rapidly freed ACY within 1 minute and promoted nearly eightfold increases in permeation rate across the sublingual mucosa compared with raw ACY powders.

X-rays from Eta Carinae

NASA Technical Reports Server (NTRS)

Chlebowski, T.; Seward, F. D.; Swank, J.; Szymkowiak, A.

1984-01-01

X-ray observations of Eta Car obtained with the high-resolution imager and solid-state spectrometer of the Einstein observatory are reported and interpreted in terms of a two-shell model. A soft component with temperature 5 million K is located in the expanding outer shell, and the hard core component with temperature 80 million K is attributed to the interaction of a high-velocity stellar wind from the massive central object with the inner edge of a dust shell. Model calculations based on comparison with optical and IR data permit estimation of the mass of the outer shell (0.004 solar mass), the mass of the dust shell (3 solar mass), and the total shell expansion energy (less than 2 x 10 to the 49th ergs).

Inelastic deformation and phenomenological modeling of aluminum including transient effect

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

Cho, C.W.

A review was made of several phenomenological theories which have recently been proposed to describe the inelastic deformation of crystalline solids. Hart's deformation theory has many advantages, but there are disagreements with experimental deformation at stress levels below yield. A new inelastic deformation theory was proposed, introducing the concept of microplasticity. The new model consists of five deformation elements: a friction element representing a deformation element controlled by dislocation glide, a nonrecoverable plastic element representing the dislocation leakage rate over the strong dislocation barriers, a microplastic element representing the dislocation leakage rate over the weak barriers, a short range anelasticmore » spring element representing the recoverable anelastic strain stored by piled-up dislocations against the weak barriers, and a long range anelastic spring element representing the recoverable strain stored by piled-up dislocations against the strong barriers. Load relaxation and tensile testing in the plastic range were used to determine the material parameters for the plastic friction elements. The short range and long range anelastic moduli and the material parameters for the kinetics of microplasticity were determined by the measurement of anelastic loops and by performing load relaxation tests in the microplastic region. Experimental results were compared with a computer simulation of the transient deformation behavior of commercial purity aluminum. An attempt was made to correlate the material parameters and the microstructure from TEM. Stability of material parameters during inelastic deformation was discussed and effect of metallurgical variables was examined experimentally. 71 figures, 5 tables.« less

Elastic and Inelastic Scattering of Neutrons using a CLYC array

NASA Astrophysics Data System (ADS)

Brown, Tristan; Doucet, E.; Chowdhury, P.; Lister, C. J.; Wilson, G. L.; Devlin, M.; Mosby, S.

2015-10-01

CLYC scintillators, which have dual neutron and gamma response, have recently ushered in the possibility of fast neutron spectroscopy without time-of-flight (TOF). A 16-element array of 1'' x 1'' 6Li-depleted CLYC crystals, where pulse-shape-discrimination is achieved via digital pulse processing, has been commissioned at UMass Lowell. In an experiment at LANSCE, high energy neutrons were used to bombard 56Fe and 238U targets, in order to measure elastic and inelastic neutron scattering cross sections as a function of energy and angle with the array. The array is placed very close to the targets for enhanced geometrical solid angles for scattered neutrons compared to standard neutron-TOF measurements. A pulse-height spectrum of scattered neutrons in the detectors is compared to the energy of the incident neutrons, which is measured via the TOF of the pulsed neutrons from the source to the detectors. Recoil corrections are necessary to combine the energy spectra from all the detectors to obtain angle-integrated elastic and inelastic cross-sections. The detection techniques, analysis procedures and results will be presented. Supported by NNSA-SSAA program through DOE Grant DE-NA00013008.

Effect of torrefaction process on the coconut shell energy content for solid fuel

NASA Astrophysics Data System (ADS)

Irawan, Anton; Latifah Upe, S.; Meity Dwi I., P.

2017-03-01

Indonesia was one of largest coconut producers in the world with an average coconut production of 3 million tons per year and an estimated coconut shell waste were produced 360 thousand tons per year. Certainly, Coconut shell produced in large numbers require initial processing to be saved in the long term with stabilized quality. Quality of coconut shell can be maintained by changing the characteristics of the properties of coconut shell from easily absorbed water (hydrophilic) to difficult absorbed water (hydrophobia) as well as reduce the smoke of burning through torrefaction. Torrefaction technology carried out the biomass at a temperature of 200-300°C. The goal of this research was to observe the effect of operating conditions of torrefaction and the size of a coconut shell to the quality of coconut shell as a solid fuel which had high quality and low environmental impact. The variables in this study was the size of coconut shell (1.5 cm, 3 cm, and 4 cm), temperature (250°C, 300°C and 350°C) and torrefaction holding time (15, 30, and 45 minutes). Fresh coconut shell will be analyzed using proximate, ultimate analysis, and calorific value to know the initial condition. Torrefaction product will also be analyzed by proximate analysis and heating value. The highest calorific value was obtained on the size of coconut shell medium (3 cm) with operating conditions at a temperature of 350°C and torrefaction holding time 30 minutes at 7635 kcal /kg with the increasing percentage in calorific value 40.76%, fixed carbon 82.73%, and the volatile matter content 10.88%. But that condition of the torrefaction product has produced the low mass yield around 31%. The optimum conditions were at temperature 250°C, torrefaction holding time 30 minutes, and coconut shell size 1.5 cm.

Triangular prismatic solid-shell element with generalised deformation description

NASA Astrophysics Data System (ADS)

Mataix, Vicente; Flores, Fernando G.; Rossi, Riccardo; Oñate, Eugenio

2018-01-01

The solid-shells are an attractive kind of element for the simulation of f orming processes, due to the fact that any kind of generic 3D constitutive law can be employed without any kind of additional modification, besides the thermomechanic problem is formulated without additional assumptions. Additionally, this type of element allows the three-dimensional description of the deformable body, thus contact on both sides of the element can be treated easily. The present work consists in the development of a triangular prism element as a solid-shell, for the analysis of thin/thick shell, undergoing large deformations. The element is formulated in total Lagrangian formulation, and employs the neighbour (adjacent) elements to perform a local patch to enrich the displacement field. In the original formulation by Flores, a modified right Cauchy-Green deformation tensor (?) is obtained; in the present work a modified deformation gradient (?) is obtained, which allows to generalise the methodology and allows to employ a wide range of constitutive laws. The element is based in three modifications: (a) a classical assumed strain approach for transverse shear strains (b) an assumed strain approach for the in-plane components using information from neighbour elements and (c) an averaging of the volumetric strain over the element. The objective is to use this type of elements for the simulation of shells avoiding transverse shear locking, improving the membrane behaviour of the in-plane triangle and to handle quasi-incompressible materials or materials with isochoric plastic flow. Some examples have been evaluated to show the good performance of the element and results.

Tuning the synthesis of platinum-copper nanoparticles with a hollow core and porous shell for the selective hydrogenation of furfural to furfuryl alcohol

NASA Astrophysics Data System (ADS)

Huang, Shuangshuang; Yang, Nating; Wang, Shibin; Sun, Yuhan; Zhu, Yan

2016-07-01

Pt-Cu nanoparticles constructed with a hollow core and porous shell have been synthesized in which Pt-Cu cages with multiporous outermost shells are formed at the initial stage and then the Pt and Cu atoms in solution continuously fed these hollow-core of cages by passing through the porous tunnels of the outermost shells, finally leading to the formation of hollow structures with different sizes. Furthermore, these hollow-core Pt-Cu nanoparticles are more effective than the solid-core Pt-Cu nanoparticles for the catalytic hydrogenation of furfural toward furfuryl alcohol. The former can achieve almost 100% conversion of furfural with 100% selectivity toward the alcohol.Pt-Cu nanoparticles constructed with a hollow core and porous shell have been synthesized in which Pt-Cu cages with multiporous outermost shells are formed at the initial stage and then the Pt and Cu atoms in solution continuously fed these hollow-core of cages by passing through the porous tunnels of the outermost shells, finally leading to the formation of hollow structures with different sizes. Furthermore, these hollow-core Pt-Cu nanoparticles are more effective than the solid-core Pt-Cu nanoparticles for the catalytic hydrogenation of furfural toward furfuryl alcohol. The former can achieve almost 100% conversion of furfural with 100% selectivity toward the alcohol. Electronic supplementary information (ESI) available. See DOI: 10.1039/c6nr03894h

MHOST: An efficient finite element program for inelastic analysis of solids and structures

NASA Technical Reports Server (NTRS)

Nakazawa, S.

1988-01-01

An efficient finite element program for 3-D inelastic analysis of gas turbine hot section components was constructed and validated. A novel mixed iterative solution strategy is derived from the augmented Hu-Washizu variational principle in order to nodally interpolate coordinates, displacements, deformation, strains, stresses and material properties. A series of increasingly sophisticated material models incorporated in MHOST include elasticity, secant plasticity, infinitesimal and finite deformation plasticity, creep and unified viscoplastic constitutive model proposed by Walker. A library of high performance elements is built into this computer program utilizing the concepts of selective reduced integrations and independent strain interpolations. A family of efficient solution algorithms is implemented in MHOST for linear and nonlinear equation solution including the classical Newton-Raphson, modified, quasi and secant Newton methods with optional line search and the conjugate gradient method.

In-beam γ -ray spectroscopy of Mn 63

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

Baugher, T.; Gade, A.; Janssens, R. V. F.

2016-01-01

Background: Neutron-rich, even-mass chromium and iron isotopes approaching neutron number N = 40 have been important benchmarks in the development of shell-model effective interactions incorporating the effects of shell evolution in the exotic regime. Odd-mass manganese nuclei have received less attention, but provide important and complementary sensitivity to these interactions. Purpose: We report the observation of two new γ -ray transitions in 63 Mn , which establish the ( 9 / 2 - ) and ( 11 / 2 - ) levels on top of the previously known ( 7 / 2 - ) first-excited state. The lifetime for themore » ( 7 / 2 - ) and ( 9 / 2 - ) excited states were determined for the first time, while an upper limit could be established for the ( 11 / 2 - ) level. Method: Excited states in 63 Mn have been populated in inelastic scattering from a 9 Be target and in the fragmentation of 65 Fe . γ γ coincidence relationships were used to establish the decay level scheme. A Doppler line-shape analysis for the Doppler-broadened ( 7 / 2 - ) → 5 / 2 - , ( 9 / 2 - ) → ( 7 / 2 - ) , and ( 11 / 2 - ) → ( 9 / 2 - ) transitions was used to determine (limits for) the corresponding excited-state lifetimes. Results: The low-lying level scheme and the excited-state lifetimes were compared with large-scale shell-model calculations using different model spaces and effective interactions in order to isolate important aspects of shell evolution in this region of structural change. Conclusions: While the theoretical ( 7 / 2 - ) and ( 9 / 2 - ) excitation energies show little dependence on the model space, the calculated lifetime of the ( 7 / 2 - ) level and calculated energy of the ( 11 / 2 - ) level reveal the importance of including the neutron g 9 / 2 and d 5 / 2 orbitals in the model space. The LNPS effective shell-model interaction provides the best overall agreement with the new data.« less

Technical Operations Support III (TOPS III). Task Order 0018: Nanostructured Graphene-Like Polymers

DTIC Science & Technology

2010-06-01

diverse response by a large class of materials: viscoelastic fluids, inelasticity, crystallization of polymers, twinning, shape memory alloys , single...crystal super alloys , and viscoelastic solids. 15. SUBJECT TERMS 16. SECURITY CLASSIFICATION OF: 17. LIMITATION OF ABSTRACT: SAR 18. NUMBER...twinning (Rajagopal and Srinivasa (1997)), Kannan et al. (2002)), shape memory alloys (Rajagopal and Srinivasa (1999)), single crystal super alloys

Infinite-order sudden approximation for collisions involving molecules in Pi electronic states: a new derivation and calculations of rotationally inelastic cross sections for NO(x superscript 2 Pi) + He and Ar

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

Corey, G.C.; Alexander, M.H.

1986-11-15

A new derivation is presented of the infinite order sudden (IOS) approximation for rotationally inelastic collisions of a diatomic molecule in a Pi electronic state with a closed shell atom. This derivation clearly demonstrates the connection between the two sudden S functions for scattering off the adiabatic potential surface of A' and A symmetry, which would arise from an ab initio calculation on an atom + Pi-state molecule system, and the S matrix elements in diabatic basis, which are required in the quantum treatment of the collision dynamics. Coupled states and IOS calculations were carried out for collisions of NImore » X 2 Pi with helium and argon, based on a electron gas potential surface at total energies of 63, 150, and 300 meV. The IOS approximation is not reliable for collisions of NO with Ar, even at the highest collision energy considered here. However, for collisions with He at 150 and 300 meV, the IOS approximation is nearly quantitative for transitions both within and between the Omega = 1/2 and Omega = 3/2 manifolds.« less

Microscopic interpretation of inelastic electron scattering from even Ni isotopes

NASA Astrophysics Data System (ADS)

Yokoyama, Atsushi; Ogawa, Kengo

1990-10-01

Transition charge densities of inelastic electron scattering for the excitation of 2+ and 4+ states in even-mass Ni isotopes are investigated in terms of the standard shell model of the (p3/2,p1/2,f5/2)n configurations. Effective transition operators pertinent to the model space are derived by considering particle-hole excitations up to 12ħω for C2 and 14ħω for C4 transitions within the framework of a first-order perturbation theory. It is shown that surface-peaked transition charge densities can be obtained for the first excited 2+ and 4+ states, being in agreement with experiment. Particle-hole excitations up to λħω, e.g., λ=2 for C2 transition, are most responsible for that feature. Higher ħω excitations appear relatively significant in the interior region of the nucleus: They enhance the peak around the surface, improving further agreement with experiment, but for C2 transition they tend to generate another peak inside the nucleus and thus seem to deteriorate agreement with experiment. Transition densities for the 0+g.s.-->2+2,3 and 0+g.s.-->4+2 transitions are also discussed.

Measurements of the K -Shell Opacity of a Solid-Density Magnesium Plasma Heated by an X-Ray Free-Electron Laser

DOE PAGES

Preston, T. R.; Vinko, S. M.; Ciricosta, O.; ...

2017-08-25

We present measurements of the spectrally resolved x rays emitted from solid-density magnesium targets of varying sub-μm thicknesses isochorically heated by an x-ray laser. The data exhibit a largely thickness independent source function, allowing the extraction of a measure of the opacity to K-shell x rays within well-defined regimes of electron density and temperature, extremely close to local thermodynamic equilibrium conditions. The deduced opacities at the peak of the Kα transitions of the ions are consistent with those predicted by detailed atomic-kinetics calculations.

Nuclear reactor containment structure with continuous ring tunnel at grade

DOEpatents

Seidensticker, Ralph W.; Knawa, Robert L.; Cerutti, Bernard C.; Snyder, Charles R.; Husen, William C.; Coyer, Robert G.

1977-01-01

A nuclear reactor containment structure which includes a reinforced concrete shell, a hemispherical top dome, a steel liner, and a reinforced-concrete base slab supporting the concrete shell is constructed with a substantial proportion thereof below grade in an excavation made in solid rock with the concrete poured in contact with the rock and also includes a continuous, hollow, reinforced-concrete ring tunnel surrounding the concrete shell with its top at grade level, with one wall integral with the reinforced concrete shell, and with at least the base of the ring tunnel poured in contact with the rock.

Inertial Confinement fusion targets

NASA Technical Reports Server (NTRS)

Hendricks, C. D.

1982-01-01

Inertial confinement fusion (ICF) targets are made as simple flat discs, as hollow shells or as complicated multilayer structures. Many techniques were devised for producing the targets. Glass and metal shells are made by using drop and bubble techniques. Solid hydrogen shells are also produced by adapting old methods to the solution of modern problems. Some of these techniques, problems, and solutions are discussed. In addition, the applications of many of the techniques to fabrication of ICF targets is presented.

From Mixed-Metal MOFs to Carbon-Coated Core-Shell Metal Alloy@Metal Oxide Solid Solutions: Transformation of Co/Ni-MOF-74 to CoxNi1-x@CoyNi1-yO@C for the Oxygen Evolution Reaction.

PubMed

Sun, Dengrong; Ye, Lin; Sun, Fangxiang; García, Hermenegildo; Li, Zhaohui

2017-05-01

Calcination of the mixed-metal species Co/Ni-MOF-74 leads to the formation of carbon-coated Co x Ni 1-x @Co y Ni 1-y O with a metal core diameter of ∼3.2 nm and a metal oxide shell thickness of ∼2.4 nm embedded uniformly in the ligand-derived carbon matrix. The close proximity of Co and Ni in the mixed-metal Co/Ni-MOF-74 promotes the metal alloying and the formation of a solid solution of metal oxide during the calcination process. The presence of the tightly coated carbon shell prohibits particle agglomeration and stabilizes the Co x Ni 1-x @Co y Ni 1-y O nanoparticles in small size. The Co x Ni 1-x @Co y Ni 1-y O@C derived from Co/Ni-MOF-74 nanocomposites show superior performance for the oxygen evolution reaction (OER). The use of mixed-metal MOFs as precursors represents a powerful strategy for the fabrication of metal alloy@metal oxide solid solution nanoparticles in small size. This method also holds great promise in the development of multifunctional carbon-coated complex core-shell metal/metal oxides owing to the diversified MOF structures and their flexible chemistry.

Toxic chemical considerations for tank farm releases

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

Van Keuren, J.C.; Davis, J.S., Westinghouse Hanford

1996-08-01

This topical report contains technical information used to determine the accident consequences of releases of toxic chemical and gases for the Tank Farm Final Safety Analysis report (FSAR).It does not provide results for specific accident scenarios but does provide information for use in those calculations including chemicals to be considered, chemical concentrations, chemical limits and a method of summing the fractional contributions of each chemical. Tank farm composites evaluated were liquids and solids for double shell tanks, single shell tanks, all solids,all liquids, headspace gases, and 241-C-106 solids. Emergency response planning guidelines (ERPGs) were used as the limits.Where ERPGs weremore » not available for the chemicals of interest, surrogate ERPGs were developed. Revision 2 includes updated sample data, an executive summary, and some editorial revisions.« less

Ethanol Gas Detection Using a Yolk-Shell (Core-Shell) α-Fe2O3 Nanospheres as Sensing Material.

PubMed

Wang, LiLi; Lou, Zheng; Deng, Jianan; Zhang, Rui; Zhang, Tong

2015-06-17

Three-dimensional (3D) nanostructures of α-Fe2O3 materials, including both hollow sphere-shaped and yolk-shell (core-shell)-shaped, have been successfully synthesized via an environmentally friendly hydrothermal approach. By expertly adjusting the reaction time, the solid, hollow, and yolk-shell shaped α-Fe2O3 can be selectively synthesized. Yolk-shell α-Fe2O3 nanospheres display outer diameters of 350 nm, and the interstitial hollow spaces layer is intimately sandwiched between the inner and outer shell of α-Fe2O3 nanostructures. The possible growth mechanism of the yolk-shell nanostructure is proposed. The results showed that the well-defined bilayer interface effectively enhanced the sensing performance of the α-Fe2O3 nanostructures (i.e., yolk-shell α-Fe2O3@α-Fe2O3), owing predominantly to the unique nanostructure, thus facilitated the transport rate and augmented the adsorption quantity of the target gas molecule under gas detection.

Synthesis of fluorescent core-shell nanomaterials and strategies to generate white light

NASA Astrophysics Data System (ADS)

Singh, Amandeep; Kaur, Ramanjot; Pandey, O. P.; Wei, Xueyong; Sharma, Manoj

2015-07-01

In this work, cadmium free core-shell ZnS:X/ZnS (X = Mn, Cu) nanoparticles have been synthesized and used for white light generation. First, the doping concentration of Manganese (Mn) was varied from 1% to 4% to optimize the dopant related emission and its optimal value was found to be 1%. Then, ZnS shell was grown over ZnS:Mn(1%) core to passivate the surface defects. Similarly, the optimal concentration of Copper (Cu) was found to be 0.8% in the range varied from 0.6% to 1.2%. In order to obtain an emission in the whole visible spectrum, dual doping of Mn and Cu was done in the core and the shell, respectively. A solid-solid mixing in different ratios of separately doped quantum dots (QDs) emitting in the blue green and the orange region was performed. Results show that the optimum mixture of QDs excited at 300 nm gives Commission Internationale del'Éclairage color coordinates of (0.35, 0.36), high color rendering index of 88, and correlated color temperature of 4704 K with minimum self-absorption.

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

Kozioziemski, B.

A foam shell, 1.2 mm outer diameter with a 35 μm thick foam layer, is used to quickly form a solid deuterium layer for ICF. Figures show the visible light microscope image and a corresponding schematic representation. In each case, images show the empty foam shell, with the dark and light patches due to the foam imperfections; the foam shell with liquid deuterium filling the foam (in this case, the liquid level exceeds the foam level because the deuterium will shrink when it freezes); and an image of the shell taken 10 minutes after the center image, after the temperaturemore » was reduced by 2 K to freeze the deuterium. This image shows that the majority of the solid deuterium has no observable defects, with the exception of the isolated crystal that formed on the foam surface. The next step is to get the correct level of liquid and cooling rate to prevent the extra crystal on the surface. In contrast, typical ICF DT fuel layers require ~13 hours to solidify in order to be defect free with a success rate of approximately 20%.« less

2011 Dynamics at Surfaces Gordon Research Conference (August 7-12, 2011, Salve Regina University, Newport, Rhode Island)

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

Greg Sitz

2011-08-12

The 2011 Gordon Conference on Dynamics at Surfaces is the 32nd anniversary of a meeting held every two years that is attended by leading researchers in the area of experimental and theoretical dynamics at liquid and solid surfaces. The conference focuses on the dynamics of the interaction of molecules with either liquid or solid surfaces, the dynamics of the outermost layer of liquid and solid surfaces and the dynamics at the liquid-solid interface. Specific topics that are featured include state-to-state scattering dynamics, chemical reaction dynamics, non-adiabatic effects in reactive and inelastic scattering of molecules from surfaces, single molecule dynamics atmore » surfaces, surface photochemistry, ultrafast dynamics at surfaces, and dynamics at water interfaces. The conference brings together investigators from a variety of scientific disciplines including chemistry, physics, materials science, geology, biophysics, and astronomy.« less

Elastic and inelastic scattering of positrons in gases and solids

NASA Technical Reports Server (NTRS)

Mcgowan, J. W.

1972-01-01

Three apparatuses were designed and built: The first, which is now operative, was designed to study the details of positron thermalization in solids and the subsequent emission of the low energy positrons from moderating foils; The second apparatus now under test is a positron bottle similar in design to an electron trap. It was built to store positrons at a fixed energy and to look at the number of stored positrons (storage time) as a function of a scattering gas in the vacuum chamber. The third apparatus is a crossed beam apparatus where positron-, alkali scattering will be studied. Much of the apparatus is now under test with electrons.

Electrostrictive Mechanism of Nanostructure Formation at Solid Surfaces Irradiated by Femtosecond Laser Pulses.

PubMed

Pavlyniuk, Oleg R; Datsyuk, Vitaly V

2016-12-01

The significance of the mechanical pressure of light in creation of laser-induced periodic surface structures (LIPSSs) is investigated. Distributions of the electrically induced normal pressure and tangential stress at the illuminated solid surface, as well as the field of volume electrostrictive forces, are calculated taking into account surface plasmon polariton (SPP) excitation. Based on these calculations, we predict surface destruction and structure formation due to inelastic deformations during single femtosecond pulses. The calculated fields of the electromagnetic forces are found to agree well with the experimental ripple structures. We thus conclude that the electrostrictive forces can explain the origin of the periodic ripple structures.

Stacked vapor fed amtec modules

DOEpatents

Sievers, Robert K.

1989-01-01

The present invention pertains to a stacked AMTEC module. The invention includes a tubular member which has an interior. The member is comprised of a ion conductor that substantially conducts ions relative to electrons, preferably a beta"-alumina solid electrolyte, positioned about the interior. A porous electrode for conducting electrons and allowing sodium ions to pass therethrough, and wherein electrons and sodium ions recombine to form sodium is positioned about the beta"-alumina solid electrolyte. The electrode is operated at a temperature and a pressure that allows the recombined sodium to vaporize. Additionally, an outer current collector grid for distributing electrons throughout the porous electrode is positioned about and contacts the porous electrode. Also included in the invention is transporting means for transporting liquid sodium to the beta"-alumina solid electrolyte of the tubular member. A transition piece is positioned about the interior of the member and contacts the transporting means. The transition piece divides the member into a first cell and a second cell such that each first and second cell has a beta"-alumina solid electrolyte, a first and second porous electrode and a grid. The transition piece conducts electrons from the interior of the tubular member. There is supply means for supplying sodium to the transporting means. Preferably the supply means is a shell which surrounds the tubular member and is operated at a temperature such that the vaporized sodium condenses thereon. Returning means for returning the condensed sodium from the shell to the transporting means provides a continuous supply of liquid sodium to the transporting means. Also, there are first conducting means for conducting electric current from the transition piece which extends through the shell, and second conducting means for conducting electric current to the grid of the first cell which extends through the shell.

Slush Fund: The Multiphase Nature of Oceanic Ices and Its Role in Shaping Europa's Icy Shell

NASA Astrophysics Data System (ADS)

Buffo, J.; Schmidt, B. E.; Huber, C.

2017-12-01

The role of Europa's ice shell in mediating ocean-surface interaction, constraining potential habitability of the underlying hydrosphere, and dictating the surface morphology of the moon is discussed extensively in the literature, yet the dynamics and characteristics of the shell itself remain largely unconstrained. Some of the largest unknowns arise from underrepresented physics and varying a priori assumptions built into the current ice shell models. Here we modify and apply a validated one-dimensional reactive transport model designed to simulate the formation and evolution of terrestrial sea ice to the Europa environment. The top-down freezing of sea ice due to conductive heat loss to the atmosphere is akin to the formation of the Jovian moon's outer ice shell, albeit on a different temporal and spatial scale. Nevertheless, the microscale physics that govern the formation of sea ice on Earth (heterogenous solidification leading to brine pockets and channels, multiphase reactive transport phenomena, gravity drainage) likely operate in a similar manner at the ice-ocean interface of Europa, dictating the thermal, chemical, and mechanical properties of the ice shell. Simulations of the European ice-ocean interface at different stages during the ice shell's evolution are interpolated to produce vertical profiles of temperature, salinity, solid fraction, and eutectic points throughout the entire shell. Additionally, the model is coupled to the equilibrium chemistry package FREZCHEM to investigate the impact a diverse range of putative European ocean chemistries has on ice shell properties. This method removes the need for a priori assumptions of impurity entrainment rates and ice shell properties, thus providing a first principles constraint on the stratigraphic characteristics of a simulated European ice shell. These insights have the potential to improve existing estimates for the onset of solid state convection, melt lens formation due to eutectic melting, ice shell thickness, and ocean-surface interaction rates. Moreover, this work aims to shed light on the important role microscale physics plays in determining the macroscale properties of icy worlds by highlighting and adapting successful multiphase reactive transport sea ice models utilized in large scale Earth systems science simulations.

Hen genetic strain and extended cold storage influence on physical egg quality from cage-free aviary housing system.

PubMed

Jones, D R; Karcher, D M; Regmi, P; Robison, C O; Gast, R K

2018-04-02

In the United States, there is an increase in need for cage-free eggs in retail and food manufacturing sectors. Understanding the impact of cage-free systems and the corresponding management on egg quality is pertinent as the U.S. industry adapts existing housing and builds new cage-free housing structures. A study was conducted comparing 2 brown shell and 2 white shell hen strains housed in a cage-free aviary system. Each set of eggs were placed in cold storage and assessed at 0, 2, 4, 8, and 12 wk. Eggs were collected at 21, 31, 42, and 60 wk of hen age. A full profile of physical quality measurements was conducted on up to 18 intact eggs for each hen strain/egg storage/hen age combination. Egg weight increased approximately 10 g for brown shell and 14 g for white shell eggs as hens aged. Many of the properties monitored were significantly impacted by all 3 main effects (hen strain, egg storage, and hen age) resulting in 3-way interactions. A brown and a white shell strain had stronger shells (44 N; P < 0.0001) than the remaining brown and white shell strains (42 N and 39 N, respectively). The current study also determined volume of shell, total length, maximum width, and percent length at maximum width to more accurately indicate egg shape than shape index. One brown shell strain produced eggs with the most consistent shape characteristics over the hen ages monitored. White shell eggs from the cage-free aviary housing produced the highest whole-egg total solids between 31 to 60 wk of hen age, whereas brown shell eggs resulted in the most consistent level of whole-egg total solids (22-23.5%). The brown and white shell strains in the current study produce cage-free aviary eggs with distinctive physical quality attributes. The outcomes from this study can be utilized by the U.S. egg industry in planning management strategies and market placement of cage-free eggs.

Low Cost CaTiO3 Perovskite Synthesized from Scallop (Anadara granosa) Shell as Antibacterial Ceramic Material

NASA Astrophysics Data System (ADS)

Fatimah, Is; Nur Ilahi, Rico; Pratami, Rismayanti

2018-01-01

Research on perovskite CaTiO3 synthesis from scallop (Anadara granosa) shell and its test as material for antibacterial ceramic application have been conducted. The synthesis was performed by calcium extraction from the scallop shell followed by solid-solid reaction of obtained calcium with TiO2. Physicochemical character of the perovskite wasstudied by measurement of crystallinity using x-ray diffraction (XRD), diffuse-reflectance UV Visible spectrophotometry, scanning electrone microscope-energy dispersive x-ray (SEM-EDX) and Fourier-Transform InfraRed. Considering the future application of the perovskite as antibacterial agent, laboratory test of the peroskite as material in antibacterial ceramic preparation was also conducted. Result of research indicated that perovskite formation was obtained and the material demonstrated photocatalytic activity as identified by band gap energy (Eg) value. The significant activity was also reflected by the antibacterial action of formed ceramic.

Three-dimensional flat shell-to-shell coupling: numerical challenges

NASA Astrophysics Data System (ADS)

Guo, Kuo; Haikal, Ghadir

2017-11-01

The node-to-surface formulation is widely used in contact simulations with finite elements because it is relatively easy to implement using different types of element discretizations. This approach, however, has a number of well-known drawbacks, including locking due to over-constraint when this formulation is used as a twopass method. Most studies on the node-to-surface contact formulation, however, have been conducted using solid elements and little has been done to investigate the effectiveness of this approach for beam or shell elements. In this paper we show that locking can also be observed with the node-to-surface contact formulation when applied to plate and flat shell elements even with a singlepass implementation with distinct master/slave designations, which is the standard solution to locking with solid elements. In our study, we use the quadrilateral four node flat shell element for thin (Kirchhoff-Love) plate and thick (Reissner-Mindlin) plate theory, both in their standard forms and with improved formulations such as the linked interpolation [1] and the Discrete Kirchhoff [2] elements for thick and thin plates, respectively. The Lagrange multiplier method is used to enforce the node-to-surface constraints for all elements. The results show clear locking when compared to those obtained using a conforming mesh configuration.

Tuning of shell thickness of solid lipid particles impacts the chemical stability of encapsulated ω-3 fish oil.

PubMed

Salminen, Hanna; Helgason, Thrandur; Kristinsson, Bjarki; Kristbergsson, Kristberg; Weiss, Jochen

2017-03-15

This study demonstrates that tuning the shell thickness of lipid particles can modulate their oxidative stability. We hypothesized that a thick crystallized shell around the incorporated fish oil would improve the oxidative stability due to the reduced diffusion of prooxidants and oxygen. We prepared solid lipid nanoparticles (5%w/w lipid phase, 1.5%w/w surfactant, pH 7) by using different ratios of tristearin as carrier lipid and ω-3 fish oil as incorporated liquid lipid stabilized by high- or low-melting lecithin. The physical, polymorphic and oxidative stability of the lipid particles was assessed. The high-melting lecithin was the key in inducing the formation of a solidified tristearin shell around the lipid particles by interfacial heterogeneous nucleation. Lipid particles containing a higher ratio of tristearin showed a better oxidative stability. The results revealed that a crystallized tristearin layer above 10nm was required to inhibit oxidation of the incorporated fish oil. This cut-off was shown for lipid particles containing 50-60% fish oil. This research gives important insights into understanding the relation between the thickness of the crystallized shell around the lipid particles and their chemical stability. Copyright © 2016 Elsevier Inc. All rights reserved.

Electrosprayed core–shell solid dispersions of acyclovir fabricated using an epoxy-coated concentric spray head

PubMed Central

Liu, Zhe-Peng; Cui, Lei; Yu, Deng-Guang; Zhao, Zhuan-Xia; Chen, Lan

2014-01-01

A novel structural solid dispersion (SD) taking the form of core–shell microparticles for poorly water-soluble drugs is reported for the first time. Using polyvinylpyrrolidone (PVP) as a hydrophilic polymer matrix, the SDs were fabricated using coaxial electrospraying (characterized by an epoxy-coated concentric spray head), although the core fluids were unprocessable using one-fluid electrospraying. Through manipulating the flow rates of the core drug-loaded solutions, two types of core–shell microparticles with tunable drug contents were prepared. They had average diameters of 1.36±0.67 and 1.74±0.58 μm, and were essentially a combination of nanocomposites with the active ingredient acyclovir (ACY) distributed in the inner core, and the sweeter sucralose and transmembrane enhancer sodium dodecyl sulfate localized in the outer shell. Differential scanning calorimetry and X-ray diffraction results demonstrated that ACY, sodium dodecyl sulfate, and sucralose were well distributed in the PVP matrix in an amorphous state because of favorable second-order interactions. In vitro dissolution and permeation studies showed that the core–shell microparticle SDs rapidly freed ACY within 1 minute and promoted nearly eightfold increases in permeation rate across the sublingual mucosa compared with raw ACY powders. PMID:24790437

Core-shell microspheres with porous nanostructured shells for liquid chromatography.

PubMed

Ahmed, Adham; Skinley, Kevin; Herodotou, Stephanie; Zhang, Haifei

2018-01-01

The development of new stationary phases has been the key aspect for fast and efficient high-performance liquid chromatography separation with relatively low backpressure. Core-shell particles, with a solid core and porous shell, have been extensively investigated and commercially manufactured in the last decade. The excellent performance of core-shell particles columns has been recorded for a wide range of analytes, covering small and large molecules, neutral and ionic (acidic and basic), biomolecules and metabolites. In this review, we first introduce the advance and advantages of core-shell particles (or more widely known as superficially porous particles) against non-porous particles and fully porous particles. This is followed by the detailed description of various methods used to fabricate core-shell particles. We then discuss the applications of common silica core-shell particles (mostly commercially manufactured), spheres-on-sphere particles and core-shell particles with a non-silica shell. This review concludes with a summary and perspective on the development of stationary phase materials for high-performance liquid chromatography applications. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

High frequency material issues in scattering of sound by objects in water

NASA Astrophysics Data System (ADS)

Dudley, Christopher

Ray theoretic models were shown to predict scattering enhancements from laboratory scale cylindrical targets in water. Synthetic aperture sonar and acoustical holographic images were constructed from bistatic scattering. Targets of increasing complexity from material properties were investigated. Models range from simple ray optic style to corrections for transversely isotropic materials. To correctly model the complexity of anisotropic material such as fiberglass, the five independent elastic constants and the density were measured. In all of the cylindrical shells and solid targets, enhancements are observable for ka values ranging from 9 to 40 where k is the wavenumber and a is the cylinder radius. The simpler targets consist of a low sound speed fluid within a thin plastic or fiberglass shell (11 < ka < 40). Shells were taken to be sufficiently thin so that the shell dynamics could be neglected in the models. The fluid has a density near that of water with a sound speed less than water. It is straightforward to construct the location and length of bright features for the fluid filled shells. Solid finite cylinders of polystyrene (9 < ka < 23) and fiberglass (ka = 17 and 22) were found to have more structure in echoes than the fluid filled shells. Bright image features existed from longitudinal as well as shear wave propagation within the polystyrene. A model including shear and longitudinal wave components showed good agrement with experiments with respect to timing and length of features for RexoliteRTM. Fiberglass is the most complex due to the anisotropic symmetry of the material. The slowness matrix allowed for modeling of timing aspects of the solid fiberglass cylinder. For a flat polystyrene half-space there is predicted to be a prominent enhancement of the acoustic reflection for an angle of incidence near 40°. Measurements showed the existence of a related peak in the reflection from solid Rexolite cylinders with ka near 9. Related peaks in the reflection from coated cylinders were observed. The properties of sound transmitted by a stainless steel plate in water was investigated. The relevant S2b leaky Lamb waves have been previously demonstrated on spherical shells [Kaduchak et al., J. Acoust. Soc. Am. 96, 3704 (1994)]. Directional properties of guided waves excited on a stainless steel plate in water were observed. Guided waves could be excited on the plate having group and phase velocities oppositely directed and such waves could profoundly influence the transmission of sound.

Application of the Shell/3D Modeling Technique for the Analysis of Skin-Stiffener Debond Specimens

NASA Technical Reports Server (NTRS)

Krueger, Ronald; O'Brien, T. Kevin; Minguet, Pierre J.

2002-01-01

The application of a shell/3D modeling technique for the simulation of skin/stringer debond in a specimen subjected to three-point bending is demonstrated. The global structure was modeled with shell elements. A local three-dimensional model, extending to about three specimen thicknesses on either side of the delamination front was used to capture the details of the damaged section. Computed total strain energy release rates and mixed-mode ratios obtained from shell/13D simulations were in good agreement with results obtained from full solid models. The good correlations of the results demonstrated the effectiveness of the shell/3D modeling technique for the investigation of skin/stiffener separation due to delamination in the adherents.

Full-potential theoretical investigations of electron inelastic mean free paths and extended x-ray absorption fine structure in molybdenum.

PubMed

Chantler, C T; Bourke, J D

2014-04-09

X-ray absorption fine structure (XAFS) spectroscopy is one of the most robust, adaptable, and widely used structural analysis tools available for a range of material classes from bulk solids to aqueous solutions and active catalytic structures. Recent developments in XAFS theory have enabled high-accuracy calculations of spectra over an extended energy range using full-potential cluster modelling, and have demonstrated particular sensitivity in XAFS to a fundamental electron transport property-the electron inelastic mean free path (IMFP). We develop electron IMFP theory using a unique hybrid model that simultaneously incorporates second-order excitation losses, while precisely accounting for optical transitions dictated by the complex band structure of the solid. These advances are coupled with improved XAFS modelling to determine wide energy-range absorption spectra for molybdenum. This represents a critical test case of the theory, as measurements of molybdenum K-edge XAFS represent the most accurate determinations of XAFS spectra for any material. We find that we are able to reproduce an extended range of oscillatory structure in the absorption spectrum, and demonstrate a first-time theoretical determination of the absorption coefficient of molybdenum over the entire extended XAFS range utilizing a full-potential cluster model.

Ambient-Pressure X-ray Photoelectron Spectroscopy to Characterize the Solid/Liquid Interface: Probing the Electrochemical Double Layer

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

Favaro, Marco; Liu, Zhi; Crumlin, Ethan J.

Ambient-pressure X-ray photoelectron spectroscopy (APXPS) has contributed greatly to a wide range of research fields, including environmental science, catalysis, and electrochemistry, to name a few. The use of this technique at synchrotron facilities primarily focused on probing the solid/gas interface; however, it quickly advanced to the probing of liquid/vapor interfaces and solid/liquid interfaces through an X-ray-transparent window. Most recently, combining APXPS with “Tender” X-rays (~2.5 keV to 8 keV) on beamline 9.3.1 at the Advanced Light Source in Lawrence Berkeley National Laboratory (which can generate photoelectrons with much longer inelastic mean free paths) has enabled us to probe the solid/liquidmore » interface without needing a window. This innovation allows us to probe interfacial chemistries of electrochemically controlled solid/liquid interfaces undergoing charge transfer reactions. Lastly, these advancements have transitioned APXPS from a traditional surface science tool to an essential interface science technique.« less

Ambient-Pressure X-ray Photoelectron Spectroscopy to Characterize the Solid/Liquid Interface: Probing the Electrochemical Double Layer

DOE PAGES

Favaro, Marco; Liu, Zhi; Crumlin, Ethan J.

2017-03-31

Ambient-pressure X-ray photoelectron spectroscopy (APXPS) has contributed greatly to a wide range of research fields, including environmental science, catalysis, and electrochemistry, to name a few. The use of this technique at synchrotron facilities primarily focused on probing the solid/gas interface; however, it quickly advanced to the probing of liquid/vapor interfaces and solid/liquid interfaces through an X-ray-transparent window. Most recently, combining APXPS with “Tender” X-rays (~2.5 keV to 8 keV) on beamline 9.3.1 at the Advanced Light Source in Lawrence Berkeley National Laboratory (which can generate photoelectrons with much longer inelastic mean free paths) has enabled us to probe the solid/liquidmore » interface without needing a window. This innovation allows us to probe interfacial chemistries of electrochemically controlled solid/liquid interfaces undergoing charge transfer reactions. Lastly, these advancements have transitioned APXPS from a traditional surface science tool to an essential interface science technique.« less

Structure of Oxide Glass and Melts at High-Pressure: A View from Inelastic X-ray Scattering and 2D Solid-State NMR

NASA Astrophysics Data System (ADS)

Lee, S.; Mysen, B. O.; Fei, Y.; Cody, G. D.; Mao, H.; Eng, P.

2006-12-01

Full understanding of the atomic arrangement of oxides glasses and melts both at ambient and high-pressure has long been one of the fundamental and yet difficult problems in earth sciences, condensed matter physics as well as glass sciences. The structures of archetypal oxide glasses (e.g. SiO2 and B2O3) as well as complex silicate glasses (ternary and quaternary aluminosilicate glasses) at high pressure are essential to elucidate origins of anomalous macroscopic properties of melts and global geophysical processes in the Earth's interior. Recent progress in inelastic x-ray scattering (IXS) with high brilliance 3rd generation synchrotron x-rays combined with DAC techniques allows us to explore pressure-induced changes in the bonding nature of archetypal amorphous oxide, illustrating a new opportunity to study amorphous oxides with IXS (Lee SK et al. Nature Materials 2005, 4, p851). 2 dimensional solid-state NMR have offered much improved resolution over conventional 1D NMR, unveiling previously unknown structural details of amorphous silicates at high pressure (Lee SK. Geochim. Cosmochim. Acta 2005, 69, p3695; J. Phys. Chem. B. 2006, 110, p16408) Here, we report the synchrotron inelastic x-ray scattering results (oxygen and boron K-edge) for divers oxide glasses at pressure up to 40 GPa, revealing the nature of pressure-induced bonding changes and the structure. Direct in-situ measurements provide evidence for a continuous transformation with multiple densification mechanisms. 2D solid-state NMR spectra for silicate and germinate glasses shows detailed information about extent of disorder among framework units at high pressure. The chemical ordering among framework units leads to the formation of ^{[5,6]}Si-O-^{[4]}Si in silicates and ^{[5,6]}Al-O-^{[4]}Si in aluminosilicates. Whereas the densification mechanism can be dependent on the chemical composition and the fraction of non-bridging oxygen, the pressure dependence of both simple and complex multi-component silicate glasses showed similar characteristics: low pressure regime was marked with topological variation without coordination transformation and inter-mediate pressure region (about 5-10 GPa) was characterized by the largest (d(^{[4]}B or ^{[5,6]}Si)/dP) value. Finally high-pressure regime (above 10 GPa) was characterized by a larger energy penalty for coordination transformation than in intermediate pressure regime. These results provide improved prospect for the bonding nature of amorphous materials at high pressure using synchrotron inelastic x-ray scattering and 2D NMR and aid in understanding the microscopic origins of the properties of melts and geological processes in the Earth's interior.

A cryogenic high pressure cell for inelastic neutron scattering measurements of quantum fluids and solids.

PubMed

Carmichael, J R; Diallo, S O

2013-01-01

We present our new development of a high pressure cell for inelastic neutron scattering measurements of helium at ultra-low temperatures. The cell has a large sample volume of ~140 cm(3) and a working pressure of ~7 MPa, with a relatively thin wall-thickness (1.1 mm)--thanks to the high yield strength aluminum used in the design. Two variants of this cell have been developed. The first cell is permanently joined components using electron-beam welding and explosion welding, methods that have little or no impact on the global heat treatment of the cell. The second cell discussed has modular and interchangeable components, which includes a capacitance pressure gauge, that can be sealed using the traditional indium wire technique. The performance of the cells have been tested in recent measurements on superfluid liquid helium near the solidification line.

Parity Violation in Deep Inelastic Scattering in Hall C at JLab

NASA Astrophysics Data System (ADS)

Dalton, Mark Macrae; Keppel, Cynthia; Paschke, Kent

2017-09-01

The measurement of parity-violation in inclusive electron deep inelastic scattering (DIS) from a proton or deuteron target can be used to study the flavor structure of the nucleon. While valence quark parton distribution functions (PDF) can be probed in high- x measurements such as with the proposed SoLID spectrometer, complementary measurements are possible at moderate x 0.1 where the sea quarks may still play a significant role. In particular, such measurements would provide a cleanly interpretable measurement of the strange quark PDF. These measurements are possible with the upgraded CEBAF accelerator at JLab and do not require significant new experimental hardware. The prospects and potential impacts of such a measurement will be presented. This material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Nuclear Physics under Contract DE-AC05-06OR23177 and DE-FG02-07ER41522.

A cryogenic high pressure cell for inelastic neutron scattering measurements of quantum fluids and solids

NASA Astrophysics Data System (ADS)

Carmichael, J. R.; Diallo, S. O.

2013-01-01

We present our new development of a high pressure cell for inelastic neutron scattering measurements of helium at ultra-low temperatures. The cell has a large sample volume of ˜140 cm3 and a working pressure of ˜7 MPa, with a relatively thin wall-thickness (1.1 mm)—thanks to the high yield strength aluminum used in the design. Two variants of this cell have been developed. The first cell is permanently joined components using electron-beam welding and explosion welding, methods that have little or no impact on the global heat treatment of the cell. The second cell discussed has modular and interchangeable components, which includes a capacitance pressure gauge, that can be sealed using the traditional indium wire technique. The performance of the cells have been tested in recent measurements on superfluid liquid helium near the solidification line.

Population and decay of a K π = 8 – two-quasineutron isomer in Pu 244

DOE PAGES

Hota, S. S.; Tandel, S. K.; Chowdhury, P.; ...

2016-08-22

Here, the decay of a K π = 8 – isomer in 244Pu and the collective band structures populating the isomer were studied using deep inelastic excitations with 47Ti and 208Pb beams, respectively. Precise measurements of M1/E2 branching ratios in the band confirm a 9/2 –[734] νⓍ7/2 +[624] ν configuration assignment for the isomer, validating the systematics of K π = 8 –, two-quasineutron isomers observed in even-Z, N = 150 isotones. These isomers around the deformed shell gap at N = 152 provide critical benchmarks for theoretical predictions of single-particle energies in this gateway region to superheavy nuclei.

Population and decay of a K π = 8 – two-quasineutron isomer in Pu 244

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

Hota, S. S.; Tandel, S. K.; Chowdhury, P.

Here, the decay of a K π = 8 – isomer in 244Pu and the collective band structures populating the isomer were studied using deep inelastic excitations with 47Ti and 208Pb beams, respectively. Precise measurements of M1/E2 branching ratios in the band confirm a 9/2 –[734] νⓍ7/2 +[624] ν configuration assignment for the isomer, validating the systematics of K π = 8 –, two-quasineutron isomers observed in even-Z, N = 150 isotones. These isomers around the deformed shell gap at N = 152 provide critical benchmarks for theoretical predictions of single-particle energies in this gateway region to superheavy nuclei.

Experimental study of neutron-rich nuclei near the N = 82 closed shell using the {sub 40}{sup 96}Zr+{sub 50}{sup 124}Sn reaction with GASP and PRISMA-CLARA arrays

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

Rodríguez, W.; Torres, D. A.; Cristancho, F.

2014-11-11

In this contribution an experimental study of the deep-inelastic reaction {sub 40}{sup 96}Zr+{sub 50}{sup 124}Sn at 530 MeV, using the GASP and PRISMA-CLARA arrays, is presented. The experiments populate a wealth of projectile-like and target-like binary fragments, in a large neutron-rich region around N ≥ 50 and Z ≈ 40. Preliminary results on the study of the yrast and near-yrast states for {sup 95}Nb will be shown, along with a comparison of the experimental yields obtained in the experiments.

Model of resonant high harmonic generation in multi-electron systems

NASA Astrophysics Data System (ADS)

Redkin, P. V.; Ganeev, R. A.

2017-09-01

We extend the 4-step analytical model of resonant enhancement of high harmonic generation to the systems possessing resonant transitions of inner-shell electrons. Resonant enhancement is explained by lasing without inversion in a three-level system of ground, excited and shifted resonant states, which are coupled to the fundamental field and its high harmonics. The role of inelastic scattering is studied by simulation of an excited state’s population dynamics. It is shown that maximal gain is achieved when the energy shift between the excited state and resonant state is close to the energy of the fundamental photon. To prove the concept we demonstrate the enhancement of harmonics in the In plasma using different pumps.

Lithography-Free Fabrication of Core-Shell GaAs Nanowire Tunnel Diodes.

PubMed

Darbandi, A; Kavanagh, K L; Watkins, S P

2015-08-12

GaAs core-shell p-n junction tunnel diodes were demonstrated by combining vapor-liquid-solid growth with gallium oxide deposition by atomic layer deposition for electrical isolation. The characterization of an ensemble of core-shell structures was enabled by the use of a tungsten probe in a scanning electron microscope without the need for lithographic processing. Radial tunneling transport was observed, exhibiting negative differential resistance behavior with peak-to-valley current ratios of up to 3.1. Peak current densities of up to 2.1 kA/cm(2) point the way to applications in core-shell photovoltaics and tunnel field effect transistors.

Ab initio molecular crystal structures, spectra, and phase diagrams.

PubMed

Hirata, So; Gilliard, Kandis; He, Xiao; Li, Jinjin; Sode, Olaseni

2014-09-16

Conspectus Molecular crystals are chemists' solids in the sense that their structures and properties can be understood in terms of those of the constituent molecules merely perturbed by a crystalline environment. They form a large and important class of solids including ices of atmospheric species, drugs, explosives, and even some organic optoelectronic materials and supramolecular assemblies. Recently, surprisingly simple yet extremely efficient, versatile, easily implemented, and systematically accurate electronic structure methods for molecular crystals have been developed. The methods, collectively referred to as the embedded-fragment scheme, divide a crystal into monomers and overlapping dimers and apply modern molecular electronic structure methods and software to these fragments of the crystal that are embedded in a self-consistently determined crystalline electrostatic field. They enable facile applications of accurate but otherwise prohibitively expensive ab initio molecular orbital theories such as Møller-Plesset perturbation and coupled-cluster theories to a broad range of properties of solids such as internal energies, enthalpies, structures, equation of state, phonon dispersion curves and density of states, infrared and Raman spectra (including band intensities and sometimes anharmonic effects), inelastic neutron scattering spectra, heat capacities, Gibbs energies, and phase diagrams, while accounting for many-body electrostatic (namely, induction or polarization) effects as well as two-body exchange and dispersion interactions from first principles. They can fundamentally alter the role of computing in the studies of molecular crystals in the same way ab initio molecular orbital theories have transformed research practices in gas-phase physical chemistry and synthetic chemistry in the last half century. In this Account, after a brief summary of formalisms and algorithms, we discuss applications of these methods performed in our group as compelling illustrations of their unprecedented power in addressing some of the outstanding problems of solid-state chemistry, high-pressure chemistry, or geochemistry. They are the structure and spectra of ice Ih, in particular, the origin of two peaks in the hydrogen-bond-stretching region of its inelastic neutron scattering spectra, a solid-solid phase transition from CO2-I to elusive, metastable CO2-III, pressure tuning of Fermi resonance in solid CO2, and the structure and spectra of solid formic acid, all at the level of second-order Møller-Plesset perturbation theory or higher.

Tailoring gadolinium-doped ceria-based solid oxide fuel cells to achieve 2 W cm(-2) at 550 °C.

PubMed

Lee, Jin Goo; Park, Jeong Ho; Shul, Yong Gun

2014-06-04

Low-temperature operation is necessary for next-generation solid oxide fuel cells due to the wide variety of their applications. However, significant increases in the fuel cell losses appear in the low-temperature solid oxide fuel cells, which reduce the cell performance. To overcome this problem, here we report Gd0.1Ce0.9O1.95-based low-temperature solid oxide fuel cells with nanocomposite anode functional layers, thin electrolytes and core/shell fibre-structured Ba0.5Sr0.5Co0.8Fe0.2O3-δ-Gd0.1Ce0.9O1.95 cathodes. In particular, the report describes the use of the advanced electrospinning and Pechini process in the preparation of the core/shell-fibre-structured cathodes. The fuel cells show a very high performance of 2 W cm(-2) at 550 °C in hydrogen, and are stable for 300 h even under the high current density of 1 A cm(-2). Hence, the results suggest that stable and high-performance solid oxide fuel cells at low temperatures can be achieved by modifying the microstructures of solid oxide fuel cell components.

Nonsequential two-photon absorption from the K shell in solid zirconium

DOE PAGES

Ghimire, Shambhu; Fuchs, Matthias; Hastings, Jerry; ...

2016-10-21

Here, we report the observation of nonsequential two-photon absorption from the K shell of solid Zr (atomic number Z=40) using intense x-ray pulses from the Spring-8 Angstrom Compact Free-Electron Laser (SACLA). We determine the generalized nonlinear two-photon absorption cross section at the two-photon threshold in the range of 3.9–57 ×10 –60 cm 4s bounded by the estimated uncertainty in the absolute intensity. The lower limit is consistent with the prediction of 3.1 ×10 –60 cm 4s from the nonresonant Z –6 scaling for hydrogenic ions in the nonrelativistic, dipole limit.

Evaluation of Flygt Propeller Xixers for Double Shell Tank (DST) High Level Waste Auxiliary Solids Mobilization

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

PACQUET, E.A.

The River Protection Project (RPP) is planning to retrieve radioactive waste from the single-shell tanks (SST) and double-shell tanks (DST) underground at the Hanford Site. This waste will then be transferred to a waste treatment plant to be immobilized (vitrified) in a stable glass form. Over the years, the waste solids in many of the tanks have settled to form a layer of sludge at the bottom. The thickness of the sludge layer varies from tank to tank, from no sludge or a few inches of sludge to about 15 ft of sludge. The purpose of this technology and engineeringmore » case study is to evaluate the Flygt{trademark} submersible propeller mixer as a potential technology for auxiliary mobilization of DST HLW solids. Considering the usage and development to date by other sites in the development of this technology, this study also has the objective of expanding the knowledge base of the Flygt{trademark} mixer concept with the broader perspective of Hanford Site tank waste retrieval. More specifically, the objectives of this study delineated from the work plan are described.« less

Multiple-collision analysis of characteristic X-rays from low-energy Ar 2+ travelling in solid targets

NASA Astrophysics Data System (ADS)

Cipolla, Sam J.; Mildebrath, Mark E.

1983-12-01

The density of atoms in a solid target fosters a multiple-collision mechanism that leads to the production of an equilibrium fraction of L-shell vacancies in an incident heavy ion. It is then possiblein a subsequent ion-atom collision in the solid for an L-vacancy to be transferred to the K-shell of a target atom via rotational coupling of the 2p π-2p σ molecular orbitals formed in the ion-atom quasimolecule. The vacancy-transfer cross section and the equilibrium fraction and lifetime of the vacancies can be found by using an appropriate multiple-collision analysis of the characteristic target and projectile X-rays. Results will be presented for 160-380 keV Ar 2+ incident of targets of Mg, Al, and Si.

CAD-based Automatic Modeling Method for Geant4 geometry model Through MCAM

NASA Astrophysics Data System (ADS)

Wang, Dong; Nie, Fanzhi; Wang, Guozhong; Long, Pengcheng; LV, Zhongliang; LV, Zhongliang

2014-06-01

Geant4 is a widely used Monte Carlo transport simulation package. Before calculating using Geant4, the calculation model need be established which could be described by using Geometry Description Markup Language (GDML) or C++ language. However, it is time-consuming and error-prone to manually describe the models by GDML. Automatic modeling methods have been developed recently, but there are some problem existed in most of present modeling programs, specially some of them were not accurate or adapted to specifically CAD format. To convert the GDML format models to CAD format accurately, a Geant4 Computer Aided Design (CAD) based modeling method was developed for automatically converting complex CAD geometry model into GDML geometry model. The essence of this method was dealing with CAD model represented with boundary representation (B-REP) and GDML model represented with constructive solid geometry (CSG). At first, CAD model was decomposed to several simple solids which had only one close shell. And then the simple solid was decomposed to convex shell set. Then corresponding GDML convex basic solids were generated by the boundary surfaces getting from the topological characteristic of a convex shell. After the generation of these solids, GDML model was accomplished with series boolean operations. This method was adopted in CAD/Image-based Automatic Modeling Program for Neutronics & Radiation Transport (MCAM), and tested with several models including the examples in Geant4 install package. The results showed that this method could convert standard CAD model accurately, and can be used for Geant4 automatic modeling.

Preparation of yolk-shell MoS2 nanospheres covered with carbon shell for excellent lithium-ion battery anodes

NASA Astrophysics Data System (ADS)

Guo, Bangjun; Feng, Yu; Chen, Xiaofan; Li, Bo; Yu, Ke

2018-03-01

Molybdenum disulfide is regarded as one of the most promising electrode materials for high performance lithium-ion batteries. Designing firm basal structure is a key point to fully utilize the high capacity of layered MoS2 nanomaterials. Here, yolk-shell structured MoS2 nanospheres is firstly designed and fabricated to meet this needs. This unique yolk-shell nanospheres are transformed from solid nanospheres by a simply weak alkaline etching method. Then, the yolk-shell MoS2/C is synthesized by a facile process to protect the outside MoS2 shell and promote the conductivity. Taking advantages of high capacity and well-defined cavity space, allowing the core MoS2 to expand freely without breaking the outer shells, yolk-shell MoS2/C nanospheres delivers long cycle life (94% of capacity retained after 200 cycles) and high rate behaviour (830 mA h g-1 at 5 A g-1). This design of yolk-shell structure may set up a new strategy for preparing next generation anode materials for LIBs.

Surface-modified multifunctional MIP nanoparticles

NASA Astrophysics Data System (ADS)

Moczko, Ewa; Poma, Alessandro; Guerreiro, Antonio; Perez de Vargas Sansalvador, Isabel; Caygill, Sarah; Canfarotta, Francesco; Whitcombe, Michael J.; Piletsky, Sergey

2013-04-01

The synthesis of core-shell molecularly imprinted polymer nanoparticles (MIP NPs) has been performed using a novel solid-phase approach on immobilised templates. The same solid phase also acts as a protective functionality for high affinity binding sites during subsequent derivatisation/shell formation. This procedure allows for the rapid synthesis, controlled separation and purification of high-affinity materials, with each production cycle taking just 2 hours. The aim of this approach is to synthesise uniformly sized imprinted materials at the nanoscale which can be readily grafted with various polymers without affecting their affinity and specificity. For demonstration purposes we grafted anti-melamine MIP NPs with coatings which introduce the following surface characteristics: high polarity (PEG methacrylate); electro-activity (vinylferrocene); fluorescence (eosin acrylate); thiol groups (pentaerythritol tetrakis(3-mercaptopropionate)). The method has broad applicability and can be used to produce multifunctional imprinted nanoparticles with potential for further application in the biosensors, diagnostics and biomedical fields and as an alternative to natural receptors.The synthesis of core-shell molecularly imprinted polymer nanoparticles (MIP NPs) has been performed using a novel solid-phase approach on immobilised templates. The same solid phase also acts as a protective functionality for high affinity binding sites during subsequent derivatisation/shell formation. This procedure allows for the rapid synthesis, controlled separation and purification of high-affinity materials, with each production cycle taking just 2 hours. The aim of this approach is to synthesise uniformly sized imprinted materials at the nanoscale which can be readily grafted with various polymers without affecting their affinity and specificity. For demonstration purposes we grafted anti-melamine MIP NPs with coatings which introduce the following surface characteristics: high polarity (PEG methacrylate); electro-activity (vinylferrocene); fluorescence (eosin acrylate); thiol groups (pentaerythritol tetrakis(3-mercaptopropionate)). The method has broad applicability and can be used to produce multifunctional imprinted nanoparticles with potential for further application in the biosensors, diagnostics and biomedical fields and as an alternative to natural receptors. Electronic supplementary information (ESI) available: Details of the synthesis of eosin O-acrylate monomer and 1H-NMR spectrum of MIP NPs post-derivatised with PEG shell. See DOI: 10.1039/c3nr00354j

Synthesis, characterization and evaluation of uniformly sized core-shell imprinted microspheres for the separation trans-resveratrol from giant knotweed

NASA Astrophysics Data System (ADS)

Zhang, Zhaohui; Liu, Li; Li, Hui; Yao, Shouzhuo

2009-09-01

A novel core-shell molecularly imprinting microspheres (MIMs) with trans-resveratrol as the template molecule; acrylamide (AA) as functional monomer and ethylene glycol dimethacrylate (EGDMA) as cross-linker, was prepared based on SiO 2 microspheres with surface imprinting technique. These core-shell trans-resveratrol imprinted microspheres were characterized by infrared spectra (IR), scanning electron microscopy (SEM), thermogravimetric analysis (TGA), and high performance liquid chromatography (HPLC). The results showed that these core-shell imprinted microspheres, which take on perfect spherical shape with average shell thickness of 150 nm, exhibit especially selective recognition for trans-resveratrol. These imprinted microspheres were applied as solid-phase extraction materials for selective extraction of trans-resveratrol from giant knotweed extracting solution successfully.

Measurements and Quasi-Quantum Modeling of the Steric Asymmetry and Parity Propensities in State-to-State Rotationally Inelastic Scattering of NO ( 2Π 1/2) with D 2

DOE PAGES

Taatjes, Craig A.; Gijsbertsen, Arjan; de Lange, Marc J. L.; ...

2007-06-02

In this paper, relative integrated cross sections are measured for spin-orbit-conserving, rotationally inelastic scattering of NO ( 2Π 1/2), hexapole-selected in the upper Λ-doublet level of the ground rotational state (j = 0.5), in collisions with D 2 at a nominal energy of 551 cm -1. The final state of the NO molecule is detected by laser-induced fluorescence (LIF). The state-selected NO molecule is oriented with either the N end or the O end toward the incoming D 2 molecule by application of a static electric field E in the scattering region. This field is directed parallel or antiparallel tomore » the relative velocity vector v. Comparison of signals taken for the different applied field directions gives the experimental steric asymmetry SA, defined by SA = (σ v↑↓E - σ v↑↑E)/(σ v↑↓E + σ v↑↑E), which is equal to within a factor of -1 to the molecular steric effect, S i→f ≡ (σ D2→NO - σ D2→ON)/(σ D2→NO + σ D2→ON). The dependence of the integral inelastic cross section on the incoming Λ-doublet component is also measured as a function of the final rotational (j final) and Λ-doublet (ε final) state. The measured steric asymmetries are similar to those previously observed for NO-He scattering. Spin-orbit manifold-conserving collisions exhibit a larger propensity for parity conservation than their NO-He counterparts. The results are interpreted in the context of the recently developed quasi-quantum treatment (QQT) of rotationally inelastic scattering. The QQT predictions can be inverted to obtain a fitted hard-shell potential that reproduces the experimental steric asymmetry; this fitted potential gives an empirical estimate of the anisotropy of the repulsive interaction between NO and D 2. Finally, QQT computation of the differential cross section using this simple model potential shows reasonable agreement with the measured differential cross sections.« less

Core-shell silicon nanowire solar cells

PubMed Central

Adachi, M. M.; Anantram, M. P.; Karim, K. S.

2013-01-01

Silicon nanowires can enhance broadband optical absorption and reduce radial carrier collection distances in solar cell devices. Arrays of disordered nanowires grown by vapor-liquid-solid method are attractive because they can be grown on low-cost substrates such as glass, and are large area compatible. Here, we experimentally demonstrate that an array of disordered silicon nanowires surrounded by a thin transparent conductive oxide has both low diffuse and specular reflection with total values as low as < 4% over a broad wavelength range of 400 nm < λ < 650 nm. These anti-reflective properties together with enhanced infrared absorption in the core-shell nanowire facilitates enhancement in external quantum efficiency using two different active shell materials: amorphous silicon and nanocrystalline silicon. As a result, the core-shell nanowire device exhibits a short-circuit current enhancement of 15% with an amorphous Si shell and 26% with a nanocrystalline Si shell compared to their corresponding planar devices. PMID:23529071

Conformational and vibrational reassessment of solid paracetamol

NASA Astrophysics Data System (ADS)

Amado, Ana M.; Azevedo, Celeste; Ribeiro-Claro, Paulo J. A.

2017-08-01

This work provides an answer to the urge for a more detailed and accurate knowledge of the vibrational spectrum of the widely used analgesic/antipyretic drug commonly known as paracetamol. A comprehensive spectroscopic analysis - including infrared, Raman, and inelastic neutron scattering (INS) - is combined with a computational approach which takes account for the effects of intermolecular interactions in the solid state. This allows a full reassessment of the vibrational assignments for Paracetamol, thus preventing the propagation of incorrect data analysis and misassignments already found in the literature. In particular, the vibrational modes involving the hydrogen-bonded Nsbnd H and Osbnd H groups are correctly reallocated to bands shifted by up to 300 cm- 1 relatively to previous assignments.

Generic element processor (application to nonlinear analysis)

NASA Technical Reports Server (NTRS)

Stanley, Gary

1989-01-01

The focus here is on one aspect of the Computational Structural Mechanics (CSM) Testbed: finite element technology. The approach involves a Generic Element Processor: a command-driven, database-oriented software shell that facilitates introduction of new elements into the testbed. This shell features an element-independent corotational capability that upgrades linear elements to geometrically nonlinear analysis, and corrects the rigid-body errors that plague many contemporary plate and shell elements. Specific elements that have been implemented in the Testbed via this mechanism include the Assumed Natural-Coordinate Strain (ANS) shell elements, developed with Professor K. C. Park (University of Colorado, Boulder), a new class of curved hybrid shell elements, developed by Dr. David Kang of LPARL (formerly a student of Professor T. Pian), other shell and solid hybrid elements developed by NASA personnel, and recently a repackaged version of the workhorse shell element used in the traditional STAGS nonlinear shell analysis code. The presentation covers: (1) user and developer interfaces to the generic element processor, (2) an explanation of the built-in corotational option, (3) a description of some of the shell-elements currently implemented, and (4) application to sample nonlinear shell postbuckling problems.

Solid Phase Characterization of Tank 241-C-105 Grab Samples

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

Ely, T. M.; LaMothe, M. E.; Lachut, J. S.

The solid phase characterization (SPC) of three grab samples from single-shell Tank 241-C-105 (C-105) that were received at the laboratory the week of October 26, 2015, has been completed. The three samples were received and broken down in the 11A hot cells.

Water resources of the Fort Berthold Indian Reservation, west-central North Dakota

USGS Publications Warehouse

Cates, Steven W.; Macek-Rowland, Kathleen M.

1998-01-01

Water resources of the Fort Berthold Indian Reservation in west-central North Dakota occur as ground water in bedrock and buried-valley aquifers and as surface water in streams and Lake Sakakawea. The bedrock aquifers-the Fox Hills-Hell Creek, Tongue River, and Sentinel Butte store about 93 million acre-feet of water under the Reservation. The Fox Hills-Hell Creek aquifer is composed mainly of very fine to medium-grained sandstone and stores about 51 million acrefeet of water. Water levels in the aquifer declined from 1976 through 1992. The Tongue River aquifer is composed mainly of claystones and siltstones and has widely distributed pockets of sandstone or lignite layers. The aquifer stores about 24 million acre-feet of water. The Sentinel Butte aquifer is composed mainly of interbedded claystones, siltstones, shale, lignite, and sandstone and stores about 18 million acre-feet of water. Yields from the lignite beds are highly variable. Water in the aquifers was predominantly a sodium bicarbonate type. Mean dissolved solids concentrations were 1,530 milligrams per liter in water from the Fox Hills-Hell Creek aquifer, 2,110 milligrams per liter in water from the Tongue River aquifer, and 1,300 milligrams per liter in water from the Sentinel Butte aquifer. The East Fork Shell Creek, Shell Creek, White Shield, New Town, and Sanish aquifers occur within buried valleys and store about 1,414,000 acre-feet of water. The East Fork Shell Creek and Shell Creek aquifers are composed of sand and gravel lenses that are surrounded by less permeable till. Water in the East Fork Shell Creek aquifer is a sodium sulfate bicarbonate type, and water in the Shell Creek aquifer is a sodium bicarbonate sulfate type. Mean dissolved-solids concentrations were 3,220 milligrams per liter in water from the East Fork Shell Creek aquifer and 1,470 milligrams per liter in water from the Shell Creek aquifer.The White Shield aquifer is composed of very fine to coarse sand and fine to coarse gravel. Water in the aquifer varies from a sodium bicarbonate sulfate type to a mixed calcium magnesium sodium bicarbonate sulfate type. Mean dissolved-solids concentrations were 1,080 milligrams per liter in water from the eastern part of the aquifer and 1,430 milligrams per liter in water from the western part of the aquifer. Water levels in the western part of the aquifer rose during 1970-92. The New Town aquifer is composed of lenticular deposits of sand and gravel. Water in the aquifer is a calcium sodium bicarbonate sulfate type and had a mean dissolved-solids concentration of 1,390 milligrams per liter. Data indicate a close correspondence between ground-water levels and lake stage of Lake Sakakawea, implying a hydraulic connection between the aquifer and the lake.The Sanish aquifer is composed of sand, clayey sand, and thin gravels that are poorly cemented and highly permeable. Water in the aquifer is a mixed calcium magnesium bicarbonate sulfate type and had a mean dissolved-solids concentration of 1,350 milligrams per liter.Major streams on the Reservation are Bear Den Creek, Shell Creek, East Fork Shell Creek, Deepwater Creek, Moccasin Creek, and Squaw Creek. Mean streamflow for Bear Den Creek for June 1966 through September 1992 was 6.72 cubic feet per second. Mean streamflow for Shell Creek for September 1965 through September 1981 was 12.9 cubic feet per second. Streamflow measurements for East Fork Shell Creek for April 1990 through June 1991 ranged from zero to 3.65 cubic feet per second, measurements for Deepwater Creek for April 1990 through May 1991 ranged from zero to 4.28 cubic feet per second, measurements for Moccasin Creek for April 1990 through September 1992 ranged from zero to 7.07 cubic feet per second, and measurements for Squaw Creek for April 1990 through September 1992 ranged from zero to 4.22 cubic feet per second. Lake Sakakawea has a maximum surface area of 390,000 acres. The surface area is variable in relation to lake stage, which was unusually low during this study. The mean lake elevation for Lake Sakakawea for 1970-92 was 1,837.08 feet, and the mean lake elevation for 1990-92 was 1,821.14 feet.

Dynamics of confined water reconstructed from inelastic x-ray scattering measurements of bulk response functions

NASA Astrophysics Data System (ADS)

Coridan, Robert H.; Schmidt, Nathan W.; Lai, Ghee Hwee; Abbamonte, Peter; Wong, Gerard C. L.

2012-03-01

Nanoconfined water and surface-structured water impacts a broad range of fields. For water confined between hydrophilic surfaces, measurements and simulations have shown conflicting results ranging from “liquidlike” to “solidlike” behavior, from bulklike water viscosity to viscosity orders of magnitude higher. Here, we investigate how a homogeneous fluid behaves under nanoconfinement using its bulk response function: The Green's function of water extracted from a library of S(q,ω) inelastic x-ray scattering data is used to make femtosecond movies of nanoconfined water. Between two confining surfaces, the structure undergoes drastic changes as a function of surface separation. For surface separations of ≈9 Å, although the surface-associated hydration layers are highly deformed, they are separated by a layer of bulklike water. For separations of ≈6 Å, the two surface-associated hydration layers are forced to reconstruct into a single layer that modulates between localized “frozen’ and delocalized “melted” structures due to interference of density fields. These results potentially reconcile recent conflicting experiments. Importantly, we find a different delocalized wetting regime for nanoconfined water between surfaces with high spatial frequency charge densities, where water is organized into delocalized hydration layers instead of localized hydration shells, and are strongly resistant to `freezing' down to molecular distances (<6 Å).

Black GE based on crystalline/amorphous core/shell nanoneedle arrays

DOEpatents

Javey, Ali; Chueh, Yu-Lun; Fan, Zhiyong

2014-03-04

Direct growth of black Ge on low-temperature substrates, including plastics and rubber is reported. The material is based on highly dense, crystalline/amorphous core/shell Ge nanoneedle arrays with ultrasharp tips (.about.4 nm) enabled by the Ni catalyzed vapor-solid-solid growth process. Ge nanoneedle arrays exhibit remarkable optical properties. Specifically, minimal optical reflectance (<1%) is observed, even for high angles of incidence (.about.75.degree.) and for relatively short nanoneedle lengths (.about.1 .mu.m). Furthermore, the material exhibits high optical absorption efficiency with an effective band gap of .about.1 eV. The reported black Ge can have important practical implications for efficient photovoltaic and photodetector applications on nonconventional substrates.

Calculation of Thermally-Induced Displacements in Spherically Domed Ion Engine Grids

NASA Technical Reports Server (NTRS)

Soulas, George C.

2006-01-01

An analytical method for predicting the thermally-induced normal and tangential displacements of spherically domed ion optics grids under an axisymmetric thermal loading is presented. A fixed edge support that could be thermally expanded is used for this analysis. Equations for the displacements both normal and tangential to the surface of the spherical shell are derived. A simplified equation for the displacement at the center of the spherical dome is also derived. The effects of plate perforation on displacements and stresses are determined by modeling the perforated plate as an equivalent solid plate with modified, or effective, material properties. Analytical model results are compared to the results from a finite element model. For the solid shell, comparisons showed that the analytical model produces results that closely match the finite element model results. The simplified equation for the normal displacement of the spherical dome center is also found to accurately predict this displacement. For the perforated shells, the analytical solution and simplified equation produce accurate results for materials with low thermal expansion coefficients.

Coaxial metal-silicide Ni2Si/C54-TiSi2 nanowires.

PubMed

Chen, Chih-Yen; Lin, Yu-Kai; Hsu, Chia-Wei; Wang, Chiu-Yen; Chueh, Yu-Lun; Chen, Lih-Juann; Lo, Shen-Chuan; Chou, Li-Jen

2012-05-09

One-dimensional metal silicide nanowires are excellent candidates for interconnect and contact materials in future integrated circuits devices. Novel core-shell Ni(2)Si/C54-TiSi(2) nanowires, 2 μm in length, were grown controllably via a solid-liquid-solid growth mechanism. Their interesting ferromagnetic behaviors and excellent electrical properties have been studied in detail. The coercivities (Hcs) of the core-shell Ni(2)Si/C54-TiSi(2) nanowires was determined to be 200 and 50 Oe at 4 and 300 K, respectively, and the resistivity was measured to be as low as 31 μΩ-cm. The shift of the hysteresis loop with the temperature in zero field cooled (ZFC) and field cooled (FC) studies was found. ZFC and FC curves converge near room temperature at 314 K. The favorable ferromagnetic and electrical properties indicate that the unique core-shell nanowires can be used in penetrative ferromagnetic devices at room temperature simultaneously as a future interconnection in integrated circuits.

Strength and deformation of shocked diamond single crystals: Orientation dependence

DOE PAGES

Lang, John Michael Jr.; Winey, J. M.; Gupta, Y. M.

2018-03-01

Understanding and quantifying the strength or elastic limit of diamond single crystals is of considerable scientific and technological importance, and has been a subject of long standing theoretical and experimental interest. To examine the effect of crystalline anisotropy on strength and deformation of shocked diamond single crystals, plate impact experiments were conducted to measure wave profiles at various elastic impact stresses up to ~120 GPa along [110] and [111] crystal orientations. Using laser interferometry, particle velocity histories and shock velocities in the diamond samples were measured and were compared with similar measurements published previously for shock compression along the [100]more » direction. Wave profiles for all three orientations showed large elastic wave amplitudes followed by time-dependent inelastic deformation. From the measured wave profiles, the elastic limits were determined under well characterized uniaxial strain loading conditions. The measured elastic wave amplitudes for the [110] and [111] orientations were lower for higher elastic impact stress (stress attained for an elastic diamond response), consistent with the result reported previously for [100] diamond. The maximum resolved shear stress (MRSS) on the {111}<110> slip systems was determined for each orientation, revealing significant orientation dependence. The MRSS values for the [100] and [110] orientations (~33 GPa) are 25-30% of theoretical estimates; the MRSS value for the [111] orientation is significantly lower (~23 GPa). Our results demonstrate that the MRSS depends strongly on the stress component normal to the {111} planes or the resolved normal stress (RNS), suggesting that the RNS plays a key role in inhibiting the onset of inelastic deformation. Lower elastic wave amplitudes at higher peak stress and the effect of the RNS are inconsistent with typical dislocation slip mechanisms of inelastic deformation, suggesting instead an inelastic response characteristic of shocked brittle solids. The present results show that the elastic limit (or material strength) of diamond single crystals cannot be described using traditional isotropic approaches, and typical plasticity models cannot be used to describe the inelastic deformation of diamond. Analysis of the measured wave profiles beyond the elastic limit, including characterization of the peak state, requires numerical simulations that incorporate a time-dependent, anisotropic, inelastic deformation response. Development of such a material description for diamond is an important need.« less

Strength and deformation of shocked diamond single crystals: Orientation dependence

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

Lang, John Michael Jr.; Winey, J. M.; Gupta, Y. M.

Understanding and quantifying the strength or elastic limit of diamond single crystals is of considerable scientific and technological importance, and has been a subject of long standing theoretical and experimental interest. To examine the effect of crystalline anisotropy on strength and deformation of shocked diamond single crystals, plate impact experiments were conducted to measure wave profiles at various elastic impact stresses up to ~120 GPa along [110] and [111] crystal orientations. Using laser interferometry, particle velocity histories and shock velocities in the diamond samples were measured and were compared with similar measurements published previously for shock compression along the [100]more » direction. Wave profiles for all three orientations showed large elastic wave amplitudes followed by time-dependent inelastic deformation. From the measured wave profiles, the elastic limits were determined under well characterized uniaxial strain loading conditions. The measured elastic wave amplitudes for the [110] and [111] orientations were lower for higher elastic impact stress (stress attained for an elastic diamond response), consistent with the result reported previously for [100] diamond. The maximum resolved shear stress (MRSS) on the {111}<110> slip systems was determined for each orientation, revealing significant orientation dependence. The MRSS values for the [100] and [110] orientations (~33 GPa) are 25-30% of theoretical estimates; the MRSS value for the [111] orientation is significantly lower (~23 GPa). Our results demonstrate that the MRSS depends strongly on the stress component normal to the {111} planes or the resolved normal stress (RNS), suggesting that the RNS plays a key role in inhibiting the onset of inelastic deformation. Lower elastic wave amplitudes at higher peak stress and the effect of the RNS are inconsistent with typical dislocation slip mechanisms of inelastic deformation, suggesting instead an inelastic response characteristic of shocked brittle solids. The present results show that the elastic limit (or material strength) of diamond single crystals cannot be described using traditional isotropic approaches, and typical plasticity models cannot be used to describe the inelastic deformation of diamond. Analysis of the measured wave profiles beyond the elastic limit, including characterization of the peak state, requires numerical simulations that incorporate a time-dependent, anisotropic, inelastic deformation response. Development of such a material description for diamond is an important need.« less

Strength and deformation of shocked diamond single crystals: Orientation dependence

NASA Astrophysics Data System (ADS)

Lang, J. M.; Winey, J. M.; Gupta, Y. M.

2018-03-01

Understanding and quantifying the strength or elastic limit of diamond single crystals is of considerable scientific and technological importance, and has been a subject of long standing theoretical and experimental interest. To examine the effect of crystalline anisotropy on strength and deformation of shocked diamond single crystals, plate impact experiments were conducted to measure wave profiles at various elastic impact stresses up to ˜120 GPa along [110] and [111] crystal orientations. Using laser interferometry, particle velocity histories and shock velocities in the diamond samples were measured and were compared with similar measurements published previously for shock compression along the [100] direction. Wave profiles for all three orientations showed large elastic wave amplitudes followed by time-dependent inelastic deformation. From the measured wave profiles, the elastic limits were determined under well characterized uniaxial strain loading conditions. The measured elastic wave amplitudes for the [110] and [111] orientations were lower for higher elastic impact stress (stress attained for an elastic diamond response), consistent with the result reported previously for [100] diamond. The maximum resolved shear stress (MRSS) on the {111}⟨110⟩ slip systems was determined for each orientation, revealing significant orientation dependence. The MRSS values for the [100] and [110] orientations (˜33 GPa) are 25%-30% of theoretical estimates; the MRSS value for the [111] orientation is significantly lower (˜23 GPa). Our results demonstrate that the MRSS depends strongly on the stress component normal to the {111} planes or the resolved normal stress (RNS), suggesting that the RNS plays a key role in inhibiting the onset of inelastic deformation. Lower elastic wave amplitudes at higher peak stress and the effect of the RNS are inconsistent with typical dislocation slip mechanisms of inelastic deformation, suggesting instead an inelastic response characteristic of shocked brittle solids. The present results show that the elastic limit (or material strength) of diamond single crystals cannot be described using traditional isotropic approaches, and typical plasticity models cannot be used to describe the inelastic deformation of diamond. Analysis of the measured wave profiles beyond the elastic limit, including characterization of the peak state, requires numerical simulations that incorporate a time-dependent, anisotropic, inelastic deformation response. Development of such a material description for diamond is an important need.

Design of Aerosol Coating Reactors: Precursor Injection

PubMed Central

Buesser, Beat; Pratsinis, Sotiris E.

2013-01-01

Particles are coated with thin shells to facilitate their processing and incorporation into liquid or solid matrixes without altering core particle properties (coloristic, magnetic, etc.). Here, computational fluid and particle dynamics are combined to investigate the geometry of an aerosol reactor for continuous coating of freshly-made titanium dioxide core nanoparticles with nanothin silica shells by injection of hexamethyldisiloxane (HMDSO) vapor downstream of TiO2 particle formation. The focus is on the influence of HMDSO vapor jet number and direction in terms of azimuth and inclination jet angles on process temperature and coated particle characteristics (shell thickness and fraction of uncoated particles). Rapid and homogeneous mixing of core particle aerosol and coating precursor vapor facilitates synthesis of core-shell nanoparticles with uniform shell thickness and high coating efficiency (minimal uncoated core and free coating particles). PMID:23658471

Electron-deuteron DIS with spectator tagging at EIC: Development of theoretical framework

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

Cosyn, Wim B.; Guzey, Vadim A.; Sargsian, Misak M.

2016-03-01

An Electron-Ion Collider (EIC) would enable next-generation measurements of deep-inelastic scattering (DIS) on the deuteron with detection of a forward-moving nucleon (p, n) and measurement of its recoil momentum ("spectator tagging''). Such experiments offer full control of the nuclear configuration during the high-energy process and can be used for precision studies of the neutron's partonic structure and its spin dependence, nuclear modifications of partonic structure, and nuclear shadowing at small x. We review the theoretical description of spectator tagging at EIC energies (light-front nuclear structure, on-shell extrapolation in the recoil nucleon momentum, final-state interactions, diffractive effects at small x) andmore » report about on-going developments.« less

Direct Evidence for Solid-like Hydrogen in a Nanoporous Carbon Hydrogen Storage Material at Supercritical Temperatures

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

Ting, Valeska P.; Ramirez-Cuesta, Anibal J.; Bimbo, Nuno

Here in this paper we report direct physical evidence that confinement of molecular hydrogen (H 2) in an optimized nanoporous carbon results in accumulation of hydrogen with characteristics commensurate with solid H 2 at temperatures up to 67 K above the liquid vapor critical temperature of bulk H 2. This extreme densification is attributed to confinement of 112 molecules in the optimally sized micropores, and occurs at pressures as low as 0.02 MPa. The quantities of contained, solid-like H 2 increased with pressure and were directly evaluated using in situ inelastic neutron scattering and confirmed by analysis of gas sorptionmore » isotherms. The demonstration of the existence of solid-like H 2 challenges the existing assumption that supercritical hydrogen confined in nanopores has an upper limit of liquid H 2 density. Thus, this insight offers opportunities for the development of more accurate models for the evaluation and design of nanoporous materials for high capacity adsorptive hydrogen storage.« less

Direct Evidence for Solid-like Hydrogen in a Nanoporous Carbon Hydrogen Storage Material at Supercritical Temperatures

DOE PAGES

Ting, Valeska P.; Ramirez-Cuesta, Anibal J.; Bimbo, Nuno; ...

2015-07-14

Here in this paper we report direct physical evidence that confinement of molecular hydrogen (H 2) in an optimized nanoporous carbon results in accumulation of hydrogen with characteristics commensurate with solid H 2 at temperatures up to 67 K above the liquid vapor critical temperature of bulk H 2. This extreme densification is attributed to confinement of 112 molecules in the optimally sized micropores, and occurs at pressures as low as 0.02 MPa. The quantities of contained, solid-like H 2 increased with pressure and were directly evaluated using in situ inelastic neutron scattering and confirmed by analysis of gas sorptionmore » isotherms. The demonstration of the existence of solid-like H 2 challenges the existing assumption that supercritical hydrogen confined in nanopores has an upper limit of liquid H 2 density. Thus, this insight offers opportunities for the development of more accurate models for the evaluation and design of nanoporous materials for high capacity adsorptive hydrogen storage.« less

Inelastic Deformation and Fracture of Glassy Solids

DTIC Science & Technology

1991-05-31

systems . The results of these simulations are best discussed in the context of the deformation studies for which they have been developed. Therefore, we...11.4.3 below this, can be viewed either as a system with a distribution of relaxation times, obeying conventional Arrhernius kinetics or a process that...the case by Argon and Shi (1982) in the soap bubble rafts) which results in the build-up of a system pressure when the deformation is performed at

[Kinetic theory and boundary conditions for highly inelastic spheres]. Quarterly progress report, April 1, 1993--June 30, 1993

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

Richman, M.

1993-12-31

In this quarter, a kinetic theory was employed to set up the boundary value problem for steady, fully developed, gravity-driven flows of identical, smooth, highly inelastic spheres down bumpy inclines. The solid fraction, mean velocity, and components of the full second moment of fluctuation velocity were treated as mean fields. In addition to the balance equations for mass and momentum, the balance of the full second moment of fluctuation velocity was treated as an equation that must be satisfied by the mean fields. However, in order to simplify the resulting boundary value problem, fluxes of second moments in its isotropicmore » piece only were retained. The constitutive relations for the stresses and collisional source of second moment depend explicitly on the second moment of fluctuation velocity, and the constitutive relation for the energy flux depends on gradients of granular temperature, solid fraction, and components of the second moment. The boundary conditions require that the flows are free of stress and energy flux at their tops, and that momentum and energy are balanced at the bumpy base. The details of the boundary value problem are provided. In the next quarter, a solution procedure will be developed, and it will be employed to obtain sample numerical solutions to the boundary value problem described here.« less

Investigations of the Interactions of Radiation with Matter.

DTIC Science & Technology

1986-07-31

Process in Atoms, Molecules and Solids, eds. A. Mei-el and J. Finster , (Karl-Marx Universitat, Leipzig, 1984), p. 58. 10. S.T. Manson in High Enery Ion...H. Toburen, and S. T. Manson in X-Ra and Inner-Shell Process in Atoms, Molecules and Solids, eds. A. Meisel and J. Finster , (Karl-Marx- Universitat

Direct correlations of structural and optical properties of three-dimensional GaN/InGaN core/shell micro-light emitting diodes

NASA Astrophysics Data System (ADS)

Sadat Mohajerani, Matin; Müller, Marcus; Hartmann, Jana; Zhou, Hao; Wehmann, Hergo-H.; Veit, Peter; Bertram, Frank; Christen, Jürgen; Waag, Andreas

2016-05-01

Three-dimensional (3D) InGaN/GaN quantum-well (QW) core-shell light emitting diodes (LEDs) are a promising candidate for the future solid state lighting. In this contribution, we study direct correlations of structural and optical properties of the core-shell LEDs using highly spatially-resolved cathodoluminescence spectroscopy (CL) in combination with scanning electron microscopy (SEM) and scanning transmission electron microscopy (STEM). Temperature-dependent resonant photoluminescence (PL) spectroscopy has been performed to understand recombination mechanisms and to estimate the internal quantum efficiency (IQE).

Target Z dependence of Xe L x-ray emission in heavy ion-atom collision near the Bohr velocity: influence of level matching

NASA Astrophysics Data System (ADS)

Ren, Jieru; Zhao, Yongtao; Zhou, Xianming; Cheng, Rui; Lei, Yu; Sun, Yuanbo; Wang, Xing; Xu, Ge; Wang, Yuyu; Liu, Shidong; Yu, Yang; Li, Yongfeng; Zhang, Xiaoan; Xu, Zhongfeng; Xiao, Guoqing

2013-09-01

X-ray yields for the projectile L-shell have been measured for collisions between Xe20+ and thick solid targets throughout the periodic table with incident energies near the Bohr velocity. The yields show a very pronounced cyclic dependence on the target atomic number. This result indicates that Xe L x-ray emission intensity is greatly enhanced either in near-symmetric collisions or if the binding energy of the Xe M-shell matches the L- or N-shell binding energy of the target.

Growth and optical investigations of high quality individual CdTe/(Cd,Mg)Te core/shell nanowires.

PubMed

Wojnar, P; Płachta, J; Kret, S; Kaleta, A; Zaleszczyk, W; Szymura, M; Wiater, M; Baczewski, L T; Pietruczik, A; Karczewski, G; Wojtowicz, T; Kossut, J

2017-01-27

CdTe nanowires with the average diameter of only 40 nm coated with (Cd,Mg)Te shells are grown using Au-catalyzed vapor-liquid-solid growth mechanism in a system for molecular beam epitaxy. High optical quality of individual nanowires is revealed by means of low temperature cathodoluminescence and micro-luminescence. It is found that, the optical emission spectrum consists mostly of the near band edge emission without any significant contribution of defect related luminescence. Moreover, the importance of surface passivation with (Cd,Mg)Te coating shells is demonstrated.

Electronic Structure of CO2 at High Pressure

NASA Astrophysics Data System (ADS)

Shieh, S. R.; Jarrige, I.; Hiraoka, N.; Cai, Y.

2009-12-01

Carbon dioxide (CO2) is one of the important planetary materials that can be found in the Venus, Earth and Mars. Therefore, the behavior of CO2 under different pressure and temperature conditions is of great importance for understanding the evolution of these planets. Recent studies showed that there are six solid phases and one amorphous phase of CO2 found at various pressure and temperature conditions. This indicates that CO2 may exhibit different forms within planetary interiors. To better understand the behavior of CO2 polymorphs and their interactions with other materials it is necessary to study the electronic structures of CO2 polymorphs. Here we report the electronic structures of CO2-I and -III at high pressure and room temperature. The high-pressure inelastic scattering measurements of CO2 were conducted at beamline 12XU, SPring-8. A monochromatic beam with incident energy about 10 KeV was focused by a pair of KB mirrors to a size of 20 by 30 μm2. The inelastic x-ray scattering photons were collected at about 35 degrees and a solid state Si detector with resolution of about 1.4eV was used. Each spectrum was collected for 8-20 hours. Our results show that a strong pi bond, together with weak sigma bonds of oxygen K-edge were observed in CO2-I and -III phase. For the carbon K-edge of CO2-I, only a single pi bond was observed. This suggests that the molecular solid phase of CO2-I exhibits a gas-like phase instead of a crystal-like phase. Similar results were also observed form CO2-III.

Tuning the synthesis of platinum-copper nanoparticles with a hollow core and porous shell for the selective hydrogenation of furfural to furfuryl alcohol.

PubMed

Huang, Shuangshuang; Yang, Nating; Wang, Shibin; Sun, Yuhan; Zhu, Yan

2016-08-07

Pt-Cu nanoparticles constructed with a hollow core and porous shell have been synthesized in which Pt-Cu cages with multiporous outermost shells are formed at the initial stage and then the Pt and Cu atoms in solution continuously fed these hollow-core of cages by passing through the porous tunnels of the outermost shells, finally leading to the formation of hollow structures with different sizes. Furthermore, these hollow-core Pt-Cu nanoparticles are more effective than the solid-core Pt-Cu nanoparticles for the catalytic hydrogenation of furfural toward furfuryl alcohol. The former can achieve almost 100% conversion of furfural with 100% selectivity toward the alcohol.

Coercivity and Exchange Bias Study of Polycrystalline Hollow Nanoparticles

NASA Astrophysics Data System (ADS)

Bah, Mohamed Alpha

Magnetic nanoparticles (NPs) have the potential to be useful in a variety of applications such as biomedical instruments, catalysis, sensing, recording information, etc. These nanoparticles exhibit remarkably different properties compared to their bulk counter parts. Synthesis of magnetic NPs with the right morphology, phase, size and surface functionality, as well as their usage for specific applications are challenging in terms of efficiency and safety. Morphology wise, there have been numerous reports on magnetic nanoparticles where morphologies such as core/shell, hollow, solid, etc., have been explored. It has been shown that morphology affects the magnetic response. Achieving the right crystal structure with required morphology and the magnetic behavior of the nanoparticle phases determines the magnetic response of the structure. For example, in the case of core/shell NPs various ferromagnetic (FM), ferrimagnetic (FiM), and antiferromagnetic (AFM) core and shell combinations have been reported. In these cases, interesting and strikingly different features, such as unusually high spin glass transition temperature, large exchange bias, finite size effects, magnetic proximity effects, unusual trend of blocking temperature as function of average crystal size, etc., have been reported. More specifically, the morphology of core/shell nanoparticles provides added degrees of freedom compared to conventional solid magnetic nanoparticles, including variations in the size, phase and material of the core and shell of the particle, etc. which helps enhance their magnetic properties. Similar to traditional core/shell nanoparticles, inverted core/shell having a FiM or FM order above the Curie temperature (TC) of the shell has been reported where the Neel temperature (TN) is comparable with the bulk value and there is nonmonotonic dependence of the coercive field (HC) and exchange bias (HEB) on the core diameter. In addition to the core/shell morphology, nanoparticles with hollow morphology are also of interest to the scientific community. For such cases, surface spin glass transition enhancements have been reported due to the presence of the additional inner surface. CoFe2O4, NiFe 2O4 and gamma-Fe2O3 hollow nanoparticles exhibit strikingly contrasting magnetic behavior compared to bulk and conventional solid particles; similar behavior was also observed in core/shell nanoparticles. Structurally, hollow polycrystalline nanoparticles are composed of multiple crystallographic domains. This random orientation of the crystallographic domains also causes randomization of the local anisotropy axes. Hence the overall effect of this morphology on the magnetic properties is exhibited through the high coercivity, relatively high temperature magnetic irreversibility, lack of magnetic saturation, high blocking temperature, etc. Over the years, extensive work on core/shell nanoparticles have been carried out to understand their exchange bias phenomenon and the effect on coercivity. Recently, focus has been given to hollow polycrystalline nanoparticles for the reason mentioned above. This thesis investigates the root cause for the above-mentioned effects on the coercivity and exchange bias. Since hollow nanoparticles with polycrystalline structure have shown to exhibit different and improved magnetic behavior compared to bulk and other conventional solid particles, they will be the focus of our investigation. First, extensive field and temperature dependent magnetic study on polycrystalline hollow nickel ferrite (NiFe2O4) have revealed the effect of the presence of inner surface in a single oxide nanoparticle. Second, the effect of having multiple oxides with different magnetic properties (i.e. FM and AFM) in a single nanoparticle, while maintaining a hollow morphology was investigated by studying polycrystalline hollow gamma-Mn2O3 and MnO nanoparticles. Studies on various conventional solid manganese oxide nanoparticles have already been reported. Therefore, focus was only made on the fabrication and magnetic study of hollow polycrystalline manganese oxide, with a comparison of the results to those from solid nanoparticles already available in literature. A conclusion was drawn to the importance of the coupling of different magnetic phases (i.e. FM and AFM, FiM and AFM, or SG and AFM), in contrast to just having one single oxide in the hollow nanoparticles. Finally, the importance of this coupling as compared to the increase of surface-to-volume ratio was evaluated in CoO/Co3O4/CoFe2O4 polycrystalline hollow nanoparticles by varying the AFM phase (CoO/Co 3O4) in the nanoparticles and observing how the magnetic properties varied. This system helped address the effect of the coupling between different magnetic phases, super-exchange interaction, and proximity effect.

Polymer-encapsulated carbon capture liquids that tolerate precipitation of solids for increased capacity

DOEpatents

Aines, Roger D; Bourcier, William L; Spadaccini, Christopher M; Stolaroff, Joshuah K

2015-02-03

A system for carbon dioxide capture from flue gas and other industrial gas sources utilizes microcapsules with very thin polymer shells. The contents of the microcapsules can be liquids or mixtures of liquids and solids. The microcapsules are exposed to the flue gas and other industrial gas and take up carbon dioxide from the flue gas and other industrial gas and eventual precipitate solids in the capsule.

Free-Standing and Self-Crosslinkable Hybrid Films by Core-Shell Particle Design and Processing.

PubMed

Vowinkel, Steffen; Paul, Stephen; Gutmann, Torsten; Gallei, Markus

2017-11-15

The utilization and preparation of functional hybrid films for optical sensing applications and membranes is of utmost importance. In this work, we report the convenient and scalable preparation of self-crosslinking particle-based films derived by directed self-assembly of alkoxysilane-based cross-linkers as part of a core-shell particle architecture. The synthesis of well-designed monodisperse core-shell particles by emulsion polymerization is the basic prerequisite for subsequent particle processing via the melt-shear organization technique. In more detail, the core particles consist of polystyrene (PS) or poly(methyl methacrylate) (PMMA), while the comparably soft particle shell consists of poly(ethyl acrylate) (PEA) and different alkoxysilane-based poly(methacrylate)s. For hybrid film formation and convenient self-cross-linking, different alkyl groups at the siloxane moieties were investigated in detail by solid-state Magic-Angle Spinning Nuclear Magnetic Resonance (MAS, NMR) spectroscopy revealing different crosslinking capabilities, which strongly influence the properties of the core or shell particle films with respect to transparency and iridescent reflection colors. Furthermore, solid-state NMR spectroscopy and investigation of the thermal properties by differential scanning calorimetry (DSC) measurements allow for insights into the cross-linking capabilities prior to and after synthesis, as well as after the thermally and pressure-induced processing steps. Subsequently, free-standing and self-crosslinked particle-based films featuring excellent particle order are obtained by application of the melt-shear organization technique, as shown by microscopy (TEM, SEM).

High performance of SDC and GDC core shell type composite electrolytes using methane as a fuel for low temperature SOFC

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

Irshad, Muneeb; Siraj, Khurram, E-mail: razahussaini786@gmail.com, E-mail: khurram.uet@gmail.com; Javed, Fayyaz

Nanocomposites Samarium doped Ceria (SDC), Gadolinium doped Ceria (GDC), core shell SDC amorphous Na{sub 2}CO{sub 3} (SDCC) and GDC amorphous Na{sub 2}CO{sub 3} (GDCC) were synthesized using co-precipitation method and then compared to obtain better solid oxide electrolytes materials for low temperature Solid Oxide Fuel Cell (SOFCs). The comparison is done in terms of structure, crystallanity, thermal stability, conductivity and cell performance. In present work, XRD analysis confirmed proper doping of Sm and Gd in both single phase (SDC, GDC) and dual phase core shell (SDCC, GDCC) electrolyte materials. EDX analysis validated the presence of Sm and Gd in bothmore » single and dual phase electrolyte materials; also confirming the presence of amorphous Na{sub 2}CO{sub 3} in SDCC and GDCC. From TGA analysis a steep weight loss is observed in case of SDCC and GDCC when temperature rises above 725 °C while SDC and GDC do not show any loss. The ionic conductivity and cell performance of single phase SDC and GDC nanocomposite were compared with core shell GDC/amorphous Na{sub 2}CO{sub 3} and SDC/ amorphous Na{sub 2}CO{sub 3} nanocomposites using methane fuel. It is observed that dual phase core shell electrolytes materials (SDCC, GDCC) show better performance in low temperature range than their corresponding single phase electrolyte materials (SDC, GDC) with methane fuel.« less

Electromagnon dispersion probed by inelastic X-ray scattering in LiCrO2

PubMed Central

Tóth, Sándor; Wehinger, Björn; Rolfs, Katharina; Birol, Turan; Stuhr, Uwe; Takatsu, Hiroshi; Kimura, Kenta; Kimura, Tsuyoshi; Rønnow, Henrik M.; Rüegg, Christian

2016-01-01

Inelastic X-ray scattering with meV energy resolution (IXS) is an ideal tool to measure collective excitations in solids and liquids. In non-resonant scattering condition, the cross-section is strongly dominated by lattice vibrations (phonons). However, it is possible to probe additional degrees of freedom such as magnetic fluctuations that are strongly coupled to the phonons. The IXS spectrum of the coupled system contains not only the phonon dispersion but also the so far undetected magnetic correlation function. Here we report the observation of strong magnon–phonon coupling in LiCrO2 that enables the measurement of magnetic correlations throughout the Brillouin zone via IXS. We find electromagnon excitations and electric dipole active two-magnon excitations in the magnetically ordered phase and heavily damped electromagnons in the paramagnetic phase of LiCrO2. We predict that several (frustrated) magnets with dominant direct exchange and non-collinear magnetism show surprisingly large IXS cross-section for magnons and multi-magnon processes. PMID:27882928

Dense Suspension Splash

NASA Astrophysics Data System (ADS)

Zhang, Wendy; Dodge, Kevin M.; Peters, Ivo R.; Ellowitz, Jake; Klein Schaarsberg, Martin H.; Jaeger, Heinrich M.

2014-03-01

Upon impact onto a solid surface at several meters-per-second, a dense suspension plug splashes by ejecting liquid-coated particles. We study the mechanism for splash formation using experiments and a numerical model. In the model, the dense suspension is idealized as a collection of cohesionless, rigid grains with finite surface roughness. The grains also experience lubrication drag as they approach, collide inelastically and rebound away from each other. Simulations using this model reproduce the measured momentum distribution of ejected particles. They also provide direct evidence supporting the conclusion from earlier experiments that inelastic collisions, rather than viscous drag, dominate when the suspension contains macroscopic particles immersed in a low-viscosity solvent such as water. Finally, the simulations reveal two distinct routes for splash formation: a particle can be ejected by a single high momentum-change collision. More surprisingly, a succession of small momentum-change collisions can accumulate to eject a particle outwards. Supported by NSF through its MRSEC program (DMR-0820054) and fluid dynamics program (CBET-1336489).

A Model for Predicting Grain Boundary Cracking in Polycrystalline Viscoplastic Materials Including Scale Effects

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

Allen, D.H.; Helms, K.L.E.; Hurtado, L.D.

1999-04-06

A model is developed herein for predicting the mechanical response of inelastic crystalline solids. Particular emphasis is given to the development of microstructural damage along grain boundaries, and the interaction of this damage with intragranular inelasticity caused by dislocation dissipation mechanisms. The model is developed within the concepts of continuum mechanics, with special emphasis on the development of internal boundaries in the continuum by utilizing a cohesive zone model based on fracture mechanics. In addition, the crystalline grains are assumed to be characterized by nonlinear viscoplastic mechanical material behavior in order to account for dislocation generation and migration. Due tomore » the nonlinearities introduced by the crack growth and viscoplastic constitution, a numerical algorithm is utilized to solve representative problems. Implementation of the model to a finite element computational algorithm is therefore briefly described. Finally, sample calculations are presented for a polycrystalline titanium alloy with particular focus on effects of scale on the predicted response.« less

Modeling of porosity loss during compaction and cementation of sandstones

NASA Astrophysics Data System (ADS)

Lemée, Claire; Guéguen, Yves

1996-10-01

Irreversible inelastic processes are responsible for mechanical and chemical compaction of sedimentary rocks at the time of burying. Our purpose is to describe the inelastic response of the rock at large time scales. In order to do this, we build a model that describes how porosity progressively decreases at depth. We use a previous geometrical model for the compaction process of a sandstone by grain interpenetration that is restricted to the case of mass conservation. In addition, we introduce a compaction equilibrium concept. Solid grains can support stresses up to a critical effective stress, σc, before plastic flow occurs. This critical stress depends on temperature and is derived from the pressure-solution deformation law. Pressure solution is the plastic deformation mechanism implemented during compaction. Our model predicts a porosity destruction at a depth of about 3 km. This model has the property to define a range of compaction curves. We investigate the sensitivity of the model to the main input parameters: liquid film thickness, grain size, temperature gradient, and activation energy.

Fabrication of iron (III) oxide doped polystyrene shells

NASA Astrophysics Data System (ADS)

Cai, Pei-Jun; Tang, Yong-Jian; Zhang, Lin; Du, Kai; Feng, Chang-Gen

2004-03-01

A type of iron (III) oxide doped plastic shell used for inertial confinement fusion experiments has been fabricated by emulsion techniques. Three different phases of solution (W1, O, and W2) are used for the fabrication process. The W1 phase is a 1 wt % of sodium lauryl sulfate in water. This W1 phase solution is mixed with a 3 wt % Fe2O3-polystyrene (PS) solution in benzene-dichloroethane (O phase) while stirring. The resulting emulsion (W1/O) is poured into a 3 wt % aqueous polyvinyl alcohol solution (W2 phase) while stirring. The resulting emulsion (W1/O/W2) is then heated to evaporate benzene and dichloroethane, and thus a solid Fe2O3-PS shell is formed. The diameter and wall thickness of the shells range from 150 to 500 μm and 5 to 15 μm, respectively. The average surface roughness of the shells is 40 nm, similar to that of the usual PS shells. .

Camellia oleifera shell as an alternative feedstock for furfural production using a high surface acidity solid acid catalyst.

PubMed

Zhang, Luxin; He, Yunfei; Zhu, Yujie; Liu, Yuting; Wang, Xiaochang

2018-02-01

This paper focuses on the high-value transformation of camellia oleifera shell, which is an agricultural waste enriched in hemicellulose. An efficient catalytic route employing sulfonated swelling mesoporous polydivinylbenzene (PDVB-SO 3 H) as catalyst in monophasic or biphasic solvents was developed for the conversion of raw camellia oleifera shell into furfural. The reaction parameters were evaluated and optimized for improving the furfural yield. It was found that the solvent greatly influenced the hydrolysis of camellia oleifera shells, and the highest furfural yield of 61.3% was obtained in "γ-butyrolactone + water" system when the feedstock-to-catalyst ratio was 2 for 30 min at 443 K. Camellia oleifera shell exhibited a high potential as feedstock to produce furfural in high yields. The outcome of this study provides an attractive utilization option to camellia oleifera shell, which is currently burned or discarded for producing a bio-based chemical. Copyright © 2017 Elsevier Ltd. All rights reserved.

Colloidal Spherical Quantum Wells with Near-Unity Photoluminescence Quantum Yield and Suppressed Blinking.

PubMed

Jeong, Byeong Guk; Park, Young-Shin; Chang, Jun Hyuk; Cho, Ikjun; Kim, Jai Kyeong; Kim, Heesuk; Char, Kookheon; Cho, Jinhan; Klimov, Victor I; Park, Philip; Lee, Doh C; Bae, Wan Ki

2016-10-02

Thick inorganic shell endows colloidal nanocrystals (NCs) with enhanced photochemical stability and suppression of photoluminescence intermittency (also known as blinking). However, the progress of using thick-shell heterostructure NCs in applications has been limited, due to low photoluminescence quantum yield (PL QY  60%) at room temperature. Here, we demonstrate thick-shell NCs with CdS/CdSe/CdS seed/spherical quantum well/shell (SQW) geometry that exhibit near-unity PL QY at room temperature and suppression of blinking. In SQW NCs, the lattice mismatch is diminished between the emissive CdSe layer and the surrounding CdS layers as a result of coherent strain, which suppresses the formation of misfit defects and consequently permits ~ 100% PL QY for SQW NCs with thick CdS shell (≥ 5 nm). High PL QY of thick-shell SQW NCs are preserved even in concentrated dispersion and in film under thermal stress, which makes them promising candidates for applications in solid-state lightings and luminescent solar concentrators.

Room Temperature Curing Polymers

DTIC Science & Technology

1977-05-01

diglycidyl esters are low melting solids, they are easily purified by recrystallization . Both diglycidyl adipate and sebacate were prepared in 88...aromatic amine Shell Z (a eutectic mixture of methylene dianiline and m-phenylene- diamine). The Shell Z cured resins had apparent Tg’s near...cooled to 0oC. The white crystals which formed were recrystallized three times from methanol-water (9:1) to yield 248 g (88%) EEW = 125 (Theory 115

Blended Isogeometric Shells

DTIC Science & Technology

2012-08-01

biomechanical modeling (e.g. arteries). It is also possible to go still fur- ther with the concept and blend shell theories with continuum solid theories in the...spirit of transition elements. Again biomechanical modeling opportunities present themselves, such as for heart-artery models . We also note that all...these blended theories can be developed within the IGA format of exact CAD modeling . The blended formulation presented here is valid for a broad class

Fermi energy dependence of the optical emission in core/shell InAs nanowire homostructures

NASA Astrophysics Data System (ADS)

Möller, M.; Oliveira, D. S.; Sahoo, P. K.; Cotta, M. A.; Iikawa, F.; Motisuke, P.; Molina-Sánchez, A.; de Lima, M. M., Jr.; García-Cristóbal, A.; Cantarero, A.

2017-07-01

InAs nanowires grown by vapor-liquid-solid (VLS) method are investigated by photoluminescence. We observe that the Fermi energy of all samples is reduced by ˜20 meV when the size of the Au nanoparticle used for catalysis is increased from 5 to 20 nm. Additional capping with a thin InP shell enhances the optical emission and does not affect the Fermi energy. The unexpected behavior of the Fermi energy is attributed to the differences in the residual donor (likely carbon) incorporation in the axial (low) and lateral (high incorporation) growth in the VLS and vapor-solid (VS) methods, respectively. The different impurity incorporation rate in these two regions leads to a core/shell InAs homostructure. In this case, the minority carriers (holes) diffuse to the core due to the built-in electric field created by the radial impurity distribution. As a result, the optical emission is dominated by the core region rather than by the more heavily doped InAs shell. Thus, the photoluminescence spectra and the Fermi energy become sensitive to the core diameter. These results are corroborated by a theoretical model using a self-consistent method to calculate the radial carrier distribution and Fermi energy for distinct diameters of Au nanoparticles.

Role of the kinematics of probing electrons in electron energy-loss spectroscopy of solid surfaces

NASA Astrophysics Data System (ADS)

Nazarov, V. U.; Silkin, V. M.; Krasovskii, E. E.

2016-01-01

Inelastic scattering of electrons incident on a solid surface is determined by two properties: (i) electronic response of the target system and (ii) the detailed quantum-mechanical motion of the projectile electron inside and in the vicinity of the target. We emphasize the equal importance of the second ingredient, pointing out the fundamental limitations of the conventionally used theoretical description of the electron energy-loss spectroscopy (EELS) in terms of the "energy-loss functions." Our approach encompasses the dipole and impact scattering as specific cases, with the emphasis on the quantum-mechanical treatment of the probe electron. Applied to the high-resolution EELS of Ag surface, our theory largely agrees with recent experiments, while some instructive exceptions are rationalized.

Interferometric measurement of displacements and displacement velocities for nondestructive quality control

NASA Astrophysics Data System (ADS)

Shpeĭzman, V. V.; Peschanskaya, N. N.

2007-07-01

It is shown that the interferometric measurement of small displacements and small-displacement velocities can be used to determine internal stresses or the stresses induced by an applied load in solids and to control structural changes in them. The interferometric method based on the measurement of the reaction of a solid to a small perturbation in its state of stress is applied to determine stresses from the deviation of the reaction to perturbations from that in the standard stress-free case. For structural control, this method is employed to study the specific features of the characteristics of microplastic deformation that appear after material treatment or operation and manifest themselves in the temperature and force dependences of the rate of a small inelastic strain.

Influence of heat treatment on hole transfer dynamics in core-shell quantum dot/organic hole conductor hybrid films

NASA Astrophysics Data System (ADS)

Sun, Mingye; Zheng, Youjin; Zhang, Lei; Zhao, Liping; Zhang, Bing

2017-08-01

The influence of heat treatment on hole transfer (HT) processes from the CdSe/ZnS and CdSe/CdS/ZnS quantum dots (QDs) to 4,4‧,4″-Tris(carbazol-9-yl)-triphenylamine (TCTA) in QD/TCTA hybrid films has been researched with time-resolved photoluminescence (PL) spectroscopy. The PL dynamic results demonstrated a heat-treatment-temperature-dependent HT process from the core-shell CdSe QDs to TCTA. The HT rates and efficiencies can be effectively increased due to reduced distance between core-shell CdSe QDs and TCTA after heat treatment. The CdS shell exhibited a more obvious effect on HT from the core-shell CdSe QDs to TCTA than on electron transfer to TiO2, due to higher barrier for holes to tunnel through CdS shell and larger effective mass of holes in CdS than electrons. These results indicate that heat treatment would be an effective means to further optimize solid-state QD sensitized solar cells and rational design of CdS shell is significant.

Coherently Strained Si-SixGe1-x Core-Shell Nanowire Heterostructures.

PubMed

Dillen, David C; Wen, Feng; Kim, Kyounghwan; Tutuc, Emanuel

2016-01-13

Coherently strained Si-SixGe1-x core-shell nanowire heterostructures are expected to possess a positive shell-to-core conduction band offset, allowing for quantum confinement of electrons in the Si core. We report the growth of epitaxial, coherently strained Si-SixGe1-x core-shell heterostructures through the vapor-liquid-solid mechanism for the Si core, followed in situ by the epitaxial SixGe1-x shell growth using ultrahigh vacuum chemical vapor deposition. The Raman spectra of individual nanowires reveal peaks associated with the Si-Si optical phonon mode in the Si core and the Si-Si, Si-Ge, and Ge-Ge vibrational modes of the SixGe1-x shell. The core Si-Si mode displays a clear red-shift compared to unstrained, bare Si nanowires thanks to the lattice mismatch-induced tensile strain, in agreement with calculated values using a finite-element continuum elasticity model combined with lattice dynamic theory. N-type field-effect transistors using Si-SixGe1-x core-shell nanowires as channel are demonstrated.

Fine tuning of process parameters for improving briquette production from palm kernel shell gasification waste.

PubMed

Bazargan, Alireza; Rough, Sarah L; McKay, Gordon

2018-04-01

Palm kernel shell biochars (PKSB) ejected as residues from a gasifier have been used for solid fuel briquette production. With this approach, palm kernel shells can be used for energy production twice: first, by producing rich syngas during gasification; second, by compacting the leftover residues from gasification into high calorific value briquettes. Herein, the process parameters for the manufacture of PKSB biomass briquettes via compaction are optimized. Two possible optimum process scenarios are considered. In the first, the compaction speed is increased from 0.5 to 10 mm/s, the compaction pressure is decreased from 80 Pa to 40 MPa, the retention time is reduced from 10 s to zero, and the starch binder content of the briquette is halved from 0.1 to 0.05 kg/kg. With these adjustments, the briquette production rate increases by more than 20-fold; hence capital and operational costs can be reduced and the service life of compaction equipment can be increased. The resulting product satisfactorily passes tensile (compressive) crushing strength and impact resistance tests. The second scenario involves reducing the starch weight content to 0.03 kg/kg, while reducing the compaction pressure to a value no lower than 60 MPa. Overall, in both cases, the PKSB biomass briquettes show excellent potential as a solid fuel with calorific values on par with good-quality coal. CHNS: carbon, hydrogen, nitrogen, sulfur; FFB: fresh fruit bunch(es); HHV: higher heating value [J/kg]; LHV: lower heating value [J/kg]; PKS: palm kernel shell(s); PKSB: palm kernel shell biochar(s); POME: palm oil mill effluent; RDF: refuse-derived fuel; TGA: thermogravimetric analysis.

The realization of the dipole (γ, γ) method and its application to determine the absolute optical oscillator strengths of helium.

PubMed

Xu, Long-Quan; Liu, Ya-Wei; Kang, Xu; Ni, Dong-Dong; Yang, Ke; Hiraoka, Nozomu; Tsuei, Ku-Ding; Zhu, Lin-Fan

2015-12-17

The dipole (γ, γ) method, which is the inelastic x-ray scattering operated at a negligibly small momentum transfer, is proposed and realized to determine the absolute optical oscillator strengths of the vanlence-shell excitations of atoms and molecules. Compared with the conventionally used photoabsorption method, this new method is free from the line saturation effect, which can seriously limit the accuracies of the measured photoabsorption cross sections for discrete transitions with narrow natural linewidths. Furthermore, the Bethe-Born conversion factor of the dipole (γ, γ) method varies much more slowly with the excitation energy than does that of the dipole (e, e) method. Absolute optical oscillator strengths for the excitations of 1s(2) → 1 snp(n = 3-7) of atomic helium have been determined using the high-resolution dipole (γ, γ) method, and the excellent agreement of the present measurements with both those measured by the dipole (e, e) method and the previous theoretical calculations indicates that the dipole (γ, γ) method is a powerful tool to measure the absolute optical oscillator strengths of the valence-shell excitations of atoms and molecules.

Synthesis of Multicolor Core/Shell NaLuF4:Yb3+/Ln3+@CaF2 Upconversion Nanocrystals

PubMed Central

Li, Hui; Hao, Shuwei; Yang, Chunhui; Chen, Guanying

2017-01-01

The ability to synthesize high-quality hierarchical core/shell nanocrystals from an efficient host lattice is important to realize efficacious photon upconversion for applications ranging from bioimaging to solar cells. Here, we describe a strategy to fabricate multicolor core @ shell α-NaLuF4:Yb3+/Ln3+@CaF2 (Ln = Er, Ho, Tm) upconversion nanocrystals (UCNCs) based on the newly established host lattice of sodium lutetium fluoride (NaLuF4). We exploited the liquid-solid-solution method to synthesize the NaLuF4 core of pure cubic phase and the thermal decomposition approach to expitaxially grow the calcium fluoride (CaF2) shell onto the core UCNCs, yielding cubic core/shell nanocrystals with a size of 15.6 ± 1.2 nm (the core ~9 ± 0.9 nm, the shell ~3.3 ± 0.3 nm). We showed that those core/shell UCNCs could emit activator-defined multicolor emissions up to about 772 times more efficient than the core nanocrystals due to effective suppression of surface-related quenching effects. Our results provide a new paradigm on heterogeneous core/shell structure for enhanced multicolor upconversion photoluminescence from colloidal nanocrystals. PMID:28336867

Study of the effect of varying core diameter, shell thickness and strain velocity on the tensile properties of single crystals of Cu-Ag core-shell nanowire using molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Sarkar, Jit; Das, D. K.

2018-01-01

Core-shell type nanostructures show exceptional properties due to their unique structure having a central solid core of one type and an outer thin shell of another type which draw immense attention among researchers. In this study, molecular dynamics simulations are carried out on single crystals of copper-silver core-shell nanowires having wire diameter ranging from 9 to 30 nm with varying core diameter, shell thickness, and strain velocity. The tensile properties like yield strength, ultimate tensile strength, and Young's modulus are studied and correlated by varying one parameter at a time and keeping the other two parameters constant. The results obtained for a fixed wire size and different strain velocities were extrapolated to calculate the tensile properties like yield strength and Young's modulus at standard strain rate of 1 mm/min. The results show ultra-high tensile properties of copper-silver core-shell nanowires, several times than that of bulk copper and silver. These copper-silver core-shell nanowires can be used as a reinforcing agent in bulk metal matrix for developing ultra-high strength nanocomposites.

In-Situ Welding Carbon Nanotubes into a Porous Solid with Super-High Compressive Strength and Fatigue Resistance

PubMed Central

Lin, Zhiqiang; Gui, Xuchun; Gan, Qiming; Chen, Wenjun; Cheng, Xiaoping; Liu, Ming; Zhu, Yuan; Yang, Yanbing; Cao, Anyuan; Tang, Zikang

2015-01-01

Carbon nanotube (CNT) and graphene-based sponges and aerogels have an isotropic porous structure and their mechanical strength and stability are relatively lower. Here, we present a junction-welding approach to fabricate porous CNT solids in which all CNTs are coated and welded in situ by an amorphous carbon layer, forming an integral three-dimensional scaffold with fixed joints. The resulting CNT solids are robust, yet still highly porous and compressible, with compressive strengths up to 72 MPa, flexural strengths up to 33 MPa, and fatigue resistance (recovery after 100,000 large-strain compression cycles at high frequency). Significant enhancement of mechanical properties is attributed to the welding-induced interconnection and reinforcement of structural units, and synergistic effects stemming from the core-shell microstructures consisting of a flexible CNT framework and a rigid amorphous carbon shell. Our results provide a simple and effective method to manufacture high-strength porous materials by nanoscale welding. PMID:26067176

In-Situ Welding Carbon Nanotubes into a Porous Solid with Super-High Compressive Strength and Fatigue Resistance.

PubMed

Lin, Zhiqiang; Gui, Xuchun; Gan, Qiming; Chen, Wenjun; Cheng, Xiaoping; Liu, Ming; Zhu, Yuan; Yang, Yanbing; Cao, Anyuan; Tang, Zikang

2015-06-11

Carbon nanotube (CNT) and graphene-based sponges and aerogels have an isotropic porous structure and their mechanical strength and stability are relatively lower. Here, we present a junction-welding approach to fabricate porous CNT solids in which all CNTs are coated and welded in situ by an amorphous carbon layer, forming an integral three-dimensional scaffold with fixed joints. The resulting CNT solids are robust, yet still highly porous and compressible, with compressive strengths up to 72 MPa, flexural strengths up to 33 MPa, and fatigue resistance (recovery after 100,000 large-strain compression cycles at high frequency). Significant enhancement of mechanical properties is attributed to the welding-induced interconnection and reinforcement of structural units, and synergistic effects stemming from the core-shell microstructures consisting of a flexible CNT framework and a rigid amorphous carbon shell. Our results provide a simple and effective method to manufacture high-strength porous materials by nanoscale welding.

In-Situ Welding Carbon Nanotubes into a Porous Solid with Super-High Compressive Strength and Fatigue Resistance

NASA Astrophysics Data System (ADS)

Lin, Zhiqiang; Gui, Xuchun; Gan, Qiming; Chen, Wenjun; Cheng, Xiaoping; Liu, Ming; Zhu, Yuan; Yang, Yanbing; Cao, Anyuan; Tang, Zikang

2015-06-01

Carbon nanotube (CNT) and graphene-based sponges and aerogels have an isotropic porous structure and their mechanical strength and stability are relatively lower. Here, we present a junction-welding approach to fabricate porous CNT solids in which all CNTs are coated and welded in situ by an amorphous carbon layer, forming an integral three-dimensional scaffold with fixed joints. The resulting CNT solids are robust, yet still highly porous and compressible, with compressive strengths up to 72 MPa, flexural strengths up to 33 MPa, and fatigue resistance (recovery after 100,000 large-strain compression cycles at high frequency). Significant enhancement of mechanical properties is attributed to the welding-induced interconnection and reinforcement of structural units, and synergistic effects stemming from the core-shell microstructures consisting of a flexible CNT framework and a rigid amorphous carbon shell. Our results provide a simple and effective method to manufacture high-strength porous materials by nanoscale welding.

A zebrafish embryo behaves both as a "cortical shell-liquid core" structure and a homogeneous solid when experiencing mechanical forces.

PubMed

Liu, Fei; Wu, Dan; Chen, Ken

2014-12-01

Mechanical properties are vital for living cells, and various models have been developed to study the mechanical behavior of cells. However, there is debate regarding whether a cell behaves more similarly to a "cortical shell-liquid core" structure (membrane-like) or a homogeneous solid (cytoskeleton-like) when experiencing stress by mechanical forces. Unlike most experimental methods, which concern the small-strain deformation of a cell, we focused on the mechanical behavior of a cell undergoing small to large strain by conducting microinjection experiments on zebrafish embryo cells. The power law with order of 1.5 between the injection force and the injection distance indicates that the cell behaves as a homogenous solid at small-strain deformation. The linear relation between the rupture force and the microinjector radius suggests that the embryo behaves as membrane-like when subjected to large-strain deformation. We also discuss the possible reasons causing the debate by analyzing the mechanical properties of F-actin filaments.

Preliminary 2-D shell analysis of the space shuttle solid rocket boosters

NASA Technical Reports Server (NTRS)

Knight, Norman F., Jr.; Gillian, Ronnie E.; Nemeth, Michael P.

1987-01-01

A two-dimensional shell model of an entire solid rocket booster (SRB) has been developed using the STAGSC-1 computer code and executed on the Ames CRAY computer. The purpose of these analyses is to calculate the overall deflection and stress distributions for the SRB when subjected to mechanical loads corresponding to critical times during the launch sequence. The mechanical loading conditions for the full SRB arise from the external tank (ET) attachment points, the solid rocket motor (SRM) pressure load, and the SRB hold down posts. The ET strut loads vary with time after the Space Shuttle main engine (SSME) ignition. The SRM internal pressure varies axially by approximately 100 psi. Static analyses of the full SRB are performed using a snapshot picture of the loads. The field and factory joints are modeled by using equivalent stiffness joints instead of detailed models of the joint. As such, local joint behavior cannot be obtained from this global model.

H-TiO(2) @MnO(2) //H-TiO(2) @C core-shell nanowires for high performance and flexible asymmetric supercapacitors.

PubMed

Lu, Xihong; Yu, Minghao; Wang, Gongming; Zhai, Teng; Xie, Shilei; Ling, Yichuan; Tong, Yexiang; Li, Yat

2013-01-11

A flexible solid-state asymmetric supercapacitor device with H-TiO(2) @MnO(2) core-shell NWs as the positive electrode and H-TiO(2) @C core-shell NWs as the negative electrode is developed. This device operates in a 1.8 V voltage window and is able to deliver a high specific capacitance of 139.6 F g(-1) and maximum volumetric energy density of 0.30 mWh cm(-3) with excellent cycling performance and good flexibility. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Low cost heterogenous catalyst from (Achatina Fulica) snail shell and its application for biodiesel conversion via microwave irradiation

NASA Astrophysics Data System (ADS)

Fatimah, Is; Kurniastuti, E. A.; Basthiani, I. A.; Fakhri, A.

2017-11-01

Research on preparation of heterogenous catalyst from Achatina Fulica snail shell and its application biodiesel conversion has been investigation. Research aimed to obtain low cost and reusable catalyst for biodiesel production. The catalyst was prepared by grinding and calcining the snail shell at 900°C for 2 hours. The obtained solid was analysed by using XRD, SEM-EDX. FTIR, and also basicity measurement. Catalyst was used in the cenvertion of rice bran oil transesterification at varied volume of oil methanol ratio of 20-80 under microwave and reflux methode. The transesterification result were analyzed by using GCMS.

Contact interaction of thin-walled elements with an elastic layer and an infinite circular cylinder under torsion

NASA Astrophysics Data System (ADS)

Kanetsyan, E. G.; Mkrtchyan, M. S.; Mkhitaryan, S. M.

2018-04-01

We consider a class of contact torsion problems on interaction of thin-walled elements shaped as an elastic thin washer – a flat circular plate of small height – with an elastic layer, in particular, with a half-space, and on interaction of thin cylindrical shells with a solid elastic cylinder, infinite in both directions. The governing equations of the physical models of elastic thin washers and thin circular cylindrical shells under torsion are derived from the exact equations of mathematical theory of elasticity using the Hankel and Fourier transforms. Within the framework of the accepted physical models, the solution of the contact problem between an elastic washer and an elastic layer is reduced to solving the Fredholm integral equation of the first kind with a kernel representable as a sum of the Weber–Sonin integral and some integral regular kernel, while solving the contact problem between a cylindrical shell and solid cylinder is reduced to a singular integral equation (SIE). An effective method for solving the governing integral equations of these problems are specified.

One step growth of GaN/SiO2 core/shell nanowire in vapor-liquid-solid route by chemical vapor deposition technique

NASA Astrophysics Data System (ADS)

Barick, B. K.; Yadav, Shivesh; Dhar, S.

2017-11-01

GaN/SiO2 core/shell nanowires are grown by cobalt phthalocyanine catalyst assisted vapor-liquid-solid route, in which Si wafer coated with a mixture of gallium and indium is used as the source for Ga and Si and ammonia is used as the precursor for nitrogen and hydrogen. Gallium in the presence of indium and hydrogen, which results from the dissociation of ammonia, forms Si-Ga-In alloy at the growth temperature ∼910 °C. This alloy acts as the source of Si, Ga and In. A detailed study using a variety of characterization tools reveals that these wires, which are several tens of micron long, has a diameter distribution of the core ranging from 20 to 50 nm, while the thickness of the amorphous SiO2 shell layer is about 10 nm. These wires grow along [ 1 0 1 bar 0 ] direction. It has also been observed that the average diameter of these wires decreases, while their density increases as the gallium proportion in the Ga-In mixture is increased.

Inelastic and Dynamic Fracture and Stress Analyses

NASA Technical Reports Server (NTRS)

Atluri, S. N.

1984-01-01

Large deformation inelastic stress analysis and inelastic and dynamic crack propagation research work is summarized. The salient topics of interest in engine structure analysis that are discussed herein include: (1) a path-independent integral (T) in inelastic fracture mechanics, (2) analysis of dynamic crack propagation, (3) generalization of constitutive relations of inelasticity for finite deformations , (4) complementary energy approaches in inelastic analyses, and (5) objectivity of time integration schemes in inelastic stress analysis.

Gamma Strength Functions and Level Densities from 300 MeV Proton Scatttering at 0°

NASA Astrophysics Data System (ADS)

von Neumann-Cosel, Peter; Bassauer, Sergej; Martin, Dirk

The gamma strength function (GSF) as well as total level densities (LDs) in 208Pb and 96Mo were extracted from high-resolution forward angle inelastic proton scattering data taken at RCNP, Osaka, Japan, and compared to experimental results obtained with the Oslo method in order to test the validity of the Brink-Axel (BA) hypothesis in the energy region of the pygmy dipole resonance. The case of 208Pb is inconclusive because of strong fluctuations of the GSF due to the small level density in a doubly closed-shell nucleus. In 96Mo the data are consistent with the BA hypothesis. The good agreement of LDs provides an independent confirmation of the approach underlying the decomposition of GSF and LDs in Oslo-type experiments.

Multinucleon transfer reactions – a pathway to new heavy and superheavy nuclei?

NASA Astrophysics Data System (ADS)

Heinz, Sophie

2018-05-01

Recently, we reported the observation of several new neutron-deficient isotopes with proton numbers Z ≥ 92 in collisions of 48Ca + 248Cm at the Coulomb barrier. The peculiarity is that these nuclei were produced in deep inelastic multinucleon transfer reactions, a method which is presently discussed as a possible new pathway to enter so far unknown regions in the upper part of the Chart of Nuclides. Of particular interest are multinucleon transfer reactions as a possible means to produce neutron-rich superheavy nuclei and nuclei along the magic neutron shell N = 126. Based on present-day physical and technical state-of-the art, we will discuss the question how big are our chances to enter these regions by applying multinucleon transfer reactions.

Evidence of Coherent K+ Meson Production in Neutrino-Nucleus Scattering

NASA Astrophysics Data System (ADS)

Wang, Z.; Marshall, C. M.; Aliaga, L.; Altinok, O.; Bellantoni, L.; Bercellie, A.; Betancourt, M.; Bodek, A.; Bravar, A.; Budd, H.; Cai, T.; Carneiro, M. F.; da Motta, H.; Dytman, S. A.; Díaz, G. A.; Eberly, B.; Endress, E.; Felix, J.; Fields, L.; Fine, R.; Galindo, R.; Gallagher, H.; Ghosh, A.; Golan, T.; Gran, R.; Harris, D. A.; Higuera, A.; Hurtado, K.; Kiveni, M.; Kleykamp, J.; Kordosky, M.; Le, T.; Maher, E.; Manly, S.; Mann, W. A.; Martinez Caicedo, D. A.; McFarland, K. S.; McGivern, C. L.; McGowan, A. M.; Messerly, B.; Miller, J.; Mislivec, A.; Morfín, J. G.; Mousseau, J.; Naples, D.; Nelson, J. K.; Norrick, A.; Nuruzzaman; Paolone, V.; Park, J.; Patrick, C. E.; Perdue, G. N.; Rakotondravohitra, L.; Ramirez, M. A.; Ransome, R. D.; Ray, H.; Ren, L.; Rimal, D.; Rodrigues, P. A.; Ruterbories, D.; Schellman, H.; Schmitz, D. W.; Simon, C.; Solano Salinas, C. J.; Tice, B. G.; Valencia, E.; Walton, T.; Wolcott, J.; Wospakrik, M.; Zavala, G.; Zhang, D.; Minerva Collaboration

2016-08-01

Neutrino-induced charged-current coherent kaon production νμA →μ-K+A is a rare, inelastic electroweak process that brings a K+ on shell and leaves the target nucleus intact in its ground state. This process is significantly lower in rate than the neutrino-induced charged-current coherent pion production because of Cabibbo suppression and a kinematic suppression due to the larger kaon mass. We search for such events in the scintillator tracker of MINERvA by observing the final state K+, μ-, and no other detector activity, and by using the kinematics of the final state particles to reconstruct the small momentum transfer to the nucleus, which is a model-independent characteristic of coherent scattering. We find the first experimental evidence for the process at 3 σ significance.

Evaluation of solution procedures for material and/or geometrically nonlinear structural analysis by the direct stiffness method.

NASA Technical Reports Server (NTRS)

Stricklin, J. A.; Haisler, W. E.; Von Riesemann, W. A.

1972-01-01

This paper presents an assessment of the solution procedures available for the analysis of inelastic and/or large deflection structural behavior. A literature survey is given which summarized the contribution of other researchers in the analysis of structural problems exhibiting material nonlinearities and combined geometric-material nonlinearities. Attention is focused at evaluating the available computation and solution techniques. Each of the solution techniques is developed from a common equation of equilibrium in terms of pseudo forces. The solution procedures are applied to circular plates and shells of revolution in an attempt to compare and evaluate each with respect to computational accuracy, economy, and efficiency. Based on the numerical studies, observations and comments are made with regard to the accuracy and economy of each solution technique.

Hybrid excitations due to crystal field, spin-orbit coupling, and spin waves in LiFePO4

NASA Astrophysics Data System (ADS)

Yiu, Yuen; Le, Manh Duc; Toft-Peterson, Rasmus; Ehlers, Georg; McQueeney, Robert J.; Vaknin, David

2017-03-01

We report on the spin waves and crystal field excitations in single crystal LiFePO4 by inelastic neutron scattering over a wide range of temperatures, below and above the antiferromagnetic transition of this system. In particular, we find extra excitations below TN=50 K that are nearly dispersionless and are most intense around magnetic zone centers. We show that these excitations correspond to transitions between thermally occupied excited states of Fe2 + due to splitting of the S =2 levels that arise from the crystal field and spin-orbit interactions. These excitations are further amplified by the highly distorted nature of the oxygen octahedron surrounding the iron atoms. Above TN, magnetic fluctuations are observed up to at least 720 K, with an additional inelastic excitation around 4 meV, which we attribute to single-ion effects, as its intensity weakens slightly at 720 K compared to 100 K, which is consistent with the calculated cross sections using a single-ion model. Our theoretical analysis, using the MF-RPA model, provides both detailed spectra of the Fe d shell and estimates of the average ordered magnetic moment and TN. By applying the MF-RPA model to a number of existing spin-wave results from other Li M PO4 (M =Mn , Co, and Ni), we are able to obtain reasonable predictions for the moment sizes and transition temperatures.

A platonic solid templating Archimedean solid: an unprecedented nanometre-sized Ag37 cluster

NASA Astrophysics Data System (ADS)

Li, Xiao-Yu; Su, Hai-Feng; Yu, Kai; Tan, Yuan-Zhi; Wang, Xing-Po; Zhao, Ya-Qin; Sun, Di; Zheng, Lan-Sun

2015-04-01

The spontaneous formation of discrete spherical nanosized molecules is prevalent in nature, but the authentic structural mimicry of such highly symmetric polyhedra from edge sharing of regular polygons has remained elusive. Here we present a novel ball-shaped {(HNEt3)[Ag37S4(SC6H4tBu)24(CF3COO)6(H2O)12]} cluster (1) that is assembled via a one-pot process from polymeric {(HNEt3)2[Ag10(SC6H4tBu)12]}n and CF3COOAg. Single crystal X-ray analysis confirmed that 1 is a Td symmetric spherical molecule with a [Ag36(SC6H4tBu)24] anion shell enwrapping a AgS4 tetrahedron. The shell topology of 1 belongs to one of 13 Archimedean solids, a truncated tetrahedron with four edge-shared hexagons and trigons, which are supported by a AgS4 Platonic solid in the core. Interestingly, the cluster emits green luminescence centered at 515 nm at room temperature. Our investigations have provided a promising synthetic protocol for a high-nuclearity silver cluster based on underlying geometrical principles.The spontaneous formation of discrete spherical nanosized molecules is prevalent in nature, but the authentic structural mimicry of such highly symmetric polyhedra from edge sharing of regular polygons has remained elusive. Here we present a novel ball-shaped {(HNEt3)[Ag37S4(SC6H4tBu)24(CF3COO)6(H2O)12]} cluster (1) that is assembled via a one-pot process from polymeric {(HNEt3)2[Ag10(SC6H4tBu)12]}n and CF3COOAg. Single crystal X-ray analysis confirmed that 1 is a Td symmetric spherical molecule with a [Ag36(SC6H4tBu)24] anion shell enwrapping a AgS4 tetrahedron. The shell topology of 1 belongs to one of 13 Archimedean solids, a truncated tetrahedron with four edge-shared hexagons and trigons, which are supported by a AgS4 Platonic solid in the core. Interestingly, the cluster emits green luminescence centered at 515 nm at room temperature. Our investigations have provided a promising synthetic protocol for a high-nuclearity silver cluster based on underlying geometrical principles. Electronic supplementary information (ESI) available: detailed synthesis procedure, tables, crystal data in CIF files, IR data, TGA results and powder X-ray diffractogram for 1. CCDC 1042228. See DOI: 10.1039/c5nr01222h

Gas production apparatus

DOEpatents

Winsche, Warren E.; Miles, Francis T.; Powell, James R.

1976-01-01

This invention relates generally to the production of gases, and more particularly to the production of tritium gas in a reliable long operating lifetime systems that employs solid lithium to overcome the heretofore known problems of material compatibility and corrosion, etc., with liquid metals. The solid lithium is irradiated by neutrons inside low activity means containing a positive (+) pressure gas stream for removing and separating the tritium from the solid lithium, and these means are contained in a low activity shell containing a thermal insulator and a neutron moderator.

Continuum modeling of twinning, amorphization, and fracture: theory and numerical simulations

NASA Astrophysics Data System (ADS)

Clayton, J. D.; Knap, J.

2018-03-01

A continuum mechanical theory is used to model physical mechanisms of twinning, solid-solid phase transformations, and failure by cavitation and shear fracture. Such a sequence of mechanisms has been observed in atomic simulations and/or experiments on the ceramic boron carbide. In the present modeling approach, geometric quantities such as the metric tensor and connection coefficients can depend on one or more director vectors, also called internal state vectors. After development of the general nonlinear theory, a first problem class considers simple shear deformation of a single crystal of this material. For homogeneous fields or stress-free states, algebraic systems or ordinary differential equations are obtained that can be solved by numerical iteration. Results are in general agreement with atomic simulation, without introduction of fitted parameters. The second class of problems addresses the more complex mechanics of heterogeneous deformation and stress states involved in deformation and failure of polycrystals. Finite element calculations, in which individual grains in a three-dimensional polycrystal are fully resolved, invoke a partially linearized version of the theory. Results provide new insight into effects of crystal morphology, activity or inactivity of different inelasticity mechanisms, and imposed deformation histories on strength and failure of the aggregate under compression and shear. The importance of incorporation of inelastic shear deformation in realistic models of amorphization of boron carbide is noted, as is a greater reduction in overall strength of polycrystals containing one or a few dominant flaws rather than many diffusely distributed microcracks.

Strain history of ice shells of the Galilean satellites from radar detection of crystal orientation fabric

NASA Astrophysics Data System (ADS)

Barr, Amy C.; Stillman, David E.

2011-03-01

Orbital radar sounding has been suggested as a means of determining the subsurface thermal and physical structure of the outer ice I shells of the Galilean satellites. At radar frequencies, the dielectric permittivity of single- and polycrystalline water ice I is anisotropic. Crystal orientation fabric (COF), which is indicative of strain history, can be unambiguously detected by comparing the received power of dual co-polarization (linear polarization parallel and perpendicular to the orbit) radar data. Regions with crystal orientations dictated by the local strain field (“fabric”) form in terrestrial ice masses where accumulated strain and temperature are high, similar to conditions expected in a convecting outer ice I shell on Europa, Ganymede, or Callisto. We use simulations of solid-state ice shell convection to show that crystal orientation fabric can form in the warm convecting sublayer of the ice shells for plausible grain sizes. Changes in received power from parallel and perpendicular polarizations in the ice shells due to fabric could be detected if multi-polarization data is collected. With proper instrument design, radar sounding could be used to shed light on the strain history of the satellites' ice shells in addition to their present day internal structures.

M-shell electron capture and direct ionization of gold by 25-MeV carbon and 32-MeV oxygen ions

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

Andrews, M.C.; McDaniel, F.D.; Duggan, J.L.

1984-01-01

M-shell x-ray production cross sections have been measured for thin solid targets of Au for 25 MeV /sup 12/C/sup q+/ (q = 4, 5, 6) and for 32 MeV /sup 16/O/sup q+/ (q = 5, 7, 8). The microscopic cross sections were determined from measurements made with targets ranging in thickness from 0.5 to 100 ..mu..g/cm/sup 2/. For projectiles with one or two K-shell vacancies, the M-shell x-ray production cross sections are found to be enhanced over those by projectiles without a K-shell vacancy. The sum of direct ionization to the continuum (DI) and electron capture (EC) to the L,more » M, N ... shells and EC to the K-shell of the projectile have been extracted from the data. The results are compared to the predictions of first Born theories i.e. PWBA for DI and OBK of Nikolaev for EC and the ECPSSR approach that accounts for energy loss, Coulomb deflection and relativistic effects in the perturbed stationary state theory. 25 references, 3 figures, 1 table.« less

One-by-one imprinting in two eccentric layers of hollow core-shells: Sequential electroanalysis of anti-HIV drugs.

PubMed

Singh, Kislay; Jaiswal, Swadha; Singh, Richa; Fatma, Sana; Prasad, Bhim Bali

2018-07-15

Double layered one-by-one imprinted hollow core-shells@ pencil graphite electrode was fabricated for sequential sensing of anti-HIV drugs. For this, two eccentric layers were developed on the surface of vinylated silica nanospheres to obtain double layered one-by-one imprinted solid core-shells. This yielded hollow core-shells on treatment with hydrofluoric acid. The modified hollow core-shells (single layered dual imprinted) evolved competitive diffusion of probe/analyte molecules. However, the corresponding double layered one-by-one imprinted hollow core-shells (outer layer imprinted with Zidovudine, and inner layer with Lamivudine) were found relatively better owing to their bilateral diffusions into molecular cavities, without any competition. The entire work is based on differential pulse anodic stripping voltammetry at double layered one-by-one imprinted hollow core-shells. This resulted in indirect detection of electro inactive targets with limits of detection as low as 0.91 and 0.12 (aqueous sample), 0.94 and 0.13 (blood serum), and 0.99 and 0.20 ng mL -1 (pharmaceutics) for lamivudine and zidovudine, respectively in anti-HIV drug combination. Copyright © 2018 Elsevier B.V. All rights reserved.

Effects of Moisture and Other Contaminants in Friction Composites

DTIC Science & Technology

1993-01-30

NC 126, (Cardolite Corporation, Newark, NJ), a cashew nut shell liquid modified phenolic resin. NC126 is different from a straight phenolic resin in...that there is an alkyl chain substituent in the meta position of the phenol. The resin is derived from cashew nut shell liquid and is a solid...crosslinked cashew resin and is often referred to as cashew particles. The friction materials were processed by compression molding at 160 °C and 1000 psi

Mesoporous TiO2 Yolk-Shell Microspheres for Dye-sensitized Solar Cells with a High Efficiency Exceeding 11%

PubMed Central

Li, Zhao-Qian; Chen, Wang-Chao; Guo, Fu-Ling; Mo, Li-E; Hu, Lin-Hua; Dai, Song-Yuan

2015-01-01

Yolk-shell TiO2 microspheres were synthesized via a one-pot template-free solvothermal method building on the aldol condensation reaction of acetylacetone. This unique structure shows superior light scattering ability resulting in power conversion efficiency as high as 11%. This work provided a new synthesis system for TiO2 microspheres from solid to hollow and a novel material platform for high performance solar cells. PMID:26384004

Preliminary user's manuals for DYNA3D and DYNAP. [In FORTRAN IV for CDC 7600 and Cray-1

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

Hallquist, J. O.

1979-10-01

This report provides a user's manual for DYNA3D, an explicit three-dimensional finite-element code for analyzing the large deformation dynamic response of inelastic solids. A contact-impact algorithm permits gaps and sliding along material interfaces. By a specialization of this algorithm, such interfaces can be rigidly tied to admit variable zoning without the need of transition regions. Spatial discretization is achieved by the use of 8-node solid elements, and the equations of motion are integrated by the central difference method. Post-processors for DYNA3D include GRAPE for plotting deformed shapes and stress contours and DYNAP for plotting time histories. A user's manual formore » DYNAP is also provided. 23 figures.« less

Microscopic aspects of the effect of friction reducers at the lubrication limit. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Mansot, J. L.

1984-01-01

An attempt is made to analytically model the physicochemical properties of lubricants and their capacity to reduce friction. A technique of frozen fracturing of the lubricants was employed to study the dispersion of additives throughout a lubricant. Adsorption was observed at the liquid-solid interface, which was the region where the solid and lubricant met, and the molecular dispersion of the additive enhanced the effectiveness of the lubricant. The electrically conductive characteristics of the lubricant at the friction interface indicated the presence of tunneling effects. The Bethe model was used to examine the relationship between the coefficient of friction and the variation of interface thickness. The electron transport permitted an inelastic tunnel electron spectroscopic investigation of the molecular transformations undergone by the additive during friction episodes.

Optimization and design of pigments for heat-insulating coatings

NASA Astrophysics Data System (ADS)

Wang, Guang-Hai; Zhang, Yue

2010-12-01

This paper reports that heat insulating property of infrared reflective coatings is obtained through the use of pigments which diffuse near-infrared thermal radiation. Suitable structure and size distribution of pigments would attain maximum diffuse infrared radiation and reduce the pigment volume concentration required. The optimum structure and size range of pigments for reflective infrared coatings are studied by using Kubelka—Munk theory, Mie model and independent scattering approximation. Taking titania particle as the pigment embedded in an inorganic coating, the computational results show that core-shell particles present excellent scattering ability, more so than solid and hollow spherical particles. The optimum radius range of core-shell particles is around 0.3 ~ 1.6 μm. Furthermore, the influence of shell thickness on optical parameters of the coating is also obvious and the optimal thickness of shell is 100-300 nm.

As(V) and P Competitive Sorption on Soils, By-Products and Waste Materials

PubMed Central

Rivas-Pérez, Ivana María; Paradelo-Núñez, Remigio; Nóvoa-Muñoz, Juan Carlos; Arias-Estévez, Manuel; Fernández-Sanjurjo, María José; Álvarez-Rodríguez, Esperanza; Núñez-Delgado, Avelino

2015-01-01

Batch-type experiments were used to study competitive As(V) and P sorption on various soils and sorbent materials. The materials assayed were a forest soil, a vineyard soil, pyritic material, granitic material, coarsely and finely ground mussel shell, calcinated mussel shell ash, pine sawdust and slate processing fines. Competition between As(V) and P was pronounced in the case of both soils, granitic material, slate fines, both shells and pine sawdust, showing more affinity for P. Contrary, the pyritic material and mussel shell ash showed high and similar affinity for As(V) and P. These results could be useful to make a correct use of the soils and materials assayed when focusing on As and P removal in solid or liquid media, in circumstances where both pollutants may compete for sorption sites. PMID:26690456

Dynamics of a suspension of interacting yolk-shell particles

DOE PAGES

Sánchez Díaz, L. E.; Cortes-Morales, E. C.; Li, X.; ...

2014-12-01

In this work we study the self-diusion properties of a liquid of hollow spherical particles (shells) bearing a smaller solid sphere in their interior (yolks). We model this system using purely repulsive hard-body interactions between all (shell and yolk) particles, but assume the presence of a background ideal solvent such that all the particles execute free Brownian motion between collisions, characterized by short-time self-diusion coecients D0 s for the shells and D0 y for the yolks. Using a softened version of these interparticle potentials we perform Brownian dynamics simulations to determine the mean squared displacement and intermediate scattering function ofmore » the yolk-shell complex. These results can be understood in terms of a set of eective Langevin equations for the N interacting shell particles, pre-averaged over the yolks' degrees of freedom, from which an approximate self-consistent description of the simulated self-diusion properties can be derived. Here we compare the theoretical and simulated results between them, and with the results for the same system in the absence of yolks. We nd that the yolks, which have no eect on the shell-shell static structure, in uence the dynamic properties in a predictable manner, fully captured by the theory.« less

Effect of core-shell structure on optical properties of Au-Cu2O nanoparticles

NASA Astrophysics Data System (ADS)

Sai, Cong Doanh; Ngac, An Bang

2018-03-01

Solid Au-Cu2O core-shell nanoparticles were synthesized using gold nanoparticles of 16.6 nm in size as the core. The core-shell structure of the synthesized particles was confirmed and characterized by TEM and HRTEM images. Due to their similar crystal structure, the (111) planes of Cu2O are nucleated and grown epitaxially on the {111} facets of Au nanoparticles with the lattice mismatch of about 4.3% resulting in a polycrystallized Cu2O shell covering the Au nanocore. Due to the quantum confinement effect, the band gap energy Eg of the synthesized Cu2O shells is blue-shifted from 2.35 to 2.70 eV as the shell thickness decreases from of 24.6±3.6 to 9.0±1.7 nm. The localized SPR (Surface Plasmon Resonance) peak of the Au nanocore undergoes a large red shift of the order of a hundred of nm due to both the high refractive index and the increase of the thickness of Cu2O shell. Theoretical models within the Drude framework significantly underestimate the experimental data and predict a wrong rate of change of the SPR peak position with respect to the shell thickness.

Enhanced Electron Mobility in Nonplanar Tensile Strained Si Epitaxially Grown on SixGe1-x Nanowires.

PubMed

Wen, Feng; Tutuc, Emanuel

2018-01-10

We report the growth and characterization of epitaxial, coherently strained Si x Ge 1-x -Si core-shell nanowire heterostructure through vapor-liquid-solid growth mechanism for the Si x Ge 1-x core, followed by an in situ ultrahigh-vacuum chemical vapor deposition for the Si shell. Raman spectra acquired from individual nanowire reveal the Si-Si, Si-Ge, and Ge-Ge modes of the Si x Ge 1-x core and the Si-Si mode of the shell. Because of the compressive (tensile) strain induced by lattice mismatch, the core (shell) Raman modes are blue (red) shifted compared to those of unstrained bare Si x Ge 1-x (Si) nanowires, in good agreement with values calculated using continuum elasticity model coupled with lattice dynamic theory. A large tensile strain of up to 2.3% is achieved in the Si shell, which is expected to provide quantum confinement for electrons due to a positive core-to-shell conduction band offset. We demonstrate n-type metal-oxide-semiconductor field-effect transistors using Si x Ge 1-x -Si core-shell nanowires as channel and observe a 40% enhancement of the average electron mobility compared to control devices using Si nanowires due to an increased electron mobility in the tensile-strained Si shell.

NASA Structural Analysis Report on the American Airlines Flight 587 Accident - Local Analysis of the Right Rear Lug

NASA Technical Reports Server (NTRS)

Raju, Ivatury S; Glaessgen, Edward H.; Mason, Brian H; Krishnamurthy, Thiagarajan; Davila, Carlos G

2005-01-01

A detailed finite element analysis of the right rear lug of the American Airlines Flight 587 - Airbus A300-600R was performed as part of the National Transportation Safety Board s failure investigation of the accident that occurred on November 12, 2001. The loads experienced by the right rear lug are evaluated using global models of the vertical tail, local models near the right rear lug, and a global-local analysis procedure. The right rear lug was analyzed using two modeling approaches. In the first approach, solid-shell type modeling is used, and in the second approach, layered-shell type modeling is used. The solid-shell and the layered-shell modeling approaches were used in progressive failure analyses (PFA) to determine the load, mode, and location of failure in the right rear lug under loading representative of an Airbus certification test conducted in 1985 (the 1985-certification test). Both analyses were in excellent agreement with each other on the predicted failure loads, failure mode, and location of failure. The solid-shell type modeling was then used to analyze both a subcomponent test conducted by Airbus in 2003 (the 2003-subcomponent test) and the accident condition. Excellent agreement was observed between the analyses and the observed failures in both cases. From the analyses conducted and presented in this paper, the following conclusions were drawn. The moment, Mx (moment about the fuselage longitudinal axis), has significant effect on the failure load of the lugs. Higher absolute values of Mx give lower failure loads. The predicted load, mode, and location of the failure of the 1985-certification test, 2003-subcomponent test, and the accident condition are in very good agreement. This agreement suggests that the 1985-certification and 2003- subcomponent tests represent the accident condition accurately. The failure mode of the right rear lug for the 1985-certification test, 2003-subcomponent test, and the accident load case is identified as a cleavage-type failure. For the accident case, the predicted failure load for the right rear lug from the PFA is greater than 1.98 times the limit load of the lugs. I.

Structural Analysis of the Right Rear Lug of American Airlines Flight 587

NASA Technical Reports Server (NTRS)

Raju, Ivatury S.; Glaessgen, Edward H.; Mason, Brian H.; Krishnamurthy, Thiagarajan; Davila, Carlos G.

2006-01-01

A detailed finite element analysis of the right rear lug of the American Airlines Flight 587 - Airbus A300-600R was performed as part of the National Transportation Safety Board s failure investigation of the accident that occurred on November 12, 2001. The loads experienced by the right rear lug are evaluated using global models of the vertical tail, local models near the right rear lug, and a global-local analysis procedure. The right rear lug was analyzed using two modeling approaches. In the first approach, solid-shell type modeling is used, and in the second approach, layered-shell type modeling is used. The solid-shell and the layered-shell modeling approaches were used in progressive failure analyses (PFA) to determine the load, mode, and location of failure in the right rear lug under loading representative of an Airbus certification test conducted in 1985 (the 1985-certification test). Both analyses were in excellent agreement with each other on the predicted failure loads, failure mode, and location of failure. The solid-shell type modeling was then used to analyze both a subcomponent test conducted by Airbus in 2003 (the 2003-subcomponent test) and the accident condition. Excellent agreement was observed between the analyses and the observed failures in both cases. The moment, Mx (moment about the fuselage longitudinal axis), has significant effect on the failure load of the lugs. Higher absolute values of Mx give lower failure loads. The predicted load, mode, and location of the failure of the 1985- certification test, 2003-subcomponent test, and the accident condition are in very good agreement. This agreement suggests that the 1985-certification and 2003-subcomponent tests represent the accident condition accurately. The failure mode of the right rear lug for the 1985-certification test, 2003-subcomponent test, and the accident load case is identified as a cleavage-type failure. For the accident case, the predicted failure load for the right rear lug from the PFA is greater than 1.98 times the limit load of the lugs.

Properties of palm oil fuel ash cement sand brick containing pulverized cockle shell as partial sand replacement

NASA Astrophysics Data System (ADS)

Mat Aris, S.; Muthusamy, K.; Uzer, A.; Ahmad, S. Wan

2018-04-01

Environmental pollution caused by the disposal of solid wastes generated from both palm oil industry and cockle shell trade has motivated researches to explore the potential of these wastes. Integrating these wastes in production of construction material is one of the ways to reduce amount of waste thrown at dumping area. Thus, the present investigation investigates the performance of palm oil fuel ash (POFA) cement sand brick containing pulverized cockle shell as partial fine aggregate replacement. All mixes used contain 20% of POFA as partial cement replacement. Total of six mixes were prepared by adding a range of pulverized cockle shell that is 0%, 10%, 20%, 30%, 40% and 50% as partial sand replacement. The mixes were prepared in form of brick. All the water cured samples were tested for compressive strength and flexural strength until 28 days. Findings show that brick produced using 20% pulverized cockle shell exhibit the highest compressive strength and flexural strength also the lowest water absorption value.

Shell-NASA Vibration-Based Damage Characterization

NASA Technical Reports Server (NTRS)

Rollins, John M.

2014-01-01

This article describes collaborative research between Shell International Exploration and Production (IE&P) scientists and ISAG personnel to investigate the feasibility of ultrasonic-based characterization of spacecraft tile damage for in-space inspection applications. The approach was proposed by Shell personnel in a Shell-NASA "speed-matching" session in early 2011 after ISAG personnel described challenges inherent in the inspection of MMOD damage deep within spacecraft thermal protection system (TPS) tiles. The approach leveraged Shell's relevant sensor and analytical expertise. The research addressed the difficulties associated with producing 3D models of MMOD damage cavities under the surface of a TPS tile, given that simple image-based sensing is constrained by line of sight through entry holes that have diameters considerably smaller than the underlying damage cavities. Damage cavity characterization is needed as part of a vehicle inspection and risk reduction capability for long-duration, human-flown space missions. It was hoped that cavity characterization could be accomplished through the use of ultrasonic techniques that allow for signal penetration through solid material.

Laser-fusion targets for reactors

DOEpatents

Nuckolls, John H.; Thiessen, Albert R.

1987-01-01

A laser target comprising a thermonuclear fuel capsule composed of a centrally located quantity of fuel surrounded by at least one or more layers or shells of material for forming an atmosphere around the capsule by a low energy laser prepulse. The fuel may be formed as a solid core or hollow shell, and, under certain applications, a pusher-layer or shell is located intermediate the fuel and the atmosphere forming material. The fuel is ignited by symmetrical implosion via energy produced by a laser, or other energy sources such as an electron beam machine or ion beam machine, whereby thermonuclear burn of the fuel capsule creates energy for applications such as generation of electricity via a laser fusion reactor.

Advanced nanomaterials–sustainable preparation and their catalytic applications

EPA Science Inventory

Sustainable nanomaterials have attracted great attention as highly functionalized nanocatalysts in diverse forms including solid-supported nanocatalysts, graphene materials, and core-shell catalysts among other nanostructures. Technology advancements in last decades have allowed ...

Ultra-fast vapour-liquid-solid synthesis of Si nanowires using ion-beam implanted gallium as catalyst.

PubMed

Hetzel, Martin; Lugstein, Alois; Zeiner, Clemens; Wójcik, Tomasz; Pongratz, Peter; Bertagnolli, Emmerich

2011-09-30

The feasibility of gallium as a catalyst for vapour-liquid-solid (VLS) nanowire (NW) growth deriving from an implantation process in silicon by a focused ion beam (FIB) is investigated. Si(100) substrates are subjected to FIB implantation of gallium ions with various ion fluence rates. NW growth is performed in a hot wall chemical vapour deposition (CVD) reactor at temperatures between 400 and 500 °C with 2% SiH(4)/He as precursor gas. This process results in ultra-fast growth of (112)- and (110)-oriented Si-NWs with a length of several tens of micrometres. Further investigation by transmission electron microscopy indicates the presence of a NW core-shell structure: while the NW core yields crystalline structuring, the shell consists entirely of amorphous material.

Removal of free fatty acid in Palm Fatty Acid Distillate using sulfonated carbon catalyst derived from biomass wastefor biodiesel production

NASA Astrophysics Data System (ADS)

Hidayat, Arif; Rochmadi; Wijaya, Karna; Budiman, Arief

2016-01-01

In this research, the esterification of PFAD using the sulfonatedcoconut shell biochar catalyst was studied. Carbon solid catalysts were prepared by a sulfonation of carbonized coconut shells. The performances of the catalysts were evaluated in terms of the reaction temperatures, the molar ratios of methanol to PFAD, the catalyst loading and the reaction times. The reusability of the solid acid carbon catalysts was also studied in this work. The results indicated that the FFA conversion was significantly increased with increasing catalyst loading and reaction times. It can be concluded that the optimal conditions were an PFAD to methanol molar ratio of 1:12, the amount of catalyst of 10%w, and reaction temperature of 60oC.At this optimum condition, the conversion to biodieselreached 88%.

Fluidized bed regenerators for Brayton cycles

NASA Technical Reports Server (NTRS)

Nichols, L. D.

1975-01-01

A recuperator consisting of two fluidized bed regenerators with circulating solid particles is considered for use in a Brayton cycle. These fluidized beds offer the possibility of high temperature operation if ceramic particles are used. Calculations of the efficiency and size of fluidized bed regenerators for typical values of operating parameters were made and compared to a shell and tube recuperator. The calculations indicate that the fluidized beds will be more compact than the shell and tube as well as offering a high temperature operating capability.

Quanty for core level spectroscopy - excitons, resonances and band excitations in time and frequency domain

NASA Astrophysics Data System (ADS)

Haverkort, Maurits W.

2016-05-01

Depending on the material and edge under consideration, core level spectra manifest themselves as local excitons with multiplets, edge singularities, resonances, or the local projected density of states. Both extremes, i.e., local excitons and non-interacting delocalized excitations are theoretically well under control. Describing the intermediate regime, where local many body interactions and band-formation are equally important is a challenge. Here we discuss how Quanty, a versatile quantum many body script language, can be used to calculate a variety of different core level spectroscopy types on solids and molecules, both in the frequency as well as the time domain. The flexible nature of Quanty allows one to choose different approximations for different edges and materials. For example, using a newly developed method merging ideas from density renormalization group and quantum chemistry [1-3], Quanty can calculate excitons, resonances and band-excitations in x-ray absorption, photoemission, x-ray emission, fluorescence yield, non-resonant inelastic x-ray scattering, resonant inelastic x-ray scattering and many more spectroscopy types. Quanty can be obtained from: http://www.quanty.org.

Enhanced cycling stability of NiCo2S4@NiO core-shell nanowire arrays for all-solid-state asymmetric supercapacitors.

PubMed

Huang, Yuanyuan; Shi, Tielin; Jiang, Shulan; Cheng, Siyi; Tao, Xiangxu; Zhong, Yan; Liao, Guanglan; Tang, Zirong

2016-12-07

As a new class of pseudocapacitive material, metal sulfides possess high electrochemical performance. However, their cycling performance as conventional electrodes is rather poor for practical applications. In this article, we report an original composite electrode based on NiCo 2 S 4 @NiO core-shell nanowire arrays (NWAs) with enhanced cycling stability. This three-dimensional electrode also has a high specific capacitance of 12.2 F cm -2 at the current density of 1 mA cm -2 and excellent cycling stability (about 89% retention after 10,000 cycles). Moreover, an all-solid-state asymmetric supercapacitor (ASC) device has been assembled with NiCo 2 S 4 @NiO NWAs as the positive electrode and active carbon (AC) as the negative electrode, delivering a high energy density of 30.38 W h kg -1 at 0.288 KW kg -1 and good cycling stability (about 109% retention after 5000 cycles). The results show that NiCo 2 S 4 @NiO NWAs are promising for high-performance supercapacitors with stable cycling based on the unique core-shell structure and well-designed combinations.

Enhanced cycling stability of NiCo2S4@NiO core-shell nanowire arrays for all-solid-state asymmetric supercapacitors

NASA Astrophysics Data System (ADS)

Huang, Yuanyuan; Shi, Tielin; Jiang, Shulan; Cheng, Siyi; Tao, Xiangxu; Zhong, Yan; Liao, Guanglan; Tang, Zirong

2016-12-01

As a new class of pseudocapacitive material, metal sulfides possess high electrochemical performance. However, their cycling performance as conventional electrodes is rather poor for practical applications. In this article, we report an original composite electrode based on NiCo2S4@NiO core-shell nanowire arrays (NWAs) with enhanced cycling stability. This three-dimensional electrode also has a high specific capacitance of 12.2 F cm-2 at the current density of 1 mA cm-2 and excellent cycling stability (about 89% retention after 10,000 cycles). Moreover, an all-solid-state asymmetric supercapacitor (ASC) device has been assembled with NiCo2S4@NiO NWAs as the positive electrode and active carbon (AC) as the negative electrode, delivering a high energy density of 30.38 W h kg-1 at 0.288 KW kg-1 and good cycling stability (about 109% retention after 5000 cycles). The results show that NiCo2S4@NiO NWAs are promising for high-performance supercapacitors with stable cycling based on the unique core-shell structure and well-designed combinations.

Enhanced cycling stability of NiCo2S4@NiO core-shell nanowire arrays for all-solid-state asymmetric supercapacitors

PubMed Central

Huang, Yuanyuan; Shi, Tielin; Jiang, Shulan; Cheng, Siyi; Tao, Xiangxu; Zhong, Yan; Liao, Guanglan; Tang, Zirong

2016-01-01

As a new class of pseudocapacitive material, metal sulfides possess high electrochemical performance. However, their cycling performance as conventional electrodes is rather poor for practical applications. In this article, we report an original composite electrode based on NiCo2S4@NiO core-shell nanowire arrays (NWAs) with enhanced cycling stability. This three-dimensional electrode also has a high specific capacitance of 12.2 F cm−2 at the current density of 1 mA cm−2 and excellent cycling stability (about 89% retention after 10,000 cycles). Moreover, an all-solid-state asymmetric supercapacitor (ASC) device has been assembled with NiCo2S4@NiO NWAs as the positive electrode and active carbon (AC) as the negative electrode, delivering a high energy density of 30.38 W h kg−1 at 0.288 KW kg−1 and good cycling stability (about 109% retention after 5000 cycles). The results show that NiCo2S4@NiO NWAs are promising for high-performance supercapacitors with stable cycling based on the unique core-shell structure and well-designed combinations. PMID:27924927

A parametric shell analysis of the shuttle 51-L SRB AFT field joint

NASA Technical Reports Server (NTRS)

Davis, Randall C.; Bowman, Lynn M.; Hughes, Robert M., IV; Jackson, Brian J.

1990-01-01

Following the Shuttle 51-L accident, an investigation was conducted to determine the cause of the failure. Investigators at the Langley Research Center focused attention on the structural behavior of the field joints with O-ring seals in the steel solid rocket booster (SRB) cases. The shell-of-revolution computer program BOSOR4 was used to model the aft field joint of the solid rocket booster case. The shell model consisted of the SRB wall and joint geometry present during the Shuttle 51-L flight. A parametric study of the joint was performed on the geometry, including joint clearances, contact between the joint components, and on the loads, induced and applied. In addition combinations of geometry and loads were evaluated. The analytical results from the parametric study showed that contact between the joint components was a primary contributor to allowing hot gases to blow by the O-rings. Based upon understanding the original joint behavior, various proposed joint modifications are shown and analyzed in order to provide additional insight and information. Finally, experimental results from a hydro-static pressurization of a test rocket booster case to study joint motion are presented and verified analytically.

Transition probabilities in neutron-rich Se,8280 and the role of the ν g9 /2 orbital

NASA Astrophysics Data System (ADS)

Litzinger, J.; Blazhev, A.; Dewald, A.; Didierjean, F.; Duchêne, G.; Fransen, C.; Lozeva, R.; Verney, D.; de Angelis, G.; Bazzacco, D.; Birkenbach, B.; Bottoni, S.; Bracco, A.; Braunroth, T.; Cederwall, B.; Corradi, L.; Crespi, F. C. L.; Désesquelles, P.; Eberth, J.; Ellinger, E.; Farnea, E.; Fioretto, E.; Gernhäuser, R.; Goasduff, A.; Görgen, A.; Gottardo, A.; Grebosz, J.; Hackstein, M.; Hess, H.; Ibrahim, F.; Jolie, J.; Jungclaus, A.; Kolos, K.; Korten, W.; Leoni, S.; Lunardi, S.; Maj, A.; Menegazzo, R.; Mengoni, D.; Michelagnoli, C.; Mijatovic, T.; Million, B.; Möller, O.; Modamio, V.; Montagnoli, G.; Montanari, D.; Morales, A. I.; Napoli, D. R.; Niikura, M.; Pietralla, N.; Pollarolo, G.; Pullia, A.; Quintana, B.; Recchia, F.; Reiter, P.; Rosso, D.; Sahin, E.; Salsac, M. D.; Scarlassara, F.; Söderström, P.-A.; Stefanini, A. M.; Stezowski, O.; Szilner, S.; Theisen, Ch.; Valiente-Dobón, J. J.; Vandone, V.; Vogt, A.

2018-04-01

Transition probabilities of intermediate-spin yrast and non-yrast excitations in Se,8280 were investigated in a recoil distance Doppler-shift (RDDS) experiment performed at the Istituto Nazionale di Fisica Nucleare, Laboratori Nazionali di Legnaro. The Cologne Plunger device for deep inelastic scattering was used for the RDDS technique and was combined with the AGATA Demonstrator array for the γ -ray detection and coupled to the PRISMA magnetic spectrometer for an event-by-event particle identification. In 80Se, the level lifetimes of the yrast (61+) and (81+) states and of a non-yrast band feeding the yrast 41+ state are determined. A spin and parity assignment of the head of this sideband is discussed based on the experimental results and supported by large-scale shell-model calculations. In 82Se, the level lifetimes of the yrast 61+ state and the yrare 42+ state and lifetime limits of the yrast (101+) state and of the 51- state are determined. Although the experimental results contain large uncertainties, they are interpreted with care in terms of large-scale shell-model calculations using the effective interactions JUN45 and jj44b. The excited states' wave functions are investigated and discussed with respect to the role of the neutron g9 /2 orbital.

RAMAN SCATTERED He II {lambda}4332 IN THE SYMBIOTIC STAR V1016 CYGNI

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

Lee, Hee-Won

Raman scattering of He II line photons with atomic hydrogen is important in studying the mass loss processes in many symbiotic stars and a number of young planetary nebulae. We calculate the scattering cross sections and branching ratios associated with the Raman scattered He II {lambda}4332 feature formed through inelastic scattering of He II {lambda}949 with a hydrogen atom. At the line center of He II {lambda}949, the total scattering cross section is computed to be {sigma}{sub tot} = 2.5 Multiplication-Sign 10{sup -22} cm{sup 2}, and the branching ratio into the level 2s is 0.12. We also present a high-resolutionmore » spectrum of the symbiotic star V1016 Cygni obtained with the 1.8 m telescope at Mt. Bohyun to investigate the Raman scattering origin of the broad feature blueward of He II {lambda}4338. Based on the atomic calculation, we perform Monte Carlo calculations for the line formation. The scattering region is assumed to be a part of a uniform spherical shell that subtends a solid angle {Delta}{Omega} = {pi} steradian with a neutral column density N{sub HI} = 1.0 x 10{sup 21} cm{sup -2}. By adding a far-UV continuum around He II {lambda}949 normalized by the equivalent width of He II {lambda}949 to be 2.3 Angstrom-Sign , we obtain a good fit for both the Raman scattered He II {lambda}4332 and the broad wings around H{gamma}. Our analysis of the Raman feature blueward of H{gamma} in V1016 Cyg is consistent with the previous study of the Raman features blueward of H{alpha} and H{beta} by Jung and Lee.« less

Using gamma-ray emission to measure areal density of inertial confinement fusion capsulesa)

NASA Astrophysics Data System (ADS)

Hoffman, N. M.; Wilson, D. C.; Herrmann, H. W.; Young, C. S.

2010-10-01

Fusion neutrons streaming from a burning inertial confinement fusion capsule generate gamma rays via inelastic nuclear scattering in the ablator of the capsule. The intensity of gamma-ray emission is proportional to the product of the ablator areal density (ρR) and the yield of fusion neutrons, so by detecting the gamma rays we can infer the ablator areal density, provided we also have a measurement of the capsule's total neutron yield. In plastic-shell capsules, for example, C12 nuclei emit gamma rays at 4.44 MeV after excitation by 14.1 MeV neutrons from D+T fusion. These gamma rays can be measured by a new gamma-ray detector under development. Analysis of predicted signals is in progress, with results to date indicating that the method promises to be useful for diagnosing imploded capsules.

Evidence of coherent $$K^{+}$$ meson production in neutrino-nucleus scattering

DOE PAGES

Wang, Z.

2016-08-05

Neutrino-induced charged-current coherent kaon production ν μA→μ -K +A is a rare, inelastic electroweak process that brings a K + on shell and leaves the target nucleus intact in its ground state. This process is significantly lower in rate than the neutrino-induced charged-current coherent pion production because of Cabibbo suppression and a kinematic suppression due to the larger kaon mass. We search for such events in the scintillator tracker of MINERvA by observing the final state K +, μ -, and no other detector activity, and by using the kinematics of the final state particles to reconstruct the small momentummore » transfer to the nucleus, which is a model-independent characteristic of coherent scattering. Furthermore, we find the first experimental evidence for the process at 3σ significance.« less

Viscoelastic propellant effects on Space Shuttle Dynamics

NASA Technical Reports Server (NTRS)

Bugg, F.

1981-01-01

The program of solid propellant research performed in support of the space shuttle dynamics modeling effort is described. Stiffness, damping, and compressibility of the propellant and the effects of many variables on these properties are discussed. The relationship between the propellant and solid rocket booster dynamics during liftoff and boost flight conditions and the effects of booster vibration and propellant stiffness on free free solid rocket booster modes are described. Coupled modes of the shuttle system and the effect of propellant stiffness on the interfaces of the booster and the external tank are described. A finite shell model of the solid rocket booster was developed.

A Monte Carlo modeling on charging effect for structures with arbitrary geometries

NASA Astrophysics Data System (ADS)

Li, C.; Mao, S. F.; Zou, Y. B.; Li, Yong Gang; Zhang, P.; Li, H. M.; Ding, Z. J.

2018-04-01

Insulating materials usually suffer charging effects when irradiated by charged particles. In this paper, we present a Monte Carlo study on the charging effect caused by electron beam irradiation for sample structures with any complex geometry. When transporting in an insulating solid, electrons encounter elastic and inelastic scattering events; the Mott cross section and a Lorentz-type dielectric function are respectively employed to describe such scatterings. In addition, the band gap and the electron–long optical phonon interaction are taken into account. The electronic excitation in inelastic scattering causes generation of electron–hole pairs; these negative and positive charges establish an inner electric field, which in turn induces the drift of charges to be trapped by impurities, defects, vacancies etc in the solid, where the distributions of trapping sites are assumed to have uniform density. Under charging conditions, the inner electric field distorts electron trajectories, and the surface electric potential dynamically alters secondary electron emission. We present, in this work, an iterative modeling method for a self-consistent calculation of electric potential; the method has advantages in treating any structure with arbitrary complex geometry, in comparison with the image charge method—which is limited to a quite simple boundary geometry. Our modeling is based on: the combination of the finite triangle mesh method for an arbitrary geometry construction; a self-consistent method for the spatial potential calculation; and a full dynamic description for the motion of deposited charges. Example calculations have been done to simulate secondary electron yield of SiO2 for a semi-infinite solid, the charging for a heterostructure of SiO2 film grown on an Au substrate, and SEM imaging of a SiO2 line structure with rough surfaces and SiO2 nanoparticles with irregular shapes. The simulations have explored interesting interlaced charge layer distribution underneath the nanoparticle surface and the mechanism by which it is produced.

Orbital breathing effects in the computation of x-ray d -ion spectra in solids by ab initio wave-function-based methods

DOE PAGES

Bogdanov, Nikolay A.; Bisogni, Valentina; Kraus, Roberto; ...

2016-11-21

In existing theoretical approaches to core-level excitations of transition-metal ions in solids relaxation and polarization effects due to the inner core hole are often ignored or described phenomenologically. Here, we set up an ab initio computational scheme that explicitly accounts for such physics in the calculation of x-ray absorption and resonant inelastic x-ray scattering spectra. Good agreement is found with experimental transition-metal L-edge data for the strongly correlated d 9 cuprate Li 2CuO 2, for which we also determine the absolute scattering intensities. The newly developed methodology opens the way for the investigation of even more complex d n electronicmore » structures of group VI B to VIII B correlated oxide compounds.« less

IRIS : A reaction spectroscopy facility with solid H2 /D2 target

NASA Astrophysics Data System (ADS)

Holl, Matthias; Kanungo, Ritu; Alcorta, Martin; Andreoiu, Corina; Bidaman, Harris; Burbadge, Christina; Burke, Devin; Chen, Alan; Davids, Barry; Diaz Varela, Alejandra; Garrett, Paul; Hackman, Greg; Ishimoto, Shigeru; Kaur, Satbir; Keefe, Matthew; Kruecken, Reiner; Mansour, Iymad; Randhawa, Jaspreet; Sanetullaev, Alisher; Shotter, Alan; Smith, Jenna; Tanaka, Junki; Tanihata, Isao; Turko, Joseph; Workman, Orry

2016-09-01

The charged particle reaction spectroscopy station IRIS at TRIUMF is designed to allow studies of inelastic scattering and transfer reactions for low intensity beams. To do so, a novel solid H2 /D2 target is used in combination with a low pressure ionization chamber for the identification of incoming beam particles. The light ejectiles are measured using a ΔE - E telescope consisting of an annular silicon detector followed by CsI(Tl) array. Another ΔE - E telescope, consisting of two segmented silicon detectors, is used to identify the heavy outgoing particles. An overview of the faciltity will be given and examples from recent experiments that illustrate that facility's capability for reaction studies of exotic nuclei will be shown. Support from Canada Foundation for Innovation, Nova Scotia Research and Innovation Trust and NSERC.

Effect of White Charcoal on COD Reduction in Wastewater Treatment

NASA Astrophysics Data System (ADS)

Pijarn, Nuchanaporn; Butsee, Manipa; Buakul, Kanokwan; Seng, Hasan; Sribuarai, Tinnphat; Phonprasert, Pongtep; Taneeto, Kla; Atthameth, Prasertsil

2017-06-01

The objective of this study is to compare the COD reduction in wastewater between using coconut shell and coconut spathe white charcoal from Khlong Wat NongPra-Ong, Krathumbaen, SamutSakhon province, Thailand. The waste water samples were collected using composite sampling method. The experimental section can be divided into 2 parts. The first part was study the optimum of COD adsorption time using both white charcoals. The second part was study the optimum amount of white charcoal for chemical oxygen demand (COD) reduction. The pre-treatment of wastewater was examined in parameters include temperature, alkalinity (pH), conductivity, turbidity, suspended solid (SS), total dissolved solid (TDS), and COD. The results show that both white charcoals can reduce COD of wastewater. The pH of pre-treatment wastewater had pH 9 but post-treatment wastewaters using both white charcoals have pH 8. The COD of pre-treatment wastewater had COD as 258 mg/L but post-treatment wastewater using coconut shell white charcoal had COD steady at 40 mg/L in 30 min and the amount of white charcoals 4 g. The COD of post-treatment wastewater using coconut spathe white charcoal had COD steady at 71 mg/L in 30 min and the amount of white charcoals 4 g. Therefore comparison of COD reduction between coconut shell white charcoal versus coconut spathe white charcoal found that the coconut shell white charcoal had efficiency for COD reduction better than coconut spathe white charcoal.

Shell morphology and Raman spectra of epitaxial Ge-SixGe1-x and Si-SixGe1-x core-shell nanowires

NASA Astrophysics Data System (ADS)

Wen, Feng; Dillen, David C.; Kim, Kyounghwan; Tutuc, Emanuel

2017-06-01

We investigate the shell morphology and Raman spectra of epitaxial Ge-SixGe1-x and Si-SixGe1-x core-shell nanowire heterostructures grown using a combination of a vapor-liquid-solid (VLS) growth mechanism for the core, followed by in-situ epitaxial shell growth using ultra-high vacuum chemical vapor deposition. Cross-sectional transmission electron microscopy reveals that the VLS growth yields cylindrical Ge, and Si nanowire cores grown along the ⟨111⟩, and ⟨110⟩ or ⟨112⟩ directions, respectively. A hexagonal cross-sectional morphology is observed for Ge-SixGe1-x core-shell nanowires terminated by six {112} facets. Two distinct morphologies are observed for Si-SixGe1-x core-shell nanowires that are either terminated by four {111} and two {100} planes associated with the ⟨110⟩ growth direction or four {113} and two {111} planes associated with the ⟨112⟩ growth direction. We show that the Raman spectra of Si- SixGe1-x are correlated with the shell morphology thanks to epitaxial growth-induced strain, with the core Si-Si mode showing a larger red shift in ⟨112⟩ core-shell nanowires compared to their ⟨110⟩ counterparts. We compare the Si-Si Raman mode value with calculations based on a continuum elasticity model coupled with the lattice dynamic theory.

Comparison between the univariate and multivariate analysis on the partial characterization of the endoglucanase produced in the solid state fermentation by Aspergillus oryzae ATCC 10124.

PubMed

de Brito, Aila Riany; Santos Reis, Nadabe Dos; Silva, Tatielle Pereira; Ferreira Bonomo, Renata Cristina; Trovatti Uetanabaro, Ana Paula; de Assis, Sandra Aparecida; da Silva, Erik Galvão Paranhos; Aguiar-Oliveira, Elizama; Oliveira, Julieta Rangel; Franco, Marcelo

2017-11-26

Endoglucanase production by Aspergillus oryzae ATCC 10124 cultivated in rice husks or peanut shells was optimized by experimental design as a function of humidity, time, and temperature. The optimum temperature for the endoglucanase activity was estimated by a univariate analysis (one factor at the time) as 50°C (rice husks) and 60°C (peanut shells), however, by a multivariate analysis (synergism of factors), it was determined a different temperature (56°C) for endoglucanase from peanut shells. For the optimum pH, values determined by univariate and multivariate analysis were 5 and 5.2 (rice husk) and 5 and 7.6 (peanut shells). In addition, the best half-lives were observed at 50°C as 22.8 hr (rice husks) and 7.3 hr (peanut shells), also, 80% of residual activities was obtained between 30 and 50°C for both substrates, and the pH stability was improved at 5-7 (rice hulls) and 6-9 (peanut shells). Both endoglucanases obtained presented different characteristics as a result of the versatility of fungi in different substrates.

Palladium-platinum core-shell electrocatalysts for oxygen reduction reaction prepared with the assistance of citric acid

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

Zhang, Lulu; Su, Dong; Zhu, Shangqian

Core–shell structure is a promising alternative to solid platinum (Pt) nanoparticles as electrocatalyst for oxygen reduction reaction (ORR) in proton exchange membrane fuel cells (PEMFCs). A simple method of preparing palladium (Pd)–platinum (Pt) core–shell catalysts (Pd@Pt/C) in a gram-batch was developed with the assistance of citric acid. The Pt shell deposition involves three different pathways: galvanic displacement reaction between Pd atoms and Pt cations, chemical reduction by citric acid, and reduction by negative charges on Pd surfaces. The uniform ultrathin (~0.4 nm) Pt shell was characterized by in situ X-ray diffraction (XRD) and high-angle annular dark-field scanning transmission electron microscopymore » (HAADF-STEM) images combined with electron energy loss spectroscopy (EELS). Compared with state-of-the-art Pt/C, the Pd@Pt/C core–shell catalyst showed 4 times higher Pt mass activity and much better durability upon potential cycling. As a result, both the mass activity and durability were comparable to that of Pd@Pt/C synthesized by a Cu-mediated-Pt-displacement method, which is more complicated and difficult for mass production.« less

Nonpolar InGaN/GaN Core-Shell Single Nanowire Lasers.

PubMed

Li, Changyi; Wright, Jeremy B; Liu, Sheng; Lu, Ping; Figiel, Jeffrey J; Leung, Benjamin; Chow, Weng W; Brener, Igal; Koleske, Daniel D; Luk, Ting-Shan; Feezell, Daniel F; Brueck, S R J; Wang, George T

2017-02-08

We report lasing from nonpolar p-i-n InGaN/GaN multi-quantum well core-shell single-nanowire lasers by optical pumping at room temperature. The nanowire lasers were fabricated using a hybrid approach consisting of a top-down two-step etch process followed by a bottom-up regrowth process, enabling precise geometrical control and high material gain and optical confinement. The modal gain spectra and the gain curves of the core-shell nanowire lasers were measured using micro-photoluminescence and analyzed using the Hakki-Paoli method. Significantly lower lasing thresholds due to high optical gain were measured compared to previously reported semipolar InGaN/GaN core-shell nanowires, despite significantly shorter cavity lengths and reduced active region volume. Mode simulations show that due to the core-shell architecture, annular-shaped modes have higher optical confinement than solid transverse modes. The results show the viability of this p-i-n nonpolar core-shell nanowire architecture, previously investigated for next-generation light-emitting diodes, as low-threshold, coherent UV-visible nanoscale light emitters, and open a route toward monolithic, integrable, electrically injected single-nanowire lasers operating at room temperature.

Characterization of preservative and pesticide as potential of bio oil compound from pyrolisis of cocoa shell using gas chromatography

NASA Astrophysics Data System (ADS)

Mashuni, Jahiding, M.; Kurniasih, I.; Zulkaidah

2017-03-01

Cocoa shell is one of the plant waste that has not been widely used. Cocoa shell is potential as a producer of bio oil because it contains lignocellulose. The bio oil of Liquid volatile matter (LVM) is the products of smoke condensation from the pyrolysis reactor. The bio oil of cocoa shell from pyrolysis process can be made as raw materials for the application of pesticide and preservative. The aims of this research were to produce bio oil from cocoa shell by pyrolysis and analyzing the content using Gas Chromatography (GC). Bio oil production was done by pyrolysis with variations of temperature, i.e. 400, 500, 600 and 700 °C. Pyrolysis reaction generates three products: gas, liquid and solid. The yield of bio oil with variations of pyrolisis temperature, i.e. 400, 500, 600 and 700 °C were obtained i.e. 46, 45, 44 and 40% (v/w), respectively. The chromatogram results showed the chemical components of bio oil from the cocoa shell were ammonia, hexane, alcohol, ketone, acid and phenolic compounds which can be used as material of preservative and pesticide.

Nonpolar InGaN/GaN core–shell single nanowire lasers

DOE PAGES

Li, Changyi; Wright, Jeremy Benjamin; Liu, Sheng; ...

2017-01-24

We report lasing from nonpolar p-i-n InGaN/GaN multi-quantum well core–shell single-nanowire lasers by optical pumping at room temperature. The nanowire lasers were fabricated using a hybrid approach consisting of a top-down two-step etch process followed by a bottom-up regrowth process, enabling precise geometrical control and high material gain and optical confinement. The modal gain spectra and the gain curves of the core–shell nanowire lasers were measured using micro-photoluminescence and analyzed using the Hakki-Paoli method. Significantly lower lasing thresholds due to high optical gain were measured compared to previously reported semipolar InGaN/GaN core–shell nanowires, despite significantly shorter cavity lengths and reducedmore » active region volume. Mode simulations show that due to the core–shell architecture, annular-shaped modes have higher optical confinement than solid transverse modes. Furthermore, the results show the viability of this p-i-n nonpolar core–shell nanowire architecture, previously investigated for next-generation light-emitting diodes, as low-threshold, coherent UV–visible nanoscale light emitters, and open a route toward monolithic, integrable, electrically injected single-nanowire lasers operating at room temperature.« less

Palladium-platinum core-shell electrocatalysts for oxygen reduction reaction prepared with the assistance of citric acid

DOE PAGES

Zhang, Lulu; Su, Dong; Zhu, Shangqian; ...

2016-04-26

Core–shell structure is a promising alternative to solid platinum (Pt) nanoparticles as electrocatalyst for oxygen reduction reaction (ORR) in proton exchange membrane fuel cells (PEMFCs). A simple method of preparing palladium (Pd)–platinum (Pt) core–shell catalysts (Pd@Pt/C) in a gram-batch was developed with the assistance of citric acid. The Pt shell deposition involves three different pathways: galvanic displacement reaction between Pd atoms and Pt cations, chemical reduction by citric acid, and reduction by negative charges on Pd surfaces. The uniform ultrathin (~0.4 nm) Pt shell was characterized by in situ X-ray diffraction (XRD) and high-angle annular dark-field scanning transmission electron microscopymore » (HAADF-STEM) images combined with electron energy loss spectroscopy (EELS). Compared with state-of-the-art Pt/C, the Pd@Pt/C core–shell catalyst showed 4 times higher Pt mass activity and much better durability upon potential cycling. As a result, both the mass activity and durability were comparable to that of Pd@Pt/C synthesized by a Cu-mediated-Pt-displacement method, which is more complicated and difficult for mass production.« less

Topology optimization of 3D shell structures with porous infill

NASA Astrophysics Data System (ADS)

Clausen, Anders; Andreassen, Erik; Sigmund, Ole

2017-08-01

This paper presents a 3D topology optimization approach for designing shell structures with a porous or void interior. It is shown that the resulting structures are significantly more robust towards load perturbations than completely solid structures optimized under the same conditions. The study indicates that the potential benefit of using porous structures is higher for lower total volume fractions. Compared to earlier work dealing with 2D topology optimization, we found several new effects in 3D problems. Most notably, the opportunity for designing closed shells significantly improves the performance of porous structures due to the sandwich effect. Furthermore, the paper introduces improved filter boundary conditions to ensure a completely uniform coating thickness at the design domain boundary.

Thermo-Chemical Convection in Europa's Icy Shell with Salinity

NASA Technical Reports Server (NTRS)

Han, L.; Showman, A. P.

2005-01-01

Europa's icy surface displays numerous pits, uplifts, and chaos terrains that have been suggested to result from solid-state thermal convection in the ice shell, perhaps aided by partial melting. However, numerical simulations of thermal convection show that plumes have insufficient buoyancy to produce surface deformation. Here we present numerical simulations of thermochemical convection to test the hypothesis that convection with salinity can produce Europa's pits and domes. Our simulations show that domes (200-300 m) and pits (300-400 m) comparable to the observations can be produced in an ice shell of 15 km thick with 5-10% compositional density variation if the maximum viscosity is less than 10(exp 18) Pa sec. Additional information is included in the original extended abstract.

Observation of hole accumulation in Ge/Si core/shell nanowires using off-axis electron holography.

PubMed

Li, Luying; Smith, David J; Dailey, Eric; Madras, Prashanth; Drucker, Jeff; McCartney, Martha R

2011-02-09

Hole accumulation in Ge/Si core/shell nanowires (NWs) has been observed and quantified using off-axis electron holography and other electron microscopy techniques. The epitaxial [110]-oriented Ge/Si core/shell NWs were grown on Si (111) substrates by chemical vapor deposition through the vapor-liquid-solid growth mechanism. High-angle annular-dark-field scanning transmission electron microscopy images and off-axis electron holograms were obtained from specific NWs. The excess phase shifts measured by electron holography across the NWs indicated the presence of holes inside the Ge cores. Calculations based on a simplified coaxial cylindrical model gave hole densities of (0.4 ± 0.2) /nm(3) in the core regions.

Hybrid excitations due to crystal field, spin-orbit coupling, and spin waves in LiFePO 4

DOE PAGES

Yiu, Yuen; Le, Manh Duc; Toft-Peterson, Rasmus; ...

2017-03-09

Here, we report on the spin waves and crystal field excitations in single crystal LiFePO 4 by inelastic neutron scattering over a wide range of temperatures, below and above the antiferromagnetic transition of this system. In particular, we find extra excitations below T N = 50 K that are nearly dispersionless and are most intense around magnetic zone centers. Furthermore, we show that these excitations correspond to transitions between thermally occupied excited states of Fe 2 + due to splitting of the S = 2 levels that arise from the crystal field and spin-orbit interactions. These excitations are further amplifiedmore » by the highly distorted nature of the oxygen octahedron surrounding the iron atoms. Above T N , magnetic fluctuations are observed up to at least 720 K, with an additional inelastic excitation around 4 meV, which we attribute to single-ion effects, as its intensity weakens slightly at 720 K compared to 100 K, which is consistent with the calculated cross sections using a single-ion model. This theoretical analysis, using the MF-RPA model, provides both detailed spectra of the Fe d shell and estimates of the average ordered magnetic moment and T N . By applying the MF-RPA model to a number of existing spin-wave results from other Li M PO 4 ( M = Mn , Co, and Ni), we are able to obtain reasonable predictions for the moment sizes and transition temperatures.« less

An assessment of finite-element modeling techniques for thick-solid/thin-shell joints analysis

NASA Technical Reports Server (NTRS)

Min, J. B.; Androlake, S. G.

1993-01-01

The subject of finite-element modeling has long been of critical importance to the practicing designer/analyst who is often faced with obtaining an accurate and cost-effective structural analysis of a particular design. Typically, these two goals are in conflict. The purpose is to discuss the topic of finite-element modeling for solid/shell connections (joints) which are significant for the practicing modeler. Several approaches are currently in use, but frequently various assumptions restrict their use. Such techniques currently used in practical applications were tested, especially to see which technique is the most ideally suited for the computer aided design (CAD) environment. Some basic thoughts regarding each technique are also discussed. As a consequence, some suggestions based on the results are given to lead reliable results in geometrically complex joints where the deformation and stress behavior are complicated.

Subdiffusive exciton transport in quantum dot solids.

PubMed

Akselrod, Gleb M; Prins, Ferry; Poulikakos, Lisa V; Lee, Elizabeth M Y; Weidman, Mark C; Mork, A Jolene; Willard, Adam P; Bulović, Vladimir; Tisdale, William A

2014-06-11

Colloidal quantum dots (QDs) are promising materials for use in solar cells, light-emitting diodes, lasers, and photodetectors, but the mechanism and length of exciton transport in QD materials is not well understood. We use time-resolved optical microscopy to spatially visualize exciton transport in CdSe/ZnCdS core/shell QD assemblies. We find that the exciton diffusion length, which exceeds 30 nm in some cases, can be tuned by adjusting the inorganic shell thickness and organic ligand length, offering a powerful strategy for controlling exciton movement. Moreover, we show experimentally and through kinetic Monte Carlo simulations that exciton diffusion in QD solids does not occur by a random-walk process; instead, energetic disorder within the inhomogeneously broadened ensemble causes the exciton diffusivity to decrease over time. These findings reveal new insights into exciton dynamics in disordered systems and demonstrate the flexibility of QD materials for photonic and optoelectronic applications.

Physicochemical characterization of a new pineapple hybrid (FLHORAN41 Cv.).

PubMed

Brat, Pierre; Hoang, Lan Nguyen Thi; Soler, Alain; Reynes, Max; Brillouet, Jean-Marc

2004-10-06

The physicochemical characteristics (pH, total and soluble solids, and titratable acidity), sugars, organic acids, carotenoids, anthocyanins, volatile compounds, and cell wall polysaccharides of a new pineapple hybrid (FLHORAN41 cultivar) were measured throughout maturation and compared with the Smooth Cayenne cv. At full maturity, the FLHORAN41 cv. has a higher titratable acidity and soluble solids content than the Smooth Cayenne cv. The golden yellow flesh and red-orange to scarlet shell of ripe FLHORAN41 cv. fruits are due to carotenoid and anthocyanin levels that are, respectively, 2.5 and 1.5 times higher than those of the flesh and shell of the ripe Smooth Cayenne cv., respectively. During maturation of the FLHORAN41 cv., there was an increase in all classes of aroma compounds (mainly terpene hydrocarbons and esters), although their relative proportions were similar in both cultivars at full maturity. Cell wall polysaccharides undergo little change during maturation.

Gasification of carbonaceous solids

DOEpatents

Coates, Ralph L.

1976-10-26

A process and apparatus for converting coal and other carbonaceous solids to an intermediate heating value fuel gas or to a synthesis gas. A stream of entrained pulverized coal is fed into the combustion stage of a three-stage gasifier along with a mixture of oxygen and steam at selected pressure and temperature. The products of the combustion stage pass into the second or quench stage where they are partially cooled and further reacted with water and/or steam. Ash is solidified into small particles and the formation of soot is suppressed by water/steam injections in the quench stage. The design of the quench stage prevents slag from solidifying on the walls. The products from the quench stage pass directly into a heat recovery stage where the products pass through the tube, or tubes, of a single-pass, shell and tube heat exchanger and steam is generated on the shell side and utilized for steam feed requirements of the process.

Exciton Lines in Luminescence Spectra of NixZn1-xO under Inner Shell Excitation

NASA Astrophysics Data System (ADS)

Churmanov, V. N.; Sokolov, V. I.; Gruzdev, N. B.; Ivanov, V. Yu.; Pustovarov, V. A.

The paper presents the results of the study of two narrow luminescence lines I1 and I2 at the energies of 3.339 and 3.393 eV respectively in NiO and solid state solution Ni0.6Zn0.4O. The luminescence spectroscopy with a sub-nanosecond time resolution upon selective photoexcitation in the energy range of absorption of the inner shells Zn M- and Ni L2,3- edges of Zn- and Ni- ions was used to promote proposed earlier mechanism of origin of luminescence lines I1 and I2. Photoluminescence decay kinetics of NiO and solid state solution Ni0.6Zn0.4O under soft x-ray excitation are discussed. The doublet of I1 and I2 lines is believed to arise due to the radiative annihilation of p-d excitons.

Surface-modified multifunctional MIP nanoparticles.

PubMed

Moczko, Ewa; Poma, Alessandro; Guerreiro, Antonio; Perez de Vargas Sansalvador, Isabel; Caygill, Sarah; Canfarotta, Francesco; Whitcombe, Michael J; Piletsky, Sergey

2013-05-07

The synthesis of core-shell molecularly imprinted polymer nanoparticles (MIP NPs) has been performed using a novel solid-phase approach on immobilised templates. The same solid phase also acts as a protective functionality for high affinity binding sites during subsequent derivatisation/shell formation. This procedure allows for the rapid synthesis, controlled separation and purification of high-affinity materials, with each production cycle taking just 2 hours. The aim of this approach is to synthesise uniformly sized imprinted materials at the nanoscale which can be readily grafted with various polymers without affecting their affinity and specificity. For demonstration purposes we grafted anti-melamine MIP NPs with coatings which introduce the following surface characteristics: high polarity (PEG methacrylate); electro-activity (vinylferrocene); fluorescence (eosin acrylate); thiol groups (pentaerythritol tetrakis(3-mercaptopropionate)). The method has broad applicability and can be used to produce multifunctional imprinted nanoparticles with potential for further application in the biosensors, diagnostics and biomedical fields and as an alternative to natural receptors.

Acoustical scattering by multilayer spherical elastic scatterer containing electrorheological layer.

PubMed

Cai, Liang-Wu; Dacol, Dacio K; Orris, Gregory J; Calvo, David C; Nicholas, Michael

2011-01-01

A computational procedure for analyzing acoustical scattering by multilayer concentric spherical scatterers having an arbitrary mixture of acoustic and elastic materials is proposed. The procedure is then used to analyze the scattering by a spherical scatterer consisting of a solid shell and a solid core encasing an electrorheological (ER) fluid layer, and the tunability in the scattering characteristics afforded by the ER layer is explored numerically. Tunable scatterers with two different ER fluids are analyzed. One, corn starch in peanut oil, shows that a significant increase in scattering cross-section is possible in moderate frequencies. Another, fine poly-methyl methacrylate (PMMA) beads in dodecane, shows only slight change in scattering cross-sections overall. But, when the shell is thin, a noticeable local resonance peak can appear near ka=1, and this resonance can be turned on or off by the external electric field.

Stochastic stimulated electronic x-ray Raman spectroscopy

PubMed Central

Kimberg, Victor; Rohringer, Nina

2016-01-01

Resonant inelastic x-ray scattering (RIXS) is a well-established tool for studying electronic, nuclear, and collective dynamics of excited atoms, molecules, and solids. An extension of this powerful method to a time-resolved probe technique at x-ray free electron lasers (XFELs) to ultimately unravel ultrafast chemical and structural changes on a femtosecond time scale is often challenging, due to the small signal rate in conventional implementations at XFELs that rely on the usage of a monochromator setup to select a small frequency band of the broadband, spectrally incoherent XFEL radiation. Here, we suggest an alternative approach, based on stochastic spectroscopy, which uses the full bandwidth of the incoming XFEL pulses. Our proposed method is relying on stimulated resonant inelastic x-ray scattering, where in addition to a pump pulse that resonantly excites the system a probe pulse on a specific electronic inelastic transition is provided, which serves as a seed in the stimulated scattering process. The limited spectral coherence of the XFEL radiation defines the energy resolution in this process and stimulated RIXS spectra of high resolution can be obtained by covariance analysis of the transmitted spectra. We present a detailed feasibility study and predict signal strengths for realistic XFEL parameters for the CO molecule resonantly pumped at the O1s→π* transition. Our theoretical model describes the evolution of the spectral and temporal characteristics of the transmitted x-ray radiation, by solving the equation of motion for the electronic and vibrational degrees of freedom of the system self consistently with the propagation by Maxwell equations. PMID:26958585

Experimental and analytical studies on the seismic behavior of conventional and hybrid braced frames

NASA Astrophysics Data System (ADS)

Lai, Jiun-Wei

This dissertation summarizes both experimental and analytical studies on the seismic response of conventional steel concentrically braced frame systems of the type widely used in North America, and preliminary studies of an innovative hybrid braced frame system: the Strong-Back System. The research work is part of NEES small group project entitled "International Hybrid Simulation of Tomorrow's Braced Frames." In the experimental phase, a total of four full-scale, one-bay, two-story conventional braced frame specimens with different bracing member section shapes and gusset plate-to-beam connection details were designed and tested at the NEES Berkeley Laboratory. Three braced frame specimens were tested quasi-statically using the same predefined loading protocol to investigate the inelastic cyclic behavior of code-compliant braced frames at both the global and local level. The last braced frame specimen was nearly identical to one of those tested quasi-statically. However, it was tested using hybrid simulation techniques to examine the sensitivity of inelastic behavior on loading sequence and to relate the behavior observed to different levels of seismic hazard. Computer models of the test specimens were developed using two different computer software programs. In the software framework OpenSees fiber-based line elements were used to simulate global buckling of members and yielding and low-cycle fatigue failure at sections. The LS-DYNA analysis program was also used to model individual struts and the test specimens using shell elements with adaptive meshing and element erosion features. This program provided enhanced ability to simulate section local buckling, strain concentrations and crack development. The numerical results were compared with test results to assess and refine and the ability of the models to predict braced frame behavior. A series of OpenSees numerical cyclic component simulations were then conducted using the validated modeling approach. Two hundred and forty pin-ended struts with square hollow structural section shape were simulated under cyclic loading to examine the effect of width-to-thickness ratios and member slenderness ratios on the deformation capacity and energy dissipation characteristics of brace members. The concept of a hybrid system, consisting of a vertical elastic truss or strong-back, and a braced frame that responds inelastically, is proposed herein to mitigate the tendency of weak-story mechanisms to form in conventional steel braced frames. A simple design strategy about member sizing of the proposed Strong-Back System is provided in this study. To assess the ability of the new Strong-Back System to perform well under seismic loading, a series of inelastic analyses were performed considering three six-story hybrid braced frames having different bracing elements, and three six-story conventional brace frames having different brace configurations. Monotonic and cyclic quasi-static inelastic analyses and inelastic time history analyses were carried out. The braced frame system behavior, bracing member force-displacement hysteresis loops, and system residual drifts were the primary response quantities examined. These indicated that the new hybrid system was able to achieve its design goals. Experimental results show for the same loading history that the braced frame specimen using round hollow structural sections as brace members has the largest deformation capacity among the three types of bracing elements studied. Beams connected to gusset plates at the column formed plastic hinges adjacent to the gusset plate. The gusset plates tend to amplify the rotation demands at these locations and stress concentrations tended to result in early fractures of the plastic hinges that form. To remedy this problem, pinned connection details used in the last two specimens; these proved to prevent failures at these locations under both quasi-static and pseudo-dynamic tests. Failure modes observed near the column to base plate connections in all of the specimens suggest the need for further study. Both OpenSees and LS-DYNA models developed in this study predict the global braced frame behavior with acceptable accuracy. In both models, low-cycle fatigue damage models were needed to achieve an acceptable level of fidelity. Shell element models were able to predict local behavior and the mode of failures with greater but not perfect confidence. OpenSees analysis results show that the proposed hybrid braced frames would perform better than conventional braced frames and that the story deformations are more uniform. Finally, future research targets are briefly discussed at the end of this dissertation.

Dry-air-stable lithium silicide-lithium oxide core-shell nanoparticles as high-capacity prelithiation reagents.

PubMed

Zhao, Jie; Lu, Zhenda; Liu, Nian; Lee, Hyun-Wook; McDowell, Matthew T; Cui, Yi

2014-10-03

Rapid progress has been made in realizing battery electrode materials with high capacity and long-term cyclability in the past decade. However, low first-cycle Coulombic efficiency as a result of the formation of a solid electrolyte interphase and Li trapping at the anodes, remains unresolved. Here we report LixSi-Li2O core-shell nanoparticles as an excellent prelithiation reagent with high specific capacity to compensate the first-cycle capacity loss. These nanoparticles are produced via a one-step thermal alloying process. LixSi-Li2O core-shell nanoparticles are processible in a slurry and exhibit high capacity under dry-air conditions with the protection of a Li2O passivation shell, indicating that these nanoparticles are potentially compatible with industrial battery fabrication processes. Both Si and graphite anodes are successfully prelithiated with these nanoparticles to achieve high first-cycle Coulombic efficiencies of 94% to >100%. The LixSi-Li2O core-shell nanoparticles enable the practical implementation of high-performance electrode materials in lithium-ion batteries.

Sonoluminescence in an Acoustically Levitated Water Filled Shell

NASA Astrophysics Data System (ADS)

Rivera, P. J.; Stephens, R. B.; Jones, J. P.

1998-11-01

The possibility of using shells levitated by acoustic waves to improve the conditions to study sonoluminescence was conducted. Single bubble sonoluminescence (SBSL) was generated using a 2 mm diameter water filled plastic shell, supported in air with 1 MHz sound waves. The bubble was generated and compressed with a separate transducer emitting pulsed 5 MHz acoustic waves which were focussed on the center of the suspended shell. This approach is considerably different from the typical generation technique of SBSL in that the acoustic power is coupled through the air rather than by a solid bond to the container. With this configuration, the water container can be substantially reduced in size and the luminescence pulse rate is probably not connected with cavity resonances. As a result, optical access to the spark is improved, water attenuation is reduced (water thickness ~1 mm), and repetition rate can be considerably higher. This geometry presents problems and opportunities in controlling the gas content and temperature of the water. It might also be sensitive to the perfection of the enclosing plastic shell, so success is erratic. Details will be discussed.

Size-dependent melting modes and behaviors of Ag nanoparticles: a molecular dynamics study

NASA Astrophysics Data System (ADS)

Liang, Tianshou; Zhou, Dejian; Wu, Zhaohua; Shi, Pengpeng

2017-12-01

The size-dependent melting behaviors and mechanisms of Ag nanoparticles (NPs) with diameters of 3.5-16 nm were investigated by molecular dynamics (MD). Two distinct melting modes, non-premelting and premelting with transition ranges of about 7-8 nm, for Ag NPs were demonstrated via the evolution of distribution and transition of atomic physical states during annealing. The small Ag NPs (3.5-7 nm) melt abruptly without a stable liquid shell before the melting point, which is characterized as non-premelting. A solid-solid crystal transformation is conducted through the migration of adatoms on the surface of Ag NPs with diameters of 3.5-6 nm before the initial melting, which is mainly responsible for slightly increasing the melting point of Ag NPs. On the other hand, surface premelting of Ag NPs with diameters of 8-16 nm propagates from the outer shell to the inner core with initial anisotropy and late isotropy as the temperature increases, and the close-packed facets {111} melt by a side-consumed way which is responsible for facets {111} melting in advance relative to the crystallographic plane {111}. Once a stable liquid shell is formed, its size-independent minimum thickness is obtained, and a three-layer structure of atomic physical states is set up. Lastly, the theory of point defect-pair (vacancy-interstitial) severing as the mechanism of formation and movement of the solid-liquid interface was also confirmed. Our study provides a basic understanding and theoretical guidance for the research, production and application of Ag NPs.

Kinetic theory of shear thickening for a moderately dense gas-solid suspension: From discontinuous thickening to continuous thickening

NASA Astrophysics Data System (ADS)

Hayakawa, Hisao; Takada, Satoshi; Garzó, Vicente

2017-10-01

The Enskog kinetic theory for moderately dense gas-solid suspensions under simple shear flow is considered as a model to analyze the rheological properties of the system. The influence of the environmental fluid on solid particles is modeled via a viscous drag force plus a stochastic Langevin-like term. The Enskog equation is solved by means of two independent but complementary routes: (i) Grad's moment method and (ii) event-driven Langevin simulation of hard spheres. Both approaches clearly show that the flow curve (stress-strain rate relation) depends significantly on the volume fraction of the solid particles. In particular, as the density increases, there is a transition from the discontinuous shear thickening (observed in dilute gases) to the continuous shear thickening for denser systems. The comparison between theory and simulations indicates that while the theoretical predictions for the kinetic temperature agree well with simulations for densities φ ≲0.5 , the agreement for the other rheological quantities (the viscosity, the stress ratio, and the normal stress differences) is limited to more moderate densities (φ ≲0.3 ) if the inelasticity during collisions between particles is not large.

Kinetic theory of shear thickening for a moderately dense gas-solid suspension: From discontinuous thickening to continuous thickening.

PubMed

Hayakawa, Hisao; Takada, Satoshi; Garzó, Vicente

2017-10-01

The Enskog kinetic theory for moderately dense gas-solid suspensions under simple shear flow is considered as a model to analyze the rheological properties of the system. The influence of the environmental fluid on solid particles is modeled via a viscous drag force plus a stochastic Langevin-like term. The Enskog equation is solved by means of two independent but complementary routes: (i) Grad's moment method and (ii) event-driven Langevin simulation of hard spheres. Both approaches clearly show that the flow curve (stress-strain rate relation) depends significantly on the volume fraction of the solid particles. In particular, as the density increases, there is a transition from the discontinuous shear thickening (observed in dilute gases) to the continuous shear thickening for denser systems. The comparison between theory and simulations indicates that while the theoretical predictions for the kinetic temperature agree well with simulations for densities φ≲0.5, the agreement for the other rheological quantities (the viscosity, the stress ratio, and the normal stress differences) is limited to more moderate densities (φ≲0.3) if the inelasticity during collisions between particles is not large.

Atomic kinetic energy, momentum distribution, and structure of solid neon at zero temperature

NASA Astrophysics Data System (ADS)

Cazorla, C.; Boronat, J.

2008-01-01

We report on the calculation of the ground-state atomic kinetic energy Ek and momentum distribution of solid Ne by means of the diffusion Monte Carlo method and Aziz HFD-B pair potential. This approach is shown to perform notably for this crystal since we obtain very good agreement with respect to experimental thermodynamic data. Additionally, we study the structural properties of solid Ne at densities near the equilibrium by estimating the radial pair-distribution function, Lindemann’s ratio, and atomic density profile around the positions of the perfect crystalline lattice. Our value for Ek at the equilibrium density is 41.51(6)K , which agrees perfectly with the recent prediction made by Timms , 41(2)K , based on their deep-inelastic neutron scattering experiments carried out over the temperature range 4-20K , and also with previous path integral Monte Carlo results obtained with the Lennard-Jones and Aziz HFD-C2 atomic pairwise interactions. The one-body density function of solid Ne is calculated accurately and found to fit perfectly, within statistical uncertainty, to a Gaussian curve. Furthermore, we analyze the degree of anharmonicity of solid Ne by calculating some of its microscopic ground-state properties within traditional harmonic approaches. We provide insightful comparison to solid He4 in terms of the Debye model in order to assess the relevance of anharmonic effects in Ne.

GaAs core--shell nanowires for photovoltaic applications.

PubMed

Czaban, Josef A; Thompson, David A; LaPierre, Ray R

2009-01-01

We report the use of Te as an n-type dopant in GaAs core-shell p-n junction nanowires for use in photovoltaic devices. Te produced significant change in the morphology of GaAs nanowires grown by the vapor-liquid-solid process in a molecular beam epitaxy system. The increase in radial growth of nanowires due to the surfactant effect of Te had a significant impact on the operating characteristics of photovoltaic devices. A decrease in solar cell efficiency occurred when the Te-doped GaAs growth duration was increased.

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

Kaur, Maninder; Dai, Qilin; Bowden, Mark E.

Chromium (Cr) forms a solid solution with iron (Fe) lattice when doped in core-shell iron -iron oxide nanocluster (NC) and shows a mixed phase of sigma (σ) FeCr and bcc Fe. The Cr dopant affects heavily the magnetization and magnetic reversal process, and causes the hysteresis loop to shrink near the zero field axis. Dramatic transformation happens from dipolar interaction (0 at. % Cr) to strong exchange interaction (8 at. % of Cr) is confirmed from the Henkel plot and delta M plot, and is explained by a water-melon model of core-shell NC system.

Atomic-level simulation of ferroelectricity in perovskite solid solutions

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

Sepliarsky, M.; Instituto de Fisica Rosario, CONICET-UNR, Rosario,; Phillpot, S. R.

2000-06-26

Building on the insights gained from electronic-structure calculations and from experience obtained with an earlier atomic-level method, we developed an atomic-level simulation approach based on the traditional Buckingham potential with shell model which correctly reproduces the ferroelectric phase behavior and dielectric and piezoelectric properties of KNbO{sub 3}. This approach now enables the simulation of solid solutions and defected systems; we illustrate this capability by elucidating the ferroelectric properties of a KTa{sub 0.5}Nb{sub 0.5}O{sub 3} random solid solution. (c) 2000 American Institute of Physics.

Analysis and Modeling of Structure Formation in Granular and Fluid-Solid Flows

NASA Astrophysics Data System (ADS)

Murphy, Eric

Granular and multiphase flows are encountered in a number of industrial processes with particular emphasis in this manuscript given to the particular applications in cement pumping, pneumatic conveying, fluid catalytic cracking, CO2 capture, and fast pyrolysis of bio-materials. These processes are often modeled using averaged equations that may be simulated using computational fluid dynamics. Closure models are then required that describe the average forces that arise from both interparticle interactions, e.g. shear stress, and interphase interactions, such as mean drag. One of the biggest hurdles to this approach is the emergence of non-trivial spatio-temporal structures in the particulate phase, which can significantly modify the qualitative behavior of these forces and the resultant flow phenomenology. For example, the formation of large clusters in cohesive granular flows is responsible for a transition from solid-like to fluid-like rheology. Another example is found in gas-solid systems, where clustering at small scales is observed to significantly lower in the observed drag. Moreover, there remains the possibility that structure formation may occur at all scales, leading to a lack of scale separation required for traditional averaging approaches. In this context, several modeling problems are treated 1) first-principles based modeling of the rheology of cement slurries, 2) modeling the mean solid-solid drag experienced by polydisperse particles undergoing segregation, and 3) modeling clustering in homogeneous gas-solid flows. The first and third components are described in greater detail. In the study on the rheology of cements, several sub-problems are introduced, which systematically increase in the number and complexity of interparticle interactions. These interparticle interactions include inelasticity, friction, cohesion, and fluid interactions. In the first study, the interactions between cohesive inelastic particles was fully characterized for the first time. Next, kinetic theory was used to predict the cooling of a gas of such particles. DEM was then used to validate this approach. A study on the rheology of dry cohesive granules with and without friction was then carried out, where the physics of different flow phenomenology was exhaustively explored. Lastly, homogeneous cement slurry simulations were carried out, and compared with vane-rheometer experiments. Qualitative agreement between simulation and experiment were observed. Lastly, the physics of clustering in homogeneous gas-solid flows is explored in the hopes of gaining a mechanistic explanation of how particle-fluid interactions lead to clustering. Exact equations are derived, detailing the evolution of the two particle density, which may be closed using high-fidelity particle-resolved direct numerical simulation. Two canonical gas-solid flows are then addressed, the homogeneously cooling gas-solid flow (HCGSF) and sedimenting gas-solid flow (SGSF). A mechanism responsible for clustering in the HCGSF is identified. Clustering of plane-wave like structures is observed in the SGSF, and the exact terms are quantified. A method for modeling the dynamics of clustering in these systems is proposed, which may aid in the prediction of clustering and other correlation length-scales useful for less expensive computations.

Collectivity of light Ge and As isotopes

NASA Astrophysics Data System (ADS)

Corsi, A.; Delaroche, J.-P.; Obertelli, A.; Baugher, T.; Bazin, D.; Boissinot, S.; Flavigny, F.; Gade, A.; Girod, M.; Glasmacher, T.; Grinyer, G. F.; Korten, W.; Libert, J.; Ljungvall, J.; McDaniel, S.; Ratkiewicz, A.; Signoracci, A.; Stroberg, R.; Sulignano, B.; Weisshaar, D.

2013-10-01

Background: The self-conjugate nuclei of the A˜70 mass region display rapid shape evolution over isotopic or isotonic chains. Shape coexistence has been observed in Se and Kr isotopes reflecting the existence of deformed subshell gaps corresponding to different shell configurations. As and Ge isotopes are located halfway between such deformed nuclei and the Z=28 shell closure.Purpose: The present work aims at clarifying the low-lying spectroscopy of 66Ge and 67As, and providing a better insight into the evolution of collectivity in light even-even Ge and even-odd As isotopes.Methods: We investigate the low-lying levels and collectivity of the neutron deficient 67As and 66Ge through intermediate-energy Coulomb excitation, inelastic scattering, and proton knockout measurements. The experiment was performed using a cocktail beam of 68Se, 67As, and 66Ge nuclei at an energy of 70-80 MeV/nucleon. Spectroscopic properties of the low-lying states are compared to those calculated via shell model with the JUN45 interaction and beyond-mean-field calculations with the five-dimensional collective Hamiltonian method implemented using the Gogny D1S interaction. The structure evolution of the lower-mass Ge and As isotopes is discussed.Results: Reduced electric quadrupole transition probabilities B(E2) have been extracted from the Coulomb-excitation cross sections measured in 66Ge and 67As. The value obtained for the B(E2;01+→21+) in 66Ge is in agreement with a recent measurement, ruling out the existence of a minimum at N=34 in the B(E2) systematics as previously observed. New transitions have been found in 67As and were assigned to the decay of low-lying negative-parity states.

2013 MOLECULAR ENERGY TRANSFER GORDON RESEARCH CONFERENCE (JANUARY 13-18, 2013 - VENTURA BEACH MARRIOTT, VENTURA CA

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

Reid, Scott A.

2012-10-18

Sessions covered all areas of molecular energy transfer, with 10 sessions of talks and poster sessions covering the areas of :  Energy Transfer in Inelastic and Reactive Scattering  Energy Transfer in Photoinitiated and Unimolecular Reactions  Non-adiabatic Effects in Energy Transfer  Energy Transfer at Surfaces and Interfaces  Energy Transfer in Clusters, Droplets, and Aerosols  Energy Transfer in Solution and Solid  Energy Transfer in Complex Systems  Energy Transfer: New vistas and horizons  Molecular Energy Transfer: Where Have We Been and Where are We Going?

Applications of beam-foil spectroscopy to atomic collisions in solids

NASA Technical Reports Server (NTRS)

Sellin, I. A.

1976-01-01

Some selected papers presented at the Fourth International Conference on Beam-Foil Spectroscopy, whose results are of particular pertinence to ionic collision phenomena in solids, are reviewed. The topics discussed include solid target effects and means of surmounting them in the measurement of excited projectile ion lifetimes for low-energy heavy element ions; the electron emission accompanying the passage of heavy particles through solid targets; the collision broadening of X rays emitted from 100 keV ions moving in solids; residual K-shell excitation in chlorine ions penetrating carbon; comparison between 40 MeV Si on gaseous SiH4 targets at 300 mtorr and 40 MeV Si on Al; and the emergent surface interaction in beam-foil spectroscopy. A distinct overlap of interests between the sciences of beam-foil spectroscopy and atomic collisions in solids is pointed out.

Control of the Speed of a Light-Induced Spin Transition through Mesoscale Core-Shell Architecture.

PubMed

Felts, Ashley C; Slimani, Ahmed; Cain, John M; Andrus, Matthew J; Ahir, Akhil R; Abboud, Khalil A; Meisel, Mark W; Boukheddaden, Kamel; Talham, Daniel R

2018-05-02

The rate of the light-induced spin transition in a coordination polymer network solid dramatically increases when included as the core in mesoscale core-shell particles. A series of photomagnetic coordination polymer core-shell heterostructures, based on the light-switchable Rb a Co b [Fe(CN) 6 ] c · mH 2 O (RbCoFe-PBA) as core with the isostructural K j Ni k [Cr(CN) 6 ] l · nH 2 O (KNiCr-PBA) as shell, are studied using temperature-dependent powder X-ray diffraction and SQUID magnetometry. The core RbCoFe-PBA exhibits a charge transfer-induced spin transition (CTIST), which can be thermally and optically induced. When coupled to the shell, the rate of the optically induced transition from low spin to high spin increases. Isothermal relaxation from the optically induced high spin state of the core back to the low spin state and activation energies associated with the transition between these states were measured. The presence of a shell decreases the activation energy, which is associated with the elastic properties of the core. Numerical simulations using an electro-elastic model for the spin transition in core-shell particles supports the findings, demonstrating how coupling of the core to the shell changes the elastic properties of the system. The ability to tune the rate of optically induced magnetic and structural phase transitions through control of mesoscale architecture presents a new approach to the development of photoswitchable materials with tailored properties.

Characterizing inner-shell with spectral phase interferometry for direct electric-field reconstruction

PubMed Central

Mashiko, Hiroki; Yamaguchi, Tomohiko; Oguri, Katsuya; Suda, Akira; Gotoh, Hideki

2014-01-01

In many atomic, molecular and solid systems, Lorentzian and Fano profiles are commonly observed in a broad research fields throughout a variety of spectroscopies. As the profile structure is related to the phase of the time-dependent dipole moment, it plays an important role in the study of quantum properties. Here we determine the dipole phase in the inner-shell transition using spectral phase interferometry for direct electric-field reconstruction (SPIDER) with isolated attosecond pulses (IAPs). In addition, we propose a scheme for pulse generation and compression by manipulating the inner-shell transition. The electromagnetic radiation generated by the transition is temporally compressed to a few femtoseconds in the extreme ultraviolet (XUV) region. The proposed pulse-compression scheme may provide an alternative route to producing attosecond pulses of light. PMID:25510971

Three-phase flow? Consider helical-coil heat exchangers

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

Haraburda, S.S.

1995-07-01

In recent years, chemical process plants are increasingly encountering processes that require heat exchange in three-phase fluids. A typical application, for example, is heating liquids containing solid catalyst particles and non-condensable gases. Heat exchangers designed for three-phase flow generally have tubes with large diameters (typically greater than two inches), because solids can build-up inside the tube and lead to plugging. At the same time, in order to keep heat-transfer coefficients high, the velocity of the process fluid within the tube should also be high. As a result, heat exchangers for three-phase flow may require less than five tubes -- eachmore » having a required linear length that could exceed several hundred feet. Given these limitations, it is obvious that a basic shell-and-tube heat exchanger is not the most practical solution for this purpose. An alternative for three-phase flow is a helical-coil heat exchanger. The helical-coil units offer a number of advantages, including perpendicular, counter-current flow and flexible overall dimensions for the exchanger itself. The paper presents equations for: calculating the tube-side heat-transfer coefficient; calculating the shell-side heat-transfer coefficient; calculating the heat-exchanger size; calculating the tube-side pressure drop; and calculating shell-side pressure-drop.« less

Geometrically Nonlinear Finite Element Analysis of a Composite Space Reflector

NASA Technical Reports Server (NTRS)

Lee, Kee-Joo; Leet, Sung W.; Clark, Greg; Broduer, Steve (Technical Monitor)

2001-01-01

Lightweight aerospace structures, such as low areal density composite space reflectors, are highly flexible and may undergo large deflection under applied loading, especially during the launch phase. Accordingly, geometrically nonlinear analysis that takes into account the effect of finite rotation may be needed to determine the deformed shape for a clearance check and the stress and strain state to ensure structural integrity. In this study, deformation of the space reflector is determined under static conditions using a geometrically nonlinear solid shell finite element model. For the solid shell element formulation, the kinematics of deformation is described by six variables that are purely vector components. Because rotational angles are not used, this approach is free of the limitations of small angle increments. This also allows easy connections between substructures and large load increments with respect to the conventional shell formulation using rotational parameters. Geometrically nonlinear analyses were carried out for three cases of static point loads applied at selected points. A chart shows results for a case when the load is applied at the center point of the reflector dish. The computed results capture the nonlinear behavior of the composite reflector as the applied load increases. Also, they are in good agreement with the data obtained by experiments.

Measurement of the Neutron F2 Structure Function via Spectator Tagging with CLAS

NASA Astrophysics Data System (ADS)

Baillie, N.; Tkachenko, S.; Zhang, J.; Bosted, P.; Bültmann, S.; Christy, M. E.; Fenker, H.; Griffioen, K. A.; Keppel, C. E.; Kuhn, S. E.; Melnitchouk, W.; Tvaskis, V.; Adhikari, K. P.; Adikaram, D.; Aghasyan, M.; Amaryan, M. J.; Anghinolfi, M.; Arrington, J.; Avakian, H.; Baghdasaryan, H.; Battaglieri, M.; Biselli, A. S.; Branford, D.; Briscoe, W. J.; Brooks, W. K.; Burkert, V. D.; Carman, D. S.; Celentano, A.; Chandavar, S.; Charles, G.; Cole, P. L.; Contalbrigo, M.; Crede, V.; D'Angelo, A.; Daniel, A.; Dashyan, N.; De Vita, R.; De Sanctis, E.; Deur, A.; Dey, B.; Djalali, C.; Dodge, G.; Domingo, J.; Doughty, D.; Dupre, R.; Dutta, D.; Ent, R.; Egiyan, H.; El Alaoui, A.; El Fassi, L.; Elouadrhiri, L.; Eugenio, P.; Fedotov, G.; Fegan, S.; Fradi, A.; Gabrielyan, M. Y.; Gevorgyan, N.; Gilfoyle, G. P.; Giovanetti, K. L.; Girod, F. X.; Gohn, W.; Golovatch, E.; Gothe, R. W.; Graham, L.; Guegan, B.; Guidal, M.; Guler, N.; Guo, L.; Hafidi, K.; Heddle, D.; Hicks, K.; Holtrop, M.; Hungerford, E.; Hyde, C. E.; Ilieva, Y.; Ireland, D. G.; Ispiryan, M.; Isupov, E. L.; Jawalkar, S. S.; Jo, H. S.; Kalantarians, N.; Khandaker, M.; Khetarpal, P.; Kim, A.; Kim, W.; King, P. M.; Klein, A.; Klein, F. J.; Klimenko, A.; Kubarovsky, V.; Kuleshov, S. V.; Kvaltine, N. D.; Livingston, K.; Lu, H. Y.; MacGregor, I. J. D.; Mao, Y.; Markov, N.; McKinnon, B.; Mineeva, T.; Morrison, B.; Moutarde, H.; Munevar, E.; Nadel-Turonski, P.; Ni, A.; Niccolai, S.; Niculescu, I.; Niculescu, G.; Osipenko, M.; Ostrovidov, A. I.; Pappalardo, L.; Park, K.; Park, S.; Pasyuk, E.; Anefalos Pereira, S.; Pisano, S.; Pozdniakov, S.; Price, J. W.; Procureur, S.; Prok, Y.; Protopopescu, D.; Raue, B. A.; Ricco, G.; Rimal, D.; Ripani, M.; Rosner, G.; Rossi, P.; Sabatié, F.; Saini, M. S.; Salgado, C.; Schott, D.; Schumacher, R. A.; Seder, E.; Sharabian, Y. G.; Sober, D. I.; Sokhan, D.; Stepanyan, S.; Stepanyan, S. S.; Stoler, P.; Strauch, S.; Taiuti, M.; Tang, W.; Ungaro, M.; Vineyard, M. F.; Voutier, E.; Watts, D. P.; Weinstein, L. B.; Weygand, D. P.; Wood, M. H.; Zana, L.; Zhao, B.

2012-04-01

We report on the first measurement of the F2 structure function of the neutron from the semi-inclusive scattering of electrons from deuterium, with low-momentum protons detected in the backward hemisphere. Restricting the momentum of the spectator protons to ≲100MeV/c and their angles to ≳100° relative to the momentum transfer allows an interpretation of the process in terms of scattering from nearly on-shell neutrons. The F2n data collected cover the nucleon-resonance and deep-inelastic regions over a wide range of Bjorken x for 0.65

N+6Li system with flexible cluster wave function

NASA Astrophysics Data System (ADS)

Stubeda, D. J.; Fujiwara, Y.; Tang, Y. C.

1982-12-01

The n+6Li and p+6Li systems are studied with the single-channel resonating-group method. The 6Li internal wave function used is either a single translationally-invariant harmonic-oscillator shell-model function or a superposition of two such functions. The result shows that the main features of this system do not depend sensitively on which of these functions is employed, although significant differences in cross-section values do appear at backward angles. The fit to experimental data is only fair, indicating that the present calculation should be refined by including the N+6Li*(3+) inelastic channel, by taking into better account d+α clustering in 6Li, by carefully considering the effect of specific distortion, and by, perhaps, also adopting a noncentral nucleon-nucleon potential in the formulation. NUCLEAR REACTIONS 6Li(p, p), 6Li(n, n) calculated phase shifts and σ(θ). Resonating-group method with complex-generator-coordinate technique.

Measurement of the neutron F 2 structure function via spectator tagging with CLAS

DOE PAGES

Baillie, N.; Tkachenko, S.; Zhang, J.; ...

2012-04-01

We report on the first measurement of the F 2 structure function of the neutron from semi-inclusive scattering of electrons from deuterium, with low-momentum protons detected in the backward hemisphere. Restricting the momentum of the spectator protons to ≈< 100 MeV and their angles to ≈> 100 degrees relative to the momentum transfer allows an interpretation of the process in terms of scattering from nearly on-shell neutrons. The F 2 n data collected cover the nucleon resonance and deep-inelastic regions over a wide range of x for 0.65 < Q 2 < 4.52 GeV 2, with uncertainties from nuclear correctionsmore » estimated to be less than a few percent. These measurements provide the first determination of the neutron to proton structure function ratio F 2 n/F 2 p at 0.2 ≈< x ≈< 0.8, essentially free of nuclear corrections.« less

Resonant inelastic x-ray scattering and UV-VUV luminescence at the Be 1s edge in BeO.

PubMed

Kikas, A; Käämbre, T; Kooser, K; Kuusik, I; Kisand, V; Nõmmiste, E; Kirm, M; Feldbach, E; Ivanov, V; Pustovarov, V; Martinson, I

2010-09-22

We carried out a combined study of UV-VUV luminescence and resonant x-ray emission from BeO single crystals with incident photon energies in the vicinity of the Be 1s absorption edge. The x-ray emission spectra show that at the Be 1s photoabsorption edge the lattice relaxation processes in the excitation site take place already on the timescale of the radiative decay of the core excitation. Comparison of the x-ray emission and the luminescence spectra indicates that the maximum energy loss of the process of lattice relaxation during the decay of inner-shell holes is similar to the loss that occurs in the self-trapping process of valence excitons. The possible decay channels of core excitations have been discussed and the mechanism for the creation of 5.2 eV luminescence at the photoabsorption resonances has been suggested.

Tidal Amplitude Delta Factors and Phase Shifts for an Oceanic Earth

NASA Astrophysics Data System (ADS)

Spiridonov, E. A.

2017-12-01

M.S. Molodenskiy's problem, which describes the state of an elastic self-gravitating compressible sphere, is generalized to the case of a biaxial hydrostatically equilibrium rotating elliptical inelastic shell. The system of sixth-order equations is supplemented with corrections due to the relative and Coriolis accelerations. The ordinary and load Love numbers of degree 2 are calculated with allowance for their latitude dependence and dissipation for different models of the Earth's structure (the AK135, IASP91, and PREM models). The problem is solved by Love's method. The theoretical amplitude delta factors and phase shifts of second-order tidal waves for an oceanic Earth are compared with their most recent empirical counterparts obtained by the GGP network superconducting gravimeters. In particular, it is shown that a good matching (up to the fourth decimal place) of the theoretical and observed amplitude factors of semidiurnal tides does not require the application of the nonhydrostatic theory.

Enhanced collectivity in 12Be

NASA Astrophysics Data System (ADS)

Morse, C.; McCutchan, E. A.; Iwasaki, H.; Lister, C. J.; Bader, V. M.; Bazin, D.; Beceiro Novo, S.; Chowdhury, P.; Gade, A.; Johnson, T. D.; Loelius, C.; Lunderberg, E.; Merchan, E.; Prasher, V. S.; Recchia, F.; Sonzogni, A. A.; Weisshaar, D.; Whitmore, K.

2018-05-01

Electromagnetic quadrupole transition strength is a sensitive probe of the evolution of the structure of nuclei, particularly the competition between collectivity and magicity. We have performed a new lifetime measurement of the 21+ state of 12Be to study the interplay of these phenomena. The lifetime was measured with the Doppler Shift Attenuation Method using the γ-ray detector GRETINA. Excited states of 12Be were produced via inelastic scattering at 55 MeV/nucleon, using several different targets to control for systematic uncertainties in the stopping powers. The lifetime is determined to be τ = 1.38 ± 0.10(stat) ± 0.19(sys) ps, which is about half the previously reported value at twice the precision. The reduced transition strength deduced from this result is B (E 2 ;21+ → 01+) = 14.2 ± 1.0(stat) ± 2.0(sys) e2fm4, which supports the quenching of the N = 8 shell gap in 12Be.

The influence of the local structure on proton transport in a solid oxide proton conductor La 0.8 Ba 1.2 GaO 3.9

DOE PAGES

Cheng, Yongqiang; Balachandran, Janakiraman; Bi, Zhonghe; ...

2017-07-18

The local structure around the mobile ions influences their dynamics. The knowledge about the relationship between these properties is of fundamental importance and may lead the way for development of improved solid state ionic conductors. Here, we use inelastic neutron scattering and ab initio modeling to study a representative proton conductor, La 0.8Ba 1.2GaO 3.9, where different local structures are possible for the same stoichiometry. The intrinsic correlations between the local bonding environment and the dynamical behavior of protons are presented. In particular, we identify how the local Ba/La concentration affects the proton vibrational frequencies, hydrogen bond strength, O–H rotationsmore » and in turn long-range proton mobility. Furthermore, possible mechanism for proton transport, through the inter-tetrahedral bond switching, O–H rotations and tetrahedral reorientation is anticipated.« less

Application of parallel distributed Lagrange multiplier technique to simulate coupled Fluid-Granular flows in pipes with varying Cross-Sectional area

DOE PAGES

Kanarska, Yuliya; Walton, Otis

2015-11-30

Fluid-granular flows are common phenomena in nature and industry. Here, an efficient computational technique based on the distributed Lagrange multiplier method is utilized to simulate complex fluid-granular flows. Each particle is explicitly resolved on an Eulerian grid as a separate domain, using solid volume fractions. The fluid equations are solved through the entire computational domain, however, Lagrange multiplier constrains are applied inside the particle domain such that the fluid within any volume associated with a solid particle moves as an incompressible rigid body. The particle–particle interactions are implemented using explicit force-displacement interactions for frictional inelastic particles similar to the DEMmore » method with some modifications using the volume of an overlapping region as an input to the contact forces. Here, a parallel implementation of the method is based on the SAMRAI (Structured Adaptive Mesh Refinement Application Infrastructure) library.« less

Optimization of anisotropic photonic density of states for Raman cooling of solids

NASA Astrophysics Data System (ADS)

Chen, Yin-Chung; Ghosh, Indronil; Schleife, André; Carney, P. Scott; Bahl, Gaurav

2018-04-01

Optical refrigeration of solids holds tremendous promise for applications in thermal management. It can be achieved through multiple mechanisms including inelastic anti-Stokes Brillouin and Raman scattering. However, engineering of these mechanisms remains relatively unexplored. The major challenge lies in the natural unfavorable imbalance in transition rates for Stokes and anti-Stokes scattering. We consider the influence of anisotropic photonic density of states on Raman scattering and derive expressions for cooling in such photonically anisotropic systems. We demonstrate optimization of the Raman cooling figure of merit considering all possible orientations for the material crystal and two example photonic crystals. We find that the anisotropic description of the photonic density of states and the optimization process is necessary to obtain the best Raman cooling efficiency for systems having lower symmetry. This general result applies to a wide array of other laser cooling methods in the presence of anisotropy.

Strategies and limitations for fluorescence detection of XAFS at high flux beamlines

DOE PAGES

Heald, Steve M.

2015-02-17

The issue of detecting the XAFS signal from dilute samples is discussed in detail with the aim of making best use of high flux beamlines that provide up to 10 13 photons -1. Various detection methods are compared, including filters with slits, solid state detectors, crystal analyzers and combinations of these. These comparisons rely on simulations that use experimentally determined parameters. It is found that inelastic scattering places a fundamental limit on detection, and that it is important to take proper account of the polarization dependence of the signals. The combination of a filter–slit system with a solid state detectormore » is a promising approach. With an optimized system good performance can be obtained even if the total count rate is limited to 10 7 Hz. Detection schemes with better energy resolution can help at the largest dilutions if their collection efficiency and count rate limits can be improved.« less

Strategies and limitations for fluorescence detection of XAFS at high flux beamlines

PubMed Central

Heald, Steve M.

2015-01-01

The issue of detecting the XAFS signal from dilute samples is discussed in detail with the aim of making best use of high flux beamlines that provide up to 1013 photons s−1. Various detection methods are compared, including filters with slits, solid state detectors, crystal analyzers and combinations of these. These comparisons rely on simulations that use experimentally determined parameters. It is found that inelastic scattering places a fundamental limit on detection, and that it is important to take proper account of the polarization dependence of the signals. The combination of a filter–slit system with a solid state detector is a promising approach. With an optimized system good performance can be obtained even if the total count rate is limited to 107 Hz. Detection schemes with better energy resolution can help at the largest dilutions if their collection efficiency and count rate limits can be improved. PMID:25723945

Micromechanical analysis of thermo-inelastic multiphase short-fiber composites

NASA Technical Reports Server (NTRS)

Aboudi, Jacob

1994-01-01

A micromechanical formulation is presented for the prediction of the overall thermo-inelastic behavior of multiphase composites which consist of short fibers. The analysis is an extension of the generalized method of cells that was previously derived for inelastic composites with continuous fibers, and the reliability of which was critically examined in several situations. The resulting three dimensional formulation is extremely general, wherein the analysis of thermo-inelastic composites with continuous fibers as well as particulate and porous inelastic materials are merely special cases.

In Situ Hydrothermally Grown TiO2@C Core-Shell Nanowire Coating for Highly Sensitive Solid Phase Microextraction of Polycyclic Aromatic Hydrocarbons.

PubMed

Wang, Fuxin; Zheng, Juan; Qiu, Junlang; Liu, Shuqin; Chen, Guosheng; Tong, Yexiang; Zhu, Fang; Ouyang, Gangfeng

2017-01-18

Nanostructured materials have great potential for solid phase microextraction (SPME) on account of their tiny size, distinct architectures and superior physical and chemical properties. Herein, a core-shell TiO 2 @C fiber for SPME was successfully fabricated by the simple hydrothermal reaction of a titanium wire and subsequent amorphous carbon coating. The readily hydrothermal procedure afforded in situ synthesis of TiO 2 nanowires on a titanium wire and provided a desirable substrate for further coating of amorphous carbon. Benefiting from the much larger surface area of subsequent TiO 2 and good adsorption property of the amorphous carbon coating, the core-shell TiO 2 @C fiber was utilized for the SPME device for the first time and proved to have better performance in extraction of polycyclic aromatic hydrocarbons. In comparison to the polydimethylsiloxane (PDMS) and PDMS/divinylbenzene (DVB) fiber for commercial use, the TiO 2 @C fiber obtained gas chromatography responses 3-8 times higher than those obtained by the commercial 100 μm PDMS and 1-9 times higher than those obtained by the 65 μm PDMS/DVB fiber. Under the optimized extraction conditions, the low detection limits were obtained in the range of 0.4-7.1 ng L -1 with wider linearity in the range of 10-2000 ng L -1 . Moreover, the fiber was successfully used for the determination of polycyclic aromatic hydrocarbons in Pearl River water, which demonstrated the applicability of the core-shell TiO 2 @C fiber.

Detailed Investigation of Core-Shell Precipitates in a Cu-Containing High Entropy Alloy

NASA Astrophysics Data System (ADS)

Alam, T.; Gwalani, B.; Viswanathan, G.; Fraser, H.; Banerjee, R.

2018-05-01

Due to the competing influences of configurational entropy and enthalpy of mixing, in recent years, secondary (including intermetallic) phases have been reported in many high entropy alloy (HEA) systems. These secondary phases offer great potential in terms of strengthening the HEA beyond the solid solution strengthening effects, and as such are of great interest in regards to alloy design for engineering applications. The present research investigates novel nano-scale core-shell precipitates forming within the disordered bcc matrix phase of an Al2CrCuFeNi2 HEA, utilizing complementary high-resolution microscopy techniques of atom probe tomography (APT) and transmission electron microscopy (TEM). The size, morphology, and local chemistry of these core-shell precipitates was measured by APT, and the composition was further corroborated by high-resolution scanning transmission electron microscopy-energy dispersive spectroscopy in an aberration-corrected TEM. Furthermore, high-resolution TEM imaging of the core-shell structure indicates that the Cu-rich core exhibits a bcc crystal structure.

Water impact analysis of space shuttle solid rocket motor by the finite element method

NASA Technical Reports Server (NTRS)

Buyukozturk, O.; Hibbitt, H. D.; Sorensen, E. P.

1974-01-01

Preliminary analysis showed that the doubly curved triangular shell elements were too stiff for these shell structures. The doubly curved quadrilateral shell elements were found to give much improved results. A total of six load cases were analyzed in this study. The load cases were either those resulting from a static test using reaction straps to simulate the drop conditions or under assumed hydrodynamic conditions resulting from a drop test. The latter hydrodynamic conditions were obtained through an emperical fit of available data. Results obtained from a linear analysis were found to be consistent with results obtained elsewhere with NASTRAN and BOSOR. The nonlinear analysis showed that the originally assumed loads would result in failure of the shell structures. The nonlinear analysis also showed that it was useful to apply internal pressure as a stabilizing influence on collapse. A final analysis with an updated estimate of load conditions resulted in linear behavior up to full load.

Fabrication and characterization of rice husk and coconut shell charcoal based bio-briquettes as alternative energy source

NASA Astrophysics Data System (ADS)

Yuliah, Y.; Kartawidjaja, M.; Suryaningsih, S.; Ulfi, K.

2017-05-01

Rice husk and coconut shell have been disposed or burned as waste. As biomass, both of materials are the potential sources of carbon which can be utilized as alternative energy sources. The energy content can be exploited more intensively when packaged in a brief and convenient. In this work, the mixtures of rice husks and coconut shells charcoal were prepared as briquettes. After going through the carbonization process, several measurements have been taken to find out the factors that determine the value of heat energy contains by each component of the charcoals. The basic ingredients briquettes prepared from rice husk and coconut shell charcoal with varying composition and addition of tapioca starch gradually as adhesive material to obtain briquettes in solid with the maximum heat energy content. After going through pressing and drying process, the briquettes with 50:50 percent of composition and the 6% addition of adhesive was found has the highest heat energy content, equal to 4966 cal/g.

Numerical Simulations of Non-Newtonian Convection in Ice: Application to Europa

NASA Technical Reports Server (NTRS)

Barr, A. C.; Pappalardo, R. T.

2003-01-01

Numerical simulations of solid state convection in Europa's ice shell have so far been limited to consideration of Newtonian flow laws, where the viscosity of ice is strongly dependent upon temperature, predicting that a stagnant lid should form at the top (10-40%) of a convecting ice shell. Such large thicknesses seem to contradict estimates of the effective elastic thickness of Europa s ice shell during its geologically active period. Recent laboratory experiments characterize the rheology of ice as the sum of contributions from several temperature and strain rate-dependent creep mechanisms. We present the results of numerical simulations of convection within Europa s ice shell using the finite-element model Citcom, applying the non-Newtonian rheology of grain boundry sliding. Our calculations suggest a shallower brittle/ductile transition and larger interior convective velocities compared to Newtonian rheology. The flow field is time-dependent, with small, localized upwellings and downwellings at the thermal boundary layers that have minimal topographic expression at the surface.

In situ control of synchronous germanide/silicide reactions with Ge/Si core/shell nanowires to monitor formation and strain evolution in abrupt 2.7 nm channel length

DOE PAGES

Chen, Renjie; Nguyen, Binh-Minh; Tang, Wei; ...

2017-05-22

The metal-semiconductor interface in self-aligned contact formation can determine the overall performance of nanoscale devices. This interfacial morphology is predicted and well researched in homogenous semiconductor nanowires (NWs) but was not pursued in heterostructured core/shell nanowires. Here, we found here that the solid-state reactions between Ni and Ge/Si core/shell nanowires resulted in a protruded and a leading NiSiy segment into the channel. A single Ni 2Ge/NiSi y to Ge/Si core/shell interface was achieved by the selective shell removal near the Ni source/drain contact areas. In using in situ transmission electron microscopy, we measured the growth rate and anisotropic strain evolutionmore » in ultra-short channels. We also found elevated compressive strains near the interface between the compound contact and the NW and relatively lower strains near the center of the channel which increased exponentially below the 10 nm channel length to exceed 10% strain at ~3 nm lengths. These compressive strains are expected to result in a non-homogeneous energy band structure in Ge/Si core/shell NWs below 10 nm and potentially benefit their transistor performance.« less

Nonaqueous slip casting of high temperature ceramic superconductors using an investment casting technique

NASA Technical Reports Server (NTRS)

Hooker, Matthew W. (Inventor); Taylor, Theodore D. (Inventor); Wise, Stephanie A. (Inventor); Buckley, John D. (Inventor); Vasquez, Peter (Inventor); Buck, Gregory M. (Inventor); Hicks, Lana P. (Inventor)

1993-01-01

A process for slip casting ceramic articles that does not employ parting agents and affords the casting of complete, detailed, precision articles that do not possess parting lines is presented. This process is especially useful for high temperature superconductors and water-sensitive ceramics. A wax pattern for a shell mold is provided, and an aqueous mixture of a calcium sulfate-bonded investment material is applied as a coating to the wax pattern. The coated wax pattern is then dried, followed by curing to vaporize the wax pattern and leave a shell mold of the calcium sulfate-bonded investment material. The shell mold is cooled to room temperature, and a ceramic slip, created by dispersing a ceramic powder in an organic liquid, is poured therein. After a ceramic shell of desired thickness or a solid article has set up in the shell mold, excess ceramic slip is poured out. The shell mold is misted with water and peeled away from the ceramic article, after which the ceramic is fired to provide a complete, detailed, precision, high temperature superconductive ceramic article without parting lines. The casting technique may take place in the presence of a magnetic field to orient the ceramic powders during the casting process.

In situ control of synchronous germanide/silicide reactions with Ge/Si core/shell nanowires to monitor formation and strain evolution in abrupt 2.7 nm channel length

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

Chen, Renjie; Nguyen, Binh-Minh; Tang, Wei

The metal-semiconductor interface in self-aligned contact formation can determine the overall performance of nanoscale devices. This interfacial morphology is predicted and well researched in homogenous semiconductor nanowires (NWs) but was not pursued in heterostructured core/shell nanowires. Here, we found here that the solid-state reactions between Ni and Ge/Si core/shell nanowires resulted in a protruded and a leading NiSiy segment into the channel. A single Ni 2Ge/NiSi y to Ge/Si core/shell interface was achieved by the selective shell removal near the Ni source/drain contact areas. In using in situ transmission electron microscopy, we measured the growth rate and anisotropic strain evolutionmore » in ultra-short channels. We also found elevated compressive strains near the interface between the compound contact and the NW and relatively lower strains near the center of the channel which increased exponentially below the 10 nm channel length to exceed 10% strain at ~3 nm lengths. These compressive strains are expected to result in a non-homogeneous energy band structure in Ge/Si core/shell NWs below 10 nm and potentially benefit their transistor performance.« less

Core-shell monodisperse spherical mSiO2/Gd2O3:Eu3+@mSiO2 particles as potential multifunctional theranostic agents

NASA Astrophysics Data System (ADS)

Eurov, Daniil A.; Kurdyukov, Dmitry A.; Kirilenko, Demid A.; Kukushkina, Julia A.; Nashchekin, Alexei V.; Smirnov, Alexander N.; Golubev, Valery G.

2015-02-01

Core-shell nanoparticles with diameters in the range 100-500 nm have been synthesized as monodisperse spherical mesoporous (pore diameter 3 nm) silica particles with size deviation of less than 4 %, filled with gadolinium and europium oxides and coated with a mesoporous silica shell. It is shown that the melt technique developed for filling with gadolinium and europium oxides provides a nearly maximum filling of mesopores in a single-run impregnation, with gadolinium and europium uniformly distributed within the particles and forming no bulk oxides on their surface. The coating with a shell does not impair the monodispersity and causes no coagulation. The coating technique enables controlled variation of the shell thickness within the range 5-100 % relative to the core diameter. The thus produced nanoparticles are easily dispersed in water, have large specific surface area (300 m2 g-1) and pore volume (0.3 cm3 g-1), and are bright solid phosphor with superior stability in aqueous media. The core-shell structured particles can be potentially used for cancer treatment as a therapeutic agent (gadolinium neutron-capture therapy and drug delivery system) and, simultaneously, as a multimodal diagnostic tool (fluorescence and magnetic resonance imaging), thereby serving as a multifunctional theranostic agent.

Final Report: “Energetics of Nanomaterials”

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

Woodfield, Brian F.; navrotsky, alexandra; Ross, Nancy

2016-08-30

Nanomaterials, solids with very small particle size, form the basis of new technologies that are revolutionizing fields such as energy, lighting, electronics, medical diagnostics, and drug delivery. These nanoparticles are different from conventional bulk materials in many ways we do not yet fully understand. This project focused on their structure and thermodynamics and emphasized the role of water in nanoparticle surfaces. Using a unique and synergistic combination of high-tech techniques—namely oxide melt solution calorimetry, cryogenic heat capacity measurements, and inelastic neutron scattering—this work has identified differences in structure, thermodynamic stability, and water behavior on nanoparticles as a function of compositionmore » and particle size. The systematics obtained increase the fundamental understanding needed to synthesize, retain, and apply these technologically important nanomaterials and to predict and tailor new materials for enhanced functionality, eventually leading to a more sustainable way of life. Highlights are reported on the following topics: surface energies, thermochemistry of nanoparticles, and changes in stability at the nanoscale; heat capacity models and the gapped phonon spectrum; control of pore structure, acid sites, and thermal stability in synthetic γ-aluminas; the lattice contribution is the same for bulk and nanomaterials; and inelastic neutron scattering studies of water on nanoparticle surfaces.« less

Final Report: "Energetics of Nanomaterials

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

Navrotsky, Alexandra; Ross, Nancy; Woodfield, Brian

2015-02-14

Nanomaterials, solids with very small particle size, form the basis of new technologies that are revolutionizing fields such as energy, lighting, electronics, medical diagnostics, and drug delivery. These nanoparticles are different from conventional bulk materials in many ways we do not yet fully understand. This project focused on their structure and thermodynamics and emphasized the role of water in nanoparticle surfaces. Using a unique and synergistic combination of high-tech techniques—namely oxide melt solution calorimetry, cryogenic heat capacity measurements, and inelastic neutron scattering—this work has identified differences in structure, thermodynamic stability, and water behavior on nanoparticles as a function of compositionmore » and particle size. The systematics obtained increase the fundamental understanding needed to synthesize, retain, and apply these technologically important nanomaterials and to predict and tailor new materials for enhanced functionality, eventually leading to a more sustainable way of life. Highlights are reported on the following topics: surface energies, thermochemistry of nanoparticles, and changes in stability at the nanoscale; heat capacity models and the gapped phonon spectrum; control of pore structure, acid sites, and thermal stability in synthetic γ-aluminas; the lattice contribution is the same for bulk and nanomaterials; and inelastic neutron scattering studies of water on nanoparticle surfaces.« less

Comparative analysis of characteristic electron energy loss spectra and inelastic scattering cross-section spectra of Fe

NASA Astrophysics Data System (ADS)

Parshin, A. S.; Igumenov, A. Yu.; Mikhlin, Yu. L.; Pchelyakov, O. P.; Zhigalov, V. S.

2016-05-01

The inelastic electron scattering cross section spectra of Fe have been calculated based on experimental spectra of characteristic reflection electron energy loss as dependences of the product of the inelastic mean free path by the differential inelastic electron scattering cross section on the electron energy loss. It has been shown that the inelastic electron scattering cross-section spectra have certain advantages over the electron energy loss spectra in the analysis of the interaction of electrons with substance. The peaks of energy loss in the spectra of characteristic electron energy loss and inelastic electron scattering cross sections have been determined from the integral and differential spectra. It has been shown that the energy of the bulk plasmon is practically independent of the energy of primary electrons in the characteristic electron energy loss spectra and monotonically increases with increasing energy of primary electrons in the inelastic electron scattering cross-section spectra. The variation in the maximum energy of the inelastic electron scattering cross-section spectra is caused by the redistribution of intensities over the peaks of losses due to various excitations. The inelastic electron scattering cross-section spectra have been analyzed using the decomposition of the spectra into peaks of the energy loss. This method has been used for the quantitative estimation of the contributions from different energy loss processes to the inelastic electron scattering cross-section spectra of Fe and for the determination of the nature of the energy loss peaks.

Dynamic toughness in elastic nonlinear viscous solids

NASA Astrophysics Data System (ADS)

Tang, S.; Guo, T. F.; Cheng, L.

2009-02-01

This work addresses the interrelationship among dissipative mechanisms—material separation in the fracture process zone (FPZ), nonelastic deformation in the surrounding background material and kinetic energy—and how they affect the macroscopic dynamic fracture toughness as well as the limiting crack speed in strain rate sensitive materials. To this end, a micromechanics-based model for void growth in a nonlinear viscous solid is incorporated into a microporous strip of cell elements that forms the FPZ. The latter is surrounded by background material described by conventional constitutive relations. In the first part of the paper, the background material is assumed to be purely elastic. Here, the computed dynamic fracture toughness is a convex function of crack velocity. In the second part, the background material as well as the FPZ are described by similar rate-sensitivity parameters. Voids grow in the strain rate strengthened FPZ as the crack velocity increases. Consequently, the work of separation increases. By contrast, the inelastic dissipation in the background material appears to be a concave function of crack velocity. At the lower crack velocity regime, where dissipation in the background material is dominant, toughness decreases as crack velocity increases. At high crack velocities, inelastic deformation enhanced by the inertial force can cause a sharp increase in toughness. Here, the computed toughness increases rapidly with crack velocity. There exist regimes where the toughness is a non-monotonic function of the crack velocity. Two length scales—the width of the FPZ and the ratio of the shear wave speed to the reference strain rate—can be shown to strongly affect the dynamic fracture toughness. Our computational simulations can predict experimental data for fracture toughness vs. crack velocity reported in several studies for amorphous polymeric materials.

Shear-induced crystallization of a dense rapid granular flow: hydrodynamics beyond the melting point.

PubMed

Khain, Evgeniy; Meerson, Baruch

2006-06-01

We investigate shear-induced crystallization in a very dense flow of monodisperse inelastic hard spheres. We consider a steady plane Couette flow under constant pressure and neglect gravity. We assume that the granular density is greater than the melting point of the equilibrium phase diagram of elastic hard spheres. We employ a Navier-Stokes hydrodynamics with constitutive relations all of which (except the shear viscosity) diverge at the crystal-packing density, while the shear viscosity diverges at a smaller density. The phase diagram of the steady flow is described by three parameters: an effective Mach number, a scaled energy loss parameter, and an integer number m: the number of half-oscillations in a mechanical analogy that appears in this problem. In a steady shear flow the viscous heating is balanced by energy dissipation via inelastic collisions. This balance can have different forms, producing either a uniform shear flow or a variety of more complicated, nonlinear density, velocity, and temperature profiles. In particular, the model predicts a variety of multilayer two-phase steady shear flows with sharp interphase boundaries. Such a flow may include a few zero-shear (solidlike) layers, each of which moving as a whole, separated by fluidlike regions. As we are dealing with a hard sphere model, the granulate is fluidized within the "solid" layers: the granular temperature is nonzero there, and there is energy flow through the boundaries of the solid layers. A linear stability analysis of the uniform steady shear flow is performed, and a plausible bifurcation diagram of the system, for a fixed m, is suggested. The problem of selection of m remains open.

Integrated in-situ probes for structural and dynamic properties of geological materials at ultrahigh pressures and temperatures

NASA Astrophysics Data System (ADS)

Mao, H.; Mao, W. L.

2005-12-01

Multiple x-ray and allied probes have been recently developed and integrated with diamond-anvil cells at synchrotron facilities. They have effectively opened up the vast field area of the Earth's interior to direct, in-situ study. For instance, x-ray emission spectroscopy identifies the high-spin-low-spin transition that governs Fe-Mg partitioning, the most important factor in element differentiation in the mantle. Inelastic x-ray near-edge spectroscopy reveals the bonding nature of light elements that control the phase transitions, structure and partitioning of these elements (e.g., carbon bonding changes as an element, and in oxides, carbonates, and silicates). X-ray diffraction combined with laser-heated diamond anvil cell determines crystal structures and P-V-T equations of state. Shear moduli, single-crystal elasticity, and phonon dynamics can be measured to the core pressures with newly-enabled, complementary techniques, including radial x-ray diffraction, nuclear resonant inelastic x-ray scattering, non-resonant inelastic x-ray scattering, high-temperature Raman spectroscopy, and Brillouin scattering spectroscopy. The nonhydrostatic stress in solid samples which was previously regarded as a nuisance that degraded the experiments, can now be used for extracting important rheological information, including deformation mechanisms, preferred orientation, slip systems, plasticity, failure, and shear strength of major mantle and core minerals at high pressures. With the new arsenal of experimental techniques over the extended P-T-x regimes at we can now address questions that were not conceivable only a decade ago. Knowledge of the high P-T properties is leading to fundamental improvements in interpreting seismological observations and understanding the structure, dynamics, and evolution of the Earth's deep interior.

Inelastic neutron scattering of large molecular systems: The case of the original benzylic amide [2]catenane

NASA Astrophysics Data System (ADS)

Caciuffo, Roberto; Esposti, Alessandra Degli; Deleuze, Michael S.; Leigh, David A.; Murphy, Aden; Paci, Barbara; Parker, Stewart F.; Zerbetto, Francesco

1998-12-01

The inelastic neutron scattering (INS) spectrum of the original benzylic amide [2]catenane is recorded and simulated by a semiempirical quantum chemical procedure coupled with the most comprehensive approach available to date, the CLIMAX program. The successful simulation of the spectrum indicates that the modified neglect of differential overlap (MNDO) model can reproduce the intramolecular vibrations of a molecular system as large as a catenane (136 atoms). Because of the computational costs involved and some numerical instabilities, a less expensive approach is attempted which involves the molecular mechanics-based calculation of the INS response in terms of the most basic formulation for the scattering activity. The encouraging results obtained validate the less computationally intensive procedure and allow its extension to the calculation of the INS spectrum for a second, theoretical, co-conformer, which, although structurally and energetically reasonable, is not, in fact, found in the solid state. The second structure was produced by a Monte Carlo simulated annealing method run in the conformational space (a procedure that would have been prohibitively expensive at the semiempirical level) and is characterized by a higher degree of intramolecular hydrogen bonding than the x-ray structure. The two alternative structures yield different simulated spectra, only one of which, the authentic one, is compatible with the experimental data. Comparison of the two simulated and experimental spectra affords the identification of an inelastic neutron scattering spectral signature of the correct hydrogen bonding motif in the region slightly above 700 cm-1. The study illustrates that combinations of simulated INS data and experimental results can be successfully used to discriminate between different proposed structures or possible hydrogen bonding motifs in large functional molecular systems.

Transient and residual stresses in large castings, taking time effects into account

NASA Astrophysics Data System (ADS)

Thorborg, J.; Klinkhammer, J.; Heitzer, M.

2012-07-01

Casting of large scale steel and iron parts leads to long solidification and cooling times. Solid mechanical calculations for these castings have to take the time scale of the process into account, in order to predict the transient and residual stress levels with a reasonable accuracy. This paper presents a study on the modelling of the thermo-mechanical conditions in the cast material using a unified approach to describe the constitutive behaviour. This means a classical splitting of the mechanical strain into an elastic and an inelastic contribution, where the inelastic strain is only formulated in the deviatoric space in terms of the J2 invariant. At high temperatures, creep is pronounced. Since the cooling time is long, the model includes a type of Norton's power law to integrate the significant contribution of creep to the inelastic strains. At these temperature levels, annealing effects are also dominant and hence no hardening is modelled. However, at intermediate and lower temperature levels, hardening is more pronounced and isotropic hardening is considered. Different hardening models have been studied and selected based on their ability to describe the behaviour at the different temperature levels. At the lower temperature levels, time effects decrease and the formulation reduces to a time independent formulation, like classical J2-flow theory. Several tensile and creep experiments have been made at different temperature levels to provide input data for selecting the appropriate contributions to the material model. The measurements have furthermore been used as input for extracting material data for the model. The numerical model is applied on different industrial examples to verify the agreement between measured and calculated deformations.

Optimum hot electron production with low-density foams for laser fusion by fast ignition.

PubMed

Lei, A L; Tanaka, K A; Kodama, R; Kumar, G R; Nagai, K; Norimatsu, T; Yabuuchi, T; Mima, K

2006-06-30

We propose a foam cone-in-shell target design aiming at optimum hot electron production for the fast ignition. A thin low-density foam is proposed to cover the inner tip of a gold cone inserted in a fuel shell. An intense laser is then focused on the foam to generate hot electrons for the fast ignition. Element experiments demonstrate increased laser energy coupling efficiency into hot electrons without increasing the electron temperature and beam divergence with foam coated targets in comparison with solid targets. This may enhance the laser energy deposition in the compressed fuel plasma.

All zinc-blende GaAs/(Ga,Mn)As core-shell nanowires with ferromagnetic ordering.

PubMed

Yu, Xuezhe; Wang, Hailong; Pan, Dong; Zhao, Jianhua; Misuraca, Jennifer; von Molnár, Stephan; Xiong, Peng

2013-04-10

Combining self-catalyzed vapor-liquid-solid growth of GaAs nanowires and low-temperature molecular-beam epitaxy of (Ga,Mn)As, we successfully synthesized all zinc-blende (ZB) GaAs/(Ga,Mn)As core-shell nanowires on Si(111) substrates. The ZB GaAs nanowire cores are first fabricated at high temperature by utilizing the Ga droplets as the catalyst and controlling the triple phase line nucleation, then the (Ga,Mn)As shells are epitaxially grown on the side facets of the GaAs core at low temperature. The growth window for the pure phase GaAs/(Ga,Mn)As core-shell nanowires is found to be very narrow. Both high-resolution transmission electron microscopy and scanning electron microscopy observations confirm that all-ZB GaAs/(Ga,Mn)As core-shell nanowires with smooth side surface are obtained when the Mn concentration is not more than 2% and the growth temperature is 245 °C or below. Magnetic measurements with different applied field directions provide strong evidence for ferromagnetic ordering in the all-ZB GaAs/(Ga,Mn)As nanowires. The hybrid nanowires offer an attractive platform to explore spin transport and device concepts in fully epitaxial all-semiconductor nanospintronic structures.

Material, process, and product design of thermoplastic composite materials

NASA Astrophysics Data System (ADS)

Dai, Heming

Thermoplastic composites made of polypropylene (PP) and E-glass fibers were investigated experimentally as well as theoretically for two new classes of product designs. The first application was for reinforcement of wood. Commingled PP/glass yarn was consolidated and bonded on wood panel using a tie layer. The processing parameters, including temperature, pressure, heating time, cooling time, bonding strength, and bending strength were tested experimentally and evaluated analytically. The thermoplastic adhesive interface was investigated with environmental scanning electron microscopy. The wood/composite structural design was optimized and evaluated using a Graphic Method. In the second application, we evaluated use of thermoplastic composites for explosion containment in an arrester. PP/glass yarn was fabricated in a sleeve form and wrapped around the arrester. After consolidation, the flexible composite sleeve forms a solid composite shell. The composite shell acts as a protection layer in a surge test to contain the fragments of the arrester. The manufacturing process for forming the composite shell was designed. Woven, knitted, and braided textile composite shells made of commingled PP/glass yarn were tested and evaluated. Mechanical performance of the woven, knitted, and braided composite shells was examined analytically. The theoretical predictions were used to verify the experimental results.

Reaction kinetics of free fatty acids esterification in palm fatty acid distillate using coconut shell biochar sulfonated catalyst

NASA Astrophysics Data System (ADS)

Hidayat, Arif; Rochmadi, Wijaya, Karna; Budiman, Arief

2015-12-01

Recently, a new strategy of preparing novel carbon-based solid acids has been developed. In this research, the esterification reactions of Palm Fatty Acid Distillate (PFAD) with methanol, using coconut shell biochar sulfonated catalyst from biomass wastes as catalyst, were studied. In this study, the coconut shell biochar sulfonated catalysts were synthesized by sulfonating the coconut shell biochar using concentrated H2SO4. The kinetics of free fatty acid (FFA) esterification in PFAD using a coconut shell biochar sulfonated catalyst was also studied. The effects of the mass ratio of catalyst to oil (1-10%), the molar ratio of methanol to oil (6:1-12:1), and the reaction temperature (40-60°C) were studied for the conversion of PFAD to optimize the reaction conditions. The results showed that the optimal conditions were an methanol to PFAD molar ratio of 12:1, the amount of catalyst of 10%w, and reaction temperature of 60°C. The proposed kinetic model shows a reversible second order reaction and represents all the experimental data satisfactorily, providing deeper insight into the kinetics of the reaction.

Determination of K shell absorption jump factors and jump ratios in the elements between Tm( Z = 69) and Os( Z = 76) by measuring K shell fluorescence parameters

NASA Astrophysics Data System (ADS)

Kaya, N.; Tıraşoğlu, E.; Apaydın, G.

2008-04-01

The K shell absorption jump factors and jump ratios have been measured in the elements between Tm ( Z = 69) and Os( Z = 76) without having any mass attenuation coefficient at the upper and lower energy branch of the K absorption edge. The jump factors and jump ratios for these elements have been determined by measuring K shell fluorescence parameters such as the total atomic absorption cross-sections, the K α X-ray production cross-sections, the intensity ratio of the K β and K α X-rays and the K shell fluorescence yields. We have performed the measurements for the calculations of these values in attenuation and direct excitation experimental geometry. The K X-ray photons are excited in the target using 123.6 keV gamma-rays from a strong 57Co source, and detected with an Ultra-LEGe solid state detector with a resolution 0.15 keV at 5.9 keV. The measured values have been compared with theoretical and others' experimental values. The results have been plotted versus atomic number.

Evaluation of damage progression and mechanical behavior under compression of bone cements containing core-shell nanoparticles by using acoustic emission technique.

PubMed

Pacheco-Salazar, O F; Wakayama, Shuichi; Sakai, Takenobu; Cauich-Rodríguez, J V; Ríos-Soberanis, C R; Cervantes-Uc, J M

2015-06-01

In this work, the effect of the incorporation of core-shell particles on the fracture mechanisms of the acrylic bone cements by using acoustic emission (AE) technique during the quasi-static compression mechanical test was investigated. Core-shell particles were composed of a poly(butyl acrylate) (PBA) rubbery core and a methyl methacrylate/styrene copolymer (P(MMA-co-St)) outer glassy shell. Nanoparticles were prepared with different core-shell ratio (20/80, 30/70, 40/60 and 50/50) and were incorporated into the solid phase of bone cement at several percentages (5, 10 and 15 wt%). It was observed that the particles exhibited a spherical morphology averaging ca. 125 nm in diameter, and the dynamic mechanical analysis (DMA) thermograms revealed the desired structuring pattern of phases associated with core-shell structures. A fracture mechanism was proposed taking into account the detected AE signals and the scanning electron microscopy (SEM) micrographs. In this regard, core-shell nanoparticles can act as both additional nucleation sites for microcracks (and crazes) and to hinder the microcrack propagation acting as a barrier to its growth; this behavior was presented by all formulations. Cement samples containing 15 wt% of core-shell nanoparticles, either 40/60 or 50/50, were fractured at 40% deformation. This fact seems related to the coalescence of microcracks after they surround the agglomerates of core-shell nanoparticles to continue growing up. This work also demonstrated the potential of the AE technique to be used as an accurate and reliable detection tool for quasi-static compression test in acrylic bone cements. Copyright © 2015 Elsevier Ltd. All rights reserved.

Empirical calibration of shell chemistry of Cyprideis torosa (Jones, 1850) (Crustacea: Ostracoda)

NASA Astrophysics Data System (ADS)

Marco-Barba, J.; Ito, E.; Carbonell, E.; Mesquita-Joanes, F.

2012-09-01

Cyprideis torosa is a species of ostracode that inhabits a wide range of aquatic habitats in which its low Alk/Ca requirement is met. Its fossil remains are widely used in palaeoecological studies of coastal environments and inland salt lakes. We collected C. torosa from 20 water bodies near Valencia, Spain. Temperature, chlorophyll a concentration, electrical conductivity, and the concentration of major ions and oxygen isotopes were measured at each site. Between 2 and 20 live individuals of C. torosa were collected per site, their instar stage and sex determined and their shell chemistry (Mg/Ca, Sr/Ca and carbon and oxygen isotope composition) analyzed. Three of these sites were sampled monthly for one year, and ostracode population structure and shell chemistry (20-40 shells) were analyzed. The water chemistry varied widely between sites. TDS (total dissolved solids) ranged from 0.5 to 71.8 g/L but chloride was always the dominant anion. There is a significant positive relationship between ostracode and water δ18O except at high TDS (>20 g/L) when shell δ18O values are lower than expected. No effect of either temperature or water Mg/Ca is observed on the Mg/Ca in the ostracode calcite in waters with Mg/Ca < 6 (molar ratio). Ostracode shell Sr/Ca is strongly and significantly related to water Sr/Ca. δ13C values in C. torosa shells are ˜2‰ lower than observed δ13CDIC. These results provide new and more accurate quantification tools to reconstruct past hydrochemistry from C. torosa shells.

Ignition of deuterium-trtium fuel targets

DOEpatents

Musinski, Donald L.; Mruzek, Michael T.

1991-01-01

A method of igniting a deuterium-tritium ICF fuel target to obtain fuel burn in which the fuel target initially includes a hollow spherical shell having a frozen layer of DT material at substantially uniform thickness and cryogenic temperature around the interior surface of the shell. The target is permitted to free-fall through a target chamber having walls heated by successive target ignitions, so that the target is uniformly heated during free-fall to at least partially melt the frozen fuel layer and form a liquid single-phase layer or a mixed liquid/solid bi-phase layer of substantially uniform thickness around the interior shell surface. The falling target is then illuminated from exteriorly of the chamber while the fuel layer is at substantially uniformly single or bi-phase so as to ignite the fuel layer and release energy therefrom.

Ignition of deuterium-tritium fuel targets

DOEpatents

Musinski, D.L.; Mruzek, M.T.

1991-08-27

Disclosed is a method of igniting a deuterium-tritium ICF fuel target to obtain fuel burn in which the fuel target initially includes a hollow spherical shell having a frozen layer of DT material at substantially uniform thickness and cryogenic temperature around the interior surface of the shell. The target is permitted to free-fall through a target chamber having walls heated by successive target ignitions, so that the target is uniformly heated during free-fall to at least partially melt the frozen fuel layer and form a liquid single-phase layer or a mixed liquid/solid bi-phase layer of substantially uniform thickness around the interior shell surface. The falling target is then illuminated from exteriorly of the chamber while the fuel layer is at substantially uniformly single or bi-phase so as to ignite the fuel layer and release energy therefrom. 5 figures.

Experimental evaluation of drying characteristics of sewage sludge and hazelnut shell mixtures

NASA Astrophysics Data System (ADS)

Pehlivan, Hüseyin; Ateş, Asude; Özdemir, Mustafa

2016-11-01

In this study the drying behavior of organic and agricultural waste mixtures has been experimentally investigated. The usability of sewage sludge as an organic waste and hazelnut shell as an agricultural waste was assessed in different mixture range. The paper discusses the applicability of these mixtures as a recovery energy source. Moisture content of mixtures has been calculated in laboratory and plant conditions. Indoor and outdoor solar sludge drying plants were constructed in pilot scale for experimental purposes. Dry solids and climatic conditions were constantly measured. A total more than 140 samples including for drying has been carried out to build up results. Indoor and outdoor weather conditions are taken into consideration in winter and summer. The most effective drying capacity is obtained in mixture of 20 % hazelnut shell and 80 % sewage sludge.

Accurate Cross Sections for Microanalysis.

PubMed

Rez, Peter

2002-01-01

To calculate the intensity of x-ray emission in electron beam microanalysis requires a knowledge of the energy distribution of the electrons in the solid, the energy variation of the ionization cross section of the relevant subshell, the fraction of ionizations events producing x rays of interest and the absorption coefficient of the x rays on the path to the detector. The theoretical predictions and experimental data available for ionization cross sections are limited mainly to K shells of a few elements. Results of systematic plane wave Born approximation calculations with exchange for K, L, and M shell ionization cross sections over the range of electron energies used in microanalysis are presented. Comparisons are made with experimental measurement for selected K shells and it is shown that the plane wave theory is not appropriate for overvoltages less than 2.5 V.

Petrology and geochemistry of the orbicular granitoid of Caldera, northern Chile. Models and hypotheses on the formation of radial orbicular textures

NASA Astrophysics Data System (ADS)

Díaz-Alvarado, Juan; Rodríguez, Natalia; Rodríguez, Carmen; Fernández, Carlos; Constanzo, Ítalo

2017-07-01

The orbicular granitoid of Caldera, located at the northern part of the Chilean Coastal Range, is a spectacular example of radial textures in orbicular structures. The orbicular body crops out as a 375 m2 tabular to lensoidal intrusive sheet emplaced in the Lower Jurassic Relincho pluton. The orbicular structures are 3-7 cm in diameter ellipsoids hosted in a porphyritic matrix. The orbicules are comprised by a Qtz-dioritic core (3-5 cm in diameter) composed by Pl + Hbl + Qtz + Bt ± Kfs with equiaxial textures and a gabbroic shell (2-3 cm in diameter) characterized by feathery and radiate textures with a plagioclase + hornblende paragenesis. The radial shell crystals are rooted and orthogonally disposed in the irregular contact with the core. The radial shell, called here inner shell, is in contact with the granodioritic equiaxial interorbicular matrix through a 2-3 mm wide poikilitic band around the orbicule (outer shell). The outer shell and the matrix surrounding the orbicules are characterized by the presence of large hornblende and biotite oikocrystals that include fine-grained rounded plagioclase and magnetite. The oikocrystals of both the outer shell and the matrix have a circumferential arrangement around the orbicule, i.e. orthogonal to the radial inner shell. The coarse-grained granodioritic interorbicular matrix present pegmatitic domains with large acicular hornblende and K-feldspar megacrysts. This work presents a review of the textural characteristics of the orbicules and a complete new mineral and whole-rock geochemical study of the different parts of the orbicular granitoid, together with thermobarometric and crystallographic data, and theoretical modeling of the crystallization and element partitioning processes. We propose a model for the formation of the orbicular radial textures consisting of several processes that are suggested to occur fast and consecutively: superheating, volatile exsolution, undercooling, geochemical fractionation and columnar and equiaxial crystallization. According to the obtained results, the formation of the orbicular granitoid of Caldera may have initiated 1) during the generation of a magmatic fracture in the crystallization front of the Relincho pluton, where the water released by the host crystal mush was dissolved in the new batch of dioritic magma. 2) The high influx of water-rich liquids induced superheating conditions in the newly intruding magma that became a depolymerized liquid, where the only solid particules were the small irregular fragments of the host mush dragged from the fracture walls. 3) Volatile exsolution promoted crystallization under undercooling conditions. 4) Undercooling and nucleation around the core (cold germs) involved the physical and geochemical fractionation between two sub-systems: a gabbroic sub-system that comprises the solid paragénesis with a residual water-rich liquid and a granodioritic sub-system. 5) The orbicules, including core and inner shell, behaved as viscous bodies (crystals + residual liquid) floating in the granodioritic magma. 6) Higher undercooling rates occurred at the starting stage, close to the liquidus, promoting columnar crystallization around the cores and formation of the shells. Conversely, in the granodioritic matrix sub-system, equiaxial crystallization was promoted by low relative crystallization rates. 7) The rest of the crystallization process evolved later in the outer shell and the matrix, as suggested by the poikilitic textures observed in both sides of the orbicule contact, and under conditions close to the solidus of both sub-systems (shell and matrix). The water-rich residual liquid expelled during the orbicular shell crystallization was mingled with the partially crystallized matrix magma, generating the pegmatitic domains with large Kfs megacrysts.

Cost analysis of composite fan blade manufacturing processes

NASA Technical Reports Server (NTRS)

Stelson, T. S.; Barth, C. F.

1980-01-01

The relative manufacturing costs were estimated for large high technology fan blades prepared by advanced composite fabrication methods using seven candidate materials/process systems. These systems were identified as laminated resin matrix composite, filament wound resin matrix composite, superhybrid solid laminate, superhybrid spar/shell, metal matrix composite, metal matrix composite with a spar and shell, and hollow titanium. The costs were calculated utilizing analytical process models and all cost data are presented as normalized relative values where 100 was the cost of a conventionally forged solid titanium fan blade whose geometry corresponded to a size typical of 42 blades per disc. Four costs were calculated for each of the seven candidate systems to relate the variation of cost on blade size. Geometries typical of blade designs at 24, 30, 36 and 42 blades per disc were used. The impact of individual process yield factors on costs was also assessed as well as effects of process parameters, raw materials, labor rates and consumable items.

Thermal stress analysis of symmetric shells subjected to asymmetric thermal loads

NASA Technical Reports Server (NTRS)

Negaard, G. R.

1980-01-01

The performance of the NASTRAN level 16.0 axisymmetric solid elements when subjected to both symmetric and asymmetric thermal loading was investigated. A ceramic radome was modeled using both the CTRAPRG and the CTRAPAX elements. The thermal loading applied contained severe gradients through the thickness of the shell. Both elements were found to be more sensitive to the effect of the thermal gradient than to the aspect ratio of the elements. Analysis using the CTRAPAX element predicted much higher thermal stresses than the analysis using the CTRAPRG element, prompting studies of models for which theoretical solutions could be calculated. It was found that the CTRAPRG element solutions were satisfactory, but that the CTRAPAX element was very geometry dependent. This element produced erroneous results if the geometry was allowed to vary from a rectangular cross-section. The most satisfactory solution found for this type of problem was to model a small segment of a symmetric structure with isoparametric solid elements and apply the cyclic symmetry option in NASTRAN.

Utilization of oil palm biodiesel solid residue as renewable sources for preparation of granular activated carbon by microwave induced KOH activation.

PubMed

Foo, K Y; Hameed, B H

2013-02-01

In this work, preparation of granular activated carbon from oil palm biodiesel solid residue, oil palm shell (PSAC) by microwave assisted KOH activation has been attempted. The physical and chemical properties of PSAC were characterized using scanning electron microscopy, volumetric adsorption analyzer and elemental analysis. The adsorption behavior was examined by performing batch adsorption experiments using methylene blue as dye model compound. Equilibrium data were simulated using the Langmuir, Freundlich and Temkin isotherm models. Kinetic modeling was fitted to the pseudo-first-order, pseudo-second-order and Elovich kinetic models, while the adsorption mechanism was determined using the intraparticle diffusion and Boyd equations. The result was satisfactory fitted to the Langmuir isotherm model with a monolayer adsorption capacity of 343.94mg/g at 30°C. The findings support the potential of oil palm shell for preparation of high surface area activated carbon by microwave assisted KOH activation. Copyright © 2012 Elsevier Ltd. All rights reserved.

Surface-modified multifunctional MIP nanoparticles

PubMed Central

Moczko, Ewa; Poma, Alessandro; Guerreiro, Antonio; de Vargas Sansalvador, Isabel Perez; Caygill, Sarah; Canfarotta, Francesco; Whitcombe, Michael J.; Piletsky, Sergey

2015-01-01

The synthesis of core-shell molecularly imprinted polymer nanoparticles (MIP NPs) has been performed using a novel solid-phase approach on immobilised templates. The same solid phase also acts as protective functionality for high affinity binding sites during subsequent derivatisation/shell formation. This procedure allows for the rapid synthesis, controlled separation and purification of high-affinity materials, with each production cycle taking just 2 hours. The aim of this approach is to synthesise uniformly-sized imprinted materials at the nanoscale which can be readily grafted with various polymers without affecting their affinity and specificity. For demonstration purposes we grafted anti-melamine MIP NPs with coatings which introduce the following surface characteristics: high polarity (PEG methacrylate); electro-activity (vinyl ferrocene); fluorescence (eosin acrylate); thiol groups (pentaerythritol tetrakis(3-mercaptopropionate)). The method has broad applicability and can be used to produce multifunctional imprinted nanoparticles with potential for further application in the biosensors, diagnostics and biomedical fields and as an alternative to natural receptors. PMID:23503559

Exocomet Signatures Around the A-shell Star Phi Leonis

NASA Technical Reports Server (NTRS)

Eiroa, C.; Rebollido, I.; Montesinos, B.; Villaver, E.; Absil, O.; Henning, Th.; Bayo, A.; Canovas, H.; Carmona, A.; Chen, Ch.;

Thermonuclear flashes on hydrogen/helium accreting carbon monoxide white dwarfs and structure of exotic nuclei

NASA Astrophysics Data System (ADS)

Mitchell, Joseph P.

We studied H-shell flashes on CO WDs accreting Hydrogen rich matter in regimes where they are believed to be on the border of stable accretion and of having dynamical mass loss. These systems are believed to be progenitors of SNe Ia, however, there is still some question of what range of accretion rates and WD masses allow for growth to the Chandrasekhar mass, if any do at all. Flashes that result in mass loss are also of interest as they enrich the Inter Stellar Medium. Use of an explicit hydro code has allowed for the observation of a new physical effect from wave dissipation. With our high time resolution, energy transport via waves, and detailed EOS, we found that at the onset of the flash, a reduction in the degeneracy pressure due to electron captures, results in a reduction of the total pressure. With a gravitational acceleration on the order of 108 in the shell, a reduction of the total pressure by 1% results in an in fall acceleration of 10 kms2 . With such a strong in fall, compressional heating results in a hotter flash, with results showing temperatures over a billion degrees in all models. These high temperatures had consequences on the nucleosynthesis, as they allowed for rp-breakout during the flash. The effect of a "double" flash was found in one model. This resulted when the flash stalled in the H-shell, resulting in high temperature burning in only a portion of the shell. Once the H was exhausted in the flash region, cooling occurred and there was contraction of the H exhausted region. This contraction caused an in fall of the un-exhausted region which via compressional heating resulted in the flash to occur in the un-exhausted region. Such an effect may happen in any progenitor system in which the flash stalls and compression afterwards is suitable for a re-start of the flash. This effect may be observable with the current generation of instruments. With the high temperatures found in the flashes, rp-breakout nucleosynthesis was found to occur. Occurrence of rp-nucleosynthesis in these objects may make important sources of the chemical enrichment of isotopes below the iron group that are not know to be synthesized in hydrostatic stellar burning. The existence of rp-breakout in the flashes, shows the importance of nuclear physics in these objects. More precise nuclear reaction rate data are needed for proper energy generation and chemical evolution. With the occurrence of rp-nucleosynthesis in our models, it is especially advantageous to study radioactive proton rich nuclei. These studies are not without many difficulties in the laboratory, as many of the studies require the use of low intensity radioactive beams making clean, high statistic studies difficult. To address this issue, the hybrid target technique was used. This target technique was found to be a great tool for studying resonant proton scattering with exotic beams. It has been used to measure elastic and inelastic excitation functions in the study of 8B via 7Be+p scattering, as well as 12N+p elastic scattering. With such success, the hybrid target technique can be a very useful tool for studying reactions that are important in the rp-process. We have studied the structure of the astrophysically important, radioactive isotope 8B. Three new resonances have been suggested, a 0+1,2+2 , and 1+2 which were predominantly in the inelastic channel and never before seen in previous studies. However, due to their high excitation energies and narrow width, none of the resonances are expected to effect the astrophysically important 7Be(p, gamma) reaction rate. Results were compared to continuum shell model as well as ab initio calculations and found to be in good agreement with both sets of predictions, with the notable exception of the 2+2 state. (Abstract shortened by UMI.)

Enzyme immobilization in novel alginate-chitosan core-shell microcapsules.

PubMed

Taqieddin, Ehab; Amiji, Mansoor

2004-05-01

Alginate-chitosan core-shell microcapsules were prepared in order to develop a biocompatible matrix for enzyme immobilization, where the protein is retained either in a liquid or solid core and the shell allows permeability control over substrates and products. The permeability coefficients of different molecular weight compounds (vitamin B2, vitamin B12, and myoglobin) were determined through sodium tripolyphosphate (Na-TPP)-crosslinked chitosan membrane. The microcapsule core was formed by crosslinking sodium alginate with either calcium or barium ions. The crosslinked alginate core was uniformly coated with a chitosan layer and crosslinked with Na-TPP. In the case of calcium alginate, the phosphate ions of Na-TPP were able to extract the calcium ions from alginate and liquefy the core. A model enzyme, beta-galactosidase, was immobilized in the alginate core and the catalytic activity was measured with o-nitrophenyl-beta-D-galactopyranoside (ONPG). Change in the activity of free and immobilized enzyme was determined at three different temperatures. Na-TPP crosslinked chitosan membranes were found to be permeable to solutes of up to 17,000Da molecular weight. The enzyme loading efficiency was higher in the barium alginate core (100%) as compared to the calcium alginate core (60%). The rate of ONPG conversion to o-nitrophenol was faster in the case of calcium alginate-chitosan microcapsules as compared to barium alginate-chitosan microcapsules. Barium alginate-chitosan microcapsules, however, did improve the stability of the enzyme at 37 degrees C relative to calcium alginate-chitosan microcapsules or free enzyme. This study illustrates a new method of enzyme immobilization for biotechnology applications using liquid or solid core and shell microcapsule technology.

Effect of a commercial housing system on egg quality during extended storage.

PubMed

Jones, D R; Karcher, D M; Abdo, Z

2014-05-01

Egg producers in the United States are utilizing a variety of commercial egg production systems to provide consumer choice and meet legislative requirements. Consumer egg grades in the United States were developed for conventional cage production, and it is unclear what effect alternative production systems might have on egg quality during retail and consumer home storage. The current study was undertaken to determine what changes in egg quality characteristics occur during extended cold storage for commercially produced conventional cage, enriched colony cage, and cage-free aviary eggs. During 12 wk of cold storage, egg weight, albumen height, Haugh unit, static compression shell strength, vitelline membrane strength and deformation, yolk index, shell dynamic stiffness, and whole egg total solids were monitored. Overall, aviary and enriched eggs were significantly (P < 0.05) heavier than conventional cage. Albumen height and Haugh unit (P < 0.05) were significantly greater for conventional cage than enriched eggs. Static compression shell strength was greatest (P < 0.05) for enriched eggs compared with aviary. No overall housing system effects for yolk measurements, shell dynamic stiffness, or whole egg total solids were observed. Albumen height, Haugh unit, and yolk quality measurements were all greatest at 0 and lowest at 12 wk of storage (P < 0.05). The rate of quality change among the housing systems for each measured attribute at 4, 6, and 12 wk was determined. Other than differences in the change of egg weight at 4 wk, no significant differences in the rate of quality decline were found among the housing systems. The results of the current study indicate that current US egg quality standards should effectively define quality for commercially produced conventional cage, enriched colony cage, and cage-free aviary eggs.

Lattice Vibrations Boost Demagnetization Entropy in Shape Memory Alloy

DOE PAGES

Stonaha, Paul J.; Manley, Michael E.; Bruno, Nick; ...

2015-10-07

Magnetocaloric (MC) materials present an avenue for chemical-free, solid state refrigeration through cooling via adiabatic demagnetization. We have used inelastic neutron scattering to measure the lattice dynamics in the MC material Ni 45Co 5Mn 36.6In 13.4. Upon heating across TC, the material exhibits an anomalous increase in phonon entropy of 0.17 0.04 k_B/atom, which is nine times larger than expected from conventional thermal expansion. We find that the phonon softening is focused in a transverse optic phonon, and we present the results of first-principle calculations which predict a strong coupling between lattice distortions and magnetic excitations.

Neutron molecular spectroscopy using a white beam time-of-flight spectrometer

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

Chen, S.; Jorgensen, J.D.; Berney, C.V.

1978-01-01

An inverted-geometry white beam TOF neutron spectrometer using an extended graphite crystal analyzer was constructed at the CP-5 reactor at Argonne. A performance test of the spectrometer for incoherent inelastic scattering studies was made with five selected molecular solids. The results demonstrate the utility of such a spectrometer for investigation of lattice vibrational spectra of hydrogenous compounds in the energy range 0--400 cm/sup -1/. We describe design considerations and energy resolution of the spectrometer, and discuss observed low-frequency spectra of acetic acid (CH/sub 3/COOH, CD/sub 3/COOH, and CH/sub 3/COOD), cyclohexane, and cyclopentane.

Al{sub 2}O{sub 3} - TiO{sub 2}-A simple sol-gel strategy to the synthesis of low temperature sintered alumina-aluminium titanate composites through a core-shell approach

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

Jayasankar, M.; Ananthakumar, S.; Mukundan, P.

A simple sol-gel based core-shell approach for the synthesis of alumina-aluminium titanate composite is reported. Alumina is the core and titania is the shell. The coating of titania has been performed in aqueous medium on alumina particle by means of heterocoagulation of titanyl chloride. Further heat treatment results in low temperature formation of aluminium titanate as well as low temperature sintering of alumina-aluminium titanate composites. The lowering of the reaction temperature can be attributed to the maximisation of the contact surface between the reactants due to the core-shell approach involving nanoparticles. The mechanism of formation of aluminium titanate and themore » observations on densification features in the present process are compared with that of mixture of oxides under identical conditions. The sintered alumina-aluminium titanate composite has an average grain size of 2 {mu}m. - Graphical abstract: The article presents a simple sol-gel process through core-shell approach to the synthesis of low temperature sintered alumina-aluminium titanate. The lowering of the reaction temperature can be attributed to the maximisation of the contact surface between the reactant due to the core-shell approach. This material showed the better microstructure control compared to the standard solid-state mixing route.« less

Kinetic investigation of narrow-bore columns packed with prototype sub-2 μm superficially porous particles with various shell thickness.

PubMed

Gritti, Fabrice; Omamogho, Jesse; Guiochon, Georges

2011-10-07

The recent successful breakthrough of sub-3 μm shell particles in HPLC has triggered considerable research efforts toward the design of new brands of core-shell particles. We investigated the mass transfer mechanism of a few analytes in narrow-bore columns packed with prototype 1.7 μm shell particles, made of 1.0, 1.2, and 1.4 μm solid nonporous cores surrounded by porous shells 350, 250, and 150 nm thick, respectively. Three probe solutes, uracil, naphthalene, and insulin, were chosen to assess the kinetic performance of these columns. Inverse size exclusion chromatography, peak parking experiments, and the numerical integration of the experimental peak profiles were carried out in order to measure the external, internal, and total column porosities, the true bulk diffusion coefficients of these analytes, the height equivalent to a theoretical plate, the longitudinal diffusion term, and the trans-particle mass transfer resistance term. The residual eddy diffusion term was measured by difference. The results show the existence of important trans-column velocity biases (7%) possibly due to the presence of particle multiplets in the slurry mixture used during the packing process. Our results illustrates some of the difficulties encountered by scientists preparing and packing shell particles into narrow-bore columns. Copyright © 2011 Elsevier B.V. All rights reserved.

Zirconium(IV) oxide: New coating material for nanoresonators for shell-isolated nanoparticle-enhanced Raman spectroscopy

NASA Astrophysics Data System (ADS)

Krajczewski, Jan; Abdulrahman, Heman Burhanalden; Kołątaj, Karol; Kudelski, Andrzej

2018-03-01

One tool that can be used for determining the structure and composition of surfaces of various materials (even in in situ conditions) is shell-isolated nanoparticle-enhanced Raman spectroscopy (SHINERS). In SHINERS measurements, the surface under investigation is covered with a layer of surface-protected plasmonic nanoparticles, and then the Raman spectrum of the surface analysed is recorded. The plasmonic cores of the used core-shell structures act as electromagnetic nanoresonators, significantly locally enhancing the intensity of the electric field of the incident radiation, leading to a large increase in the efficiency of the generation of the Raman signal from molecules in the close proximity to the deposited SHINERS nanoresonators. A protective layer (from transparent dielectrics such as SiO2, Al2O3 or TiO2) prevents direct interaction between the plasmonic metal and the analysed surface (such interactions may lead to changes in the structure of the surface) and, in the case of plasmonic cores other than gold cores, the dielectric layer increases the chemical stability of the metal core. In this contribution, we show for the first time that core-shell nanoparticles having a silver core (both a solid and hollow one) and a shell of zirconium(IV) oxide are very efficient SHINERS nanoresonators that are significantly more stable in acidic and alkaline media than the silver-silica core-shell structures typically used for SHINERS experiments.

Resonance frequencies of lipid-shelled microbubbles in the regime of nonlinear oscillations

PubMed Central

Doinikov, Alexander A.; Haac, Jillian F.; Dayton, Paul A.

2009-01-01

Knowledge of resonant frequencies of contrast microbubbles is important for the optimization of ultrasound contrast imaging and therapeutic techniques. To date, however, there are estimates of resonance frequencies of contrast microbubbles only for the regime of linear oscillation. The present paper proposes an approach for evaluating resonance frequencies of contrast agent microbubbles in the regime of nonlinear oscillation. The approach is based on the calculation of the time-averaged oscillation power of the radial bubble oscillation. The proposed procedure was verified for free bubbles in the frequency range 1–4 MHz and then applied to lipid-shelled microbubbles insonified with a single 20-cycle acoustic pulse at two values of the acoustic pressure amplitude, 100 kPa and 200 kPa, and at four frequencies: 1.5, 2.0, 2.5, and 3.0 MHz. It is shown that, as the acoustic pressure amplitude is increased, the resonance frequency of a lipid-shelled microbubble tends to decrease in comparison with its linear resonance frequency. Analysis of existing shell models reveals that models that treat the lipid shell as a linear viscoelastic solid appear may be challenged to provide the observed tendency in the behavior of the resonance frequency at increasing acoustic pressure. The conclusion is drawn that the further development of shell models could be improved by the consideration of nonlinear rheological laws. PMID:18977009

Photonic jet with ultralong working distance by hemispheric shell.

PubMed

Hengyu, Zhu; Zaichun, Chen; Chong, Chong Tow; Minghui, Hong

2015-03-09

Micro-particle assisted nano-imaging has proven its success in the past few years since it can magnify the nano-objects, especially the metallic objects, into an image then collected by a conventional microscope. Micro-shell, which is a novel design of micro-particle in the configuration of a hemisphere with a hollow core region, is proposed and optimized in this paper in order to obtain a long photonic jet far away from its flat surface, thus increasing its working distance. Its dependence on the configuration and refractive index is investigated numerically. A micro-shell with the outer and inner radii of 5 and 2.5 µm and the refractive index of 1.5 can focus the incident light of 400 nm wavelength 2.7 µm away from the micro-shell flat surface, although the photonic jet intensity decreases to 25.8% compared to the solid hemisphere. Meanwhile, the photonic jet length of the micro-shell under the incident light of 400 nm and 1000 nm wavelengths are 1.7 µm and 4.3 µm, respectively, because its hollow core region tends to reduce the angle variation of the Poynting vectors in the photonic jet. With the long working distance and long photonic jet, the micro-shell could be used to scan over a sample to obtain a large area image when coupled with a conventional microscope, which is especially useful for the samples with the rough surfaces.

Description of nuclear systems with a self-consistent configuration-mixing approach. II. Application to structure and reactions in even-even s d -shell nuclei

NASA Astrophysics Data System (ADS)

Robin, C.; Pillet, N.; Dupuis, M.; Le Bloas, J.; Peña Arteaga, D.; Berger, J.-F.

2017-04-01

Background: The variational multiparticle-multihole configuration mixing approach to nuclei has been proposed about a decade ago. While the first applications followed rapidly, the implementation of the full formalism of this method has only been recently completed and applied in C. Robin, N. Pillet, D. Peña Arteaga, and J.-F. Berger, [Phys. Rev. C 93, 024302 (2016)], 10.1103/PhysRevC.93.024302 to 12C as a test-case. Purpose: The main objective of the present paper is to carry on the study that was initiated in that reference, in order to put the variational multiparticle-multihole configuration mixing method to more stringent tests. To that aim we perform a systematic study of even-even s d -shell nuclei. Method: The wave function of these nuclei is taken as a configuration mixing built on orbitals of the s d -shell, and both the mixing coefficients of the nuclear state and the single-particle wave functions are determined consistently from the same variational principle. As in the previous works, the calculations are done using the D1S Gogny force. Results: Various ground-state properties are analyzed. In particular, the correlation content and composition of the wave function as well as the single-particle orbitals and energies are examined. Binding energies and charge radii are also calculated and compared to experiment. The description of the first excited state is also examined and the corresponding transition densities are used as input for the calculation of reaction processes such as inelastic electron and proton scattering. Special attention is paid to the effect of the optimization of the single-particle states consistently with the correlations of the system. Conclusions: The variational multiparticle-multihole configuration mixing approach is systematically applied to the description of even-even s d -shell nuclei. Globally, the results are satisfying and encouraging. In particular, charge radii and excitation energies are nicely reproduced. However, the chosen valence-space truncation scheme precludes achieving maximum collectivity in the studied nuclei. Further refinement of the method and a better-suited interaction are necessary to remedy this situation.

Inelastic off-fault response and three-dimensional dynamics of earthquake rupture on a strike-slip fault

USGS Publications Warehouse

Andrews, D.J.; Ma, Shuo

2010-01-01

Large dynamic stress off the fault incurs an inelastic response and energy loss, which contributes to the fracture energy, limiting the rupture and slip velocity. Using an explicit finite element method, we model three-dimensional dynamic ruptures on a vertical strike-slip fault in a homogeneous half-space. The material is subjected to a pressure-dependent Drucker-Prager yield criterion. Initial stresses in the medium increase linearly with depth. Our simulations show that the inelastic response is confined narrowly to the fault at depth. There the inelastic strain is induced by large dynamic stresses associated with the rupture front that overcome the effect of the high confining pressure. The inelastic zone increases in size as it nears the surface. For material with low cohesion (~5 MPa) the inelastic zone broadens dramatically near the surface, forming a "flowerlike" structure. The near-surface inelastic strain occurs in both the extensional and the compressional regimes of the fault, induced by seismic waves ahead of the rupture front under a low confining pressure. When cohesion is large (~10 MPa), the inelastic strain is significantly reduced near the surface and confined mostly to depth. Cohesion, however, affects the inelastic zone at depth less significantly. The induced shear microcracks show diverse orientations near the surface, owing to the low confining pressure, but exhibit mostly horizontal slip at depth. The inferred rupture-induced anisotropy at depth has the fast wave direction along the direction of the maximum compressive stress.

Dynamic acoustic radiation force acting on cylindrical shells: theory and simulations.

PubMed

Mitri, F G; Fatemi, M

2005-05-01

An object placed in an acoustic field is known to experience a force due to the transfer of momentum from the wave to the object itself. This force is known to be steady when the incident field is considered to be continuous with constant amplitude. One may define the dynamic (oscillatory) radiation force for a continuous wave-field whose intensity varies slowly with time. This paper extends the theory of the dynamic acoustic radiation force resulting from an amplitude-modulated progressive plane wave-field incident on solid cylinders to the case of solid cylindrical shells with particular emphasis on their thickness and contents of their hollow regions. A new factor corresponding to the dynamic radiation force is defined as Y(d) and stands for the dynamic radiation force per unit energy density and unit cross sectional surface. The results of numerical calculations are presented, indicating the ways in which the form of the dynamic radiation force function curves are affected by variations in the material mechanical parameters and by changes in the interior fluid inside the shell's hollow region. It was shown that the dynamic radiation force function Y(d) deviates from the static radiation force function for progressive waves Y(p) when the modulation frequency increases. These results indicate that the theory presented here is broader than the existing theory on cylinders.

VUV/XUV measurements of impurity emission in plasmas with liquid lithium surfaces on LTX [VUV/XUV measurements of low recycling plasmas with liquid lithium surfaces on LTX

DOE PAGES

Tritz, Kevin; Bell, Ronald E.; Beiersdorfer, Peter; ...

2014-11-12

The VUV/XUV spectrum has been measured on the Lithium Tokamak eXperiment (LTX) using a transmission grating imaging spectrometer (TGIS) coupled to a direct-detection x-ray charge-coupled device camera. TGIS data show significant changes in the ratios between the lithium and oxygen impurity line emission during discharges with varying lithium wall conditions. Lithium coatings that have been passivated by lengthy exposure to significant levels of impurities contribute to a large O/Li ratio measured during LTX plasma discharges. Furthermore, previous results have indicated that a passivated lithium film on the plasma facing components will function as a stronger impurity source when in themore » form of a hot liquid layer compared to a solid lithium layer. However, recent TGIS measurements of plasma discharges in LTX with hot stainless steel boundary shells and a fresh liquid lithium coating show lower O/Li impurity line ratios when compared to discharges with a solid lithium film on cool shells. In conclusion, these new measurements help elucidate the somewhat contradictory results of the effects of solid and liquid lithium on plasma confinement observed in previous experiments.« less

Kinetic Modelling of the Pyrolysis of Biomass for the Development of Charcoal Briquette

NASA Astrophysics Data System (ADS)

Idris, Y. R.; Bayu, H. T.; Wintoko, J.; Murachman, B.; Yuliansyah, A. T.; Purwono, S.

2017-06-01

Waste of biomass can be utilized as an energy alternative such as a charcoal briquette. In the waste of biomass, there is carbon element bonded in the cellulose which can be utilized as an energy source of solid fuel. Charcoal briquette from waste of biomass can be developed via pyrolysis process. Terminalia Catappa L. and Myristica fragrans (nutmeg seeds shells) shells were used as raw material for the manufacture of charcoal briquettes. Pyrolysis process took place under isothermal conditions at a temperature of 350°C, 400°C, 450°C, 500°C, and 550°C with variation of times were 30 minutes, 60 minutes and 90 minutes. During the pyrolysis process, there were three main components observed, namely liquid (bio oil), gases and solids (char). Data obtained for measuring the kinetics of liquids and gases were taken in interval of 5 minutes. The results showed that the rise in temperature will increase the rate of pyrolysis process and increase the yield of gases and liquids as well as lowering the yield for solid. The best fitted kinetic model is the representation of biomass pyrolysis process involving secondary decomposition of the liquid. The results of briquette development showed that these two biomasses can be used as raw material of energy alternative.

Key Role of Nitrate in Phase Transitions of Urban Particles: Implications of Important Reactive Surfaces for Secondary Aerosol Formation

NASA Astrophysics Data System (ADS)

Sun, Jiaxing; Liu, Lei; Xu, Liang; Wang, Yuanyuan; Wu, Zhijun; Hu, Min; Shi, Zongbo; Li, Yongjie; Zhang, Xiaoye; Chen, Jianmin; Li, Weijun

2018-01-01

Ammonium sulfate (AS) and ammonium nitrate (AN) are key components of urban fine particles. Both field and model studies showed that heterogeneous reactions of SO2, NO2, and NH3 on wet aerosols accelerated the haze formation in northern China. However, little is known on phase transitions of AS-AN containing haze particles. Here hygroscopic properties of laboratory-generated AS-AN particles and individual particles collected during haze events in an urban site were investigated using an individual particle hygroscopicity system. AS-AN particles showed a two-stage deliquescence at mutual deliquescence relative humidity (MDRH) and full deliquescence relative humidity (DRH) and three physical states: solid before MDRH, solid-aqueous between MDRH and DRH, and aqueous after DRH. During hydration, urban haze particles displayed a solid core and aqueous shell at RH = 60-80% and aqueous phase at RH > 80%. Most particles were in aqueous phase at RH > 50% during dehydration. Our results show that AS content in individual particles determines their DRH and AN content determines their MDRH. AN content increase can reduce MDRH, which indicates occurrence of aqueous shell at lower RH. The humidity-dependent phase transitions of nitrate-abundant urban particles are important to provide reactive surfaces of secondary aerosol formation in the polluted air.

Electron Inelastic-Mean-Free-Path Database

National Institute of Standards and Technology Data Gateway

SRD 71 NIST Electron Inelastic-Mean-Free-Path Database (PC database, no charge)   This database provides values of electron inelastic mean free paths (IMFPs) for use in quantitative surface analyses by AES and XPS.

Limpet Shells from the Aterian Level 8 of El Harhoura 2 Cave (Témara, Morocco): Preservation State of Crossed-Foliated Layers.

PubMed

Nouet, Julius; Chevallard, Corinne; Farre, Bastien; Nehrke, Gernot; Campmas, Emilie; Stoetzel, Emmanuelle; El Hajraoui, Mohamed Abdeljalil; Nespoulet, Roland

2015-01-01

The exploitation of mollusks by the first anatomically modern humans is a central question for archaeologists. This paper focuses on level 8 (dated around ∼ 100 ka BP) of El Harhoura 2 Cave, located along the coastline in the Rabat-Témara region (Morocco). The large quantity of Patella sp. shells found in this level highlights questions regarding their origin and preservation. This study presents an estimation of the preservation status of these shells. We focus here on the diagenetic evolution of both the microstructural patterns and organic components of crossed-foliated shell layers, in order to assess the viability of further investigations based on shell layer minor elements, isotopic or biochemical compositions. The results show that the shells seem to be well conserved, with microstructural patterns preserved down to sub-micrometric scales, and that some organic components are still present in situ. But faint taphonomic degradations affecting both mineral and organic components are nonetheless evidenced, such as the disappearance of organic envelopes surrounding crossed-foliated lamellae, combined with a partial recrystallization of the lamellae. Our results provide a solid case-study of the early stages of the diagenetic evolution of crossed-foliated shell layers. Moreover, they highlight the fact that extreme caution must be taken before using fossil shells for palaeoenvironmental or geochronological reconstructions. Without thorough investigation, the alteration patterns illustrated here would easily have gone unnoticed. However, these degradations are liable to bias any proxy based on the elemental, isotopic or biochemical composition of the shells. This study also provides significant data concerning human subsistence behavior: the presence of notches and the good preservation state of limpet shells (no dissolution/recrystallization, no bioerosion and no abrasion/fragmentation aspects) would attest that limpets were gathered alive with tools by Middle Palaeolithic (Aterian) populations in North Africa for consumption.

Direct Evidence of Significant Cation Intermixing in Upconverting Core@Shell Nanocrystals: Toward a New Crystallochemical Model

DOE PAGES

Hudry, Damien; Busko, Dmitry; Popescu, Radian; ...

2017-11-02

Core@shell design represents an important class of architectures because of its capability to dramatically increase the absolute upconversion quantum yield (UCQY) of upconverting nanocrystals (UCNCs) but also to tune energy migration pathways. A relatively new trend towards the use of very thick optically inert shells affording significantly higher absolute UCQYs raises the question of the crystallographic and chemical characteristics of such nanocrystals (NCs). In this article, local chemical analyses performed by scanning transmission electron microscopy (STEM) combined with energy dispersive x-ray spectroscopy (EDXS) and x-ray total scattering experiments together with pair distribution function (PDF) analyses were used to probe themore » local chemical and structural characteristics of hexagonal β-NaGd0.78Yb0.2Er0.02F4@NaYF4 core@shell UCNCs. The investigations lead to a new crystallochemical model to describe core@shell UCNCs that considerably digresses from the commonly accepted epitaxial growth concept with sharp interfaces. The results obtained on ultra-small (4.8 ± 0.5 nm) optically active cores (β-NaGd0.78Yb0.2Er0.02F4) surrounded by an optically inert shell (NaYF4) of tunable thickness (roughly 0, 1, 2, and 3.5 nm) clearly indicate the massive dissolution of the starting seeds and the inter-diffusion of the shell element (such as Y) into the Gd/Yb/Er-containing core giving rise to the formation of a non-homogeneous solid solution characterized by concentration gradients and the lack of sharp interfaces. Independently of the inert shell thickness, core/interface/shell architectures were observed for all synthesized UCNCs. The presented results constitute a significant step towards the comprehensive understanding of the “structure - property” relationship of upconverting core@shell architectures, which is of prime interest not only in the development of more efficient structures but also to provide new physical insights at the nanoscale to better explain upconversion (UC) properties alterations.« less

Tidal dissipation in the subsurface ocean of Enceladus

NASA Astrophysics Data System (ADS)

Matsuyama, I.; Hay, H.; Nimmo, F.; Kamata, S.

2017-12-01

Icy satellites of the outer solar system have emerged as potential habitable worlds due to the presence of subsurface oceans. As a long-term energy source, tidal heating in these oceans can influence the survivability of subsurface oceans, and the thermal, rotational, and orbital evolution of these satellites. Additionally, the spatial and temporal variation of tidal heating has implications for the interior structure and spacecraft observations. Previous models for dissipation in thin oceans are not generally applicable to icy satellites because either they ignore the presence of an overlying solid shell or use a thin shell membrane approximation. We present a new theoretical treatment for tidal dissipation in thin oceans with overlying shells of arbitrary thickness and apply it to Enceladus. The shell's resistance to ocean tides increases with shell thickness, reducing tidal dissipation as expected. Both the magnitude of energy dissipation and the resonant ocean thicknesses decrease as the overlying shell thickness increases, as previously shown using a membrane approximation. In contrast to previous work based on the traditional definition of the tidal quality factor, Q, our new definition is consistent with higher energy dissipation for smaller Q, and introduces a lower limit on Q. The dissipated power and tides are not in phase with the forcing tidal potential due to the delayed ocean response. The phase lag depends on the Rayleigh friction coefficient and ocean and shell thicknesses, which implies that phase lag observations can be used to constrain these parameters. Eccentricity heating produces higher dissipation near the poles, while obliquity heating produces higher dissipation near the equator, in contrast to the dissipation patterns in the shell. The time-averaged surface distribution of tidal heating can generate lateral shell thickness variations, providing an additional constraint on the Rayleigh friction coefficient. Explaining the endogenic power radiated from the south polar terrain requires shell thicknesses smaller than about 1 km, a value that is not consistent with recent libration, gravity and topography constraints.

Direct Evidence of Significant Cation Intermixing in Upconverting Core@Shell Nanocrystals: Toward a New Crystallochemical Model

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

Hudry, Damien; Busko, Dmitry; Popescu, Radian

Core@shell design represents an important class of architectures because of its capability to dramatically increase the absolute upconversion quantum yield (UCQY) of upconverting nanocrystals (UCNCs) but also to tune energy migration pathways. A relatively new trend towards the use of very thick optically inert shells affording significantly higher absolute UCQYs raises the question of the crystallographic and chemical characteristics of such nanocrystals (NCs). In this article, local chemical analyses performed by scanning transmission electron microscopy (STEM) combined with energy dispersive x-ray spectroscopy (EDXS) and x-ray total scattering experiments together with pair distribution function (PDF) analyses were used to probe themore » local chemical and structural characteristics of hexagonal β-NaGd0.78Yb0.2Er0.02F4@NaYF4 core@shell UCNCs. The investigations lead to a new crystallochemical model to describe core@shell UCNCs that considerably digresses from the commonly accepted epitaxial growth concept with sharp interfaces. The results obtained on ultra-small (4.8 ± 0.5 nm) optically active cores (β-NaGd0.78Yb0.2Er0.02F4) surrounded by an optically inert shell (NaYF4) of tunable thickness (roughly 0, 1, 2, and 3.5 nm) clearly indicate the massive dissolution of the starting seeds and the inter-diffusion of the shell element (such as Y) into the Gd/Yb/Er-containing core giving rise to the formation of a non-homogeneous solid solution characterized by concentration gradients and the lack of sharp interfaces. Independently of the inert shell thickness, core/interface/shell architectures were observed for all synthesized UCNCs. The presented results constitute a significant step towards the comprehensive understanding of the “structure - property” relationship of upconverting core@shell architectures, which is of prime interest not only in the development of more efficient structures but also to provide new physical insights at the nanoscale to better explain upconversion (UC) properties alterations.« less

Limpet Shells from the Aterian Level 8 of El Harhoura 2 Cave (Témara, Morocco): Preservation State of Crossed-Foliated Layers

PubMed Central

Nouet, Julius; Chevallard, Corinne; Farre, Bastien; Nehrke, Gernot; Campmas, Emilie; Stoetzel, Emmanuelle; El Hajraoui, Mohamed Abdeljalil; Nespoulet, Roland

2015-01-01

The exploitation of mollusks by the first anatomically modern humans is a central question for archaeologists. This paper focuses on level 8 (dated around ∼ 100 ka BP) of El Harhoura 2 Cave, located along the coastline in the Rabat-Témara region (Morocco). The large quantity of Patella sp. shells found in this level highlights questions regarding their origin and preservation. This study presents an estimation of the preservation status of these shells. We focus here on the diagenetic evolution of both the microstructural patterns and organic components of crossed-foliated shell layers, in order to assess the viability of further investigations based on shell layer minor elements, isotopic or biochemical compositions. The results show that the shells seem to be well conserved, with microstructural patterns preserved down to sub-micrometric scales, and that some organic components are still present in situ. But faint taphonomic degradations affecting both mineral and organic components are nonetheless evidenced, such as the disappearance of organic envelopes surrounding crossed-foliated lamellae, combined with a partial recrystallization of the lamellae. Our results provide a solid case-study of the early stages of the diagenetic evolution of crossed-foliated shell layers. Moreover, they highlight the fact that extreme caution must be taken before using fossil shells for palaeoenvironmental or geochronological reconstructions. Without thorough investigation, the alteration patterns illustrated here would easily have gone unnoticed. However, these degradations are liable to bias any proxy based on the elemental, isotopic or biochemical composition of the shells. This study also provides significant data concerning human subsistence behavior: the presence of notches and the good preservation state of limpet shells (no dissolution/recrystallization, no bioerosion and no abrasion/fragmentation aspects) would attest that limpets were gathered alive with tools by Middle Palaeolithic (Aterian) populations in North Africa for consumption. PMID:26376294

Isogeometric Kirchhoff-Love shell formulations for biological membranes

PubMed Central

Tepole, Adrián Buganza; Kabaria, Hardik; Bletzinger, Kai-Uwe; Kuhl, Ellen

2015-01-01

Computational modeling of thin biological membranes can aid the design of better medical devices. Remarkable biological membranes include skin, alveoli, blood vessels, and heart valves. Isogeometric analysis is ideally suited for biological membranes since it inherently satisfies the C1-requirement for Kirchhoff-Love kinematics. Yet, current isogeometric shell formulations are mainly focused on linear isotropic materials, while biological tissues are characterized by a nonlinear anisotropic stress-strain response. Here we present a thin shell formulation for thin biological membranes. We derive the equilibrium equations using curvilinear convective coordinates on NURBS tensor product surface patches. We linearize the weak form of the generic linear momentum balance without a particular choice of a constitutive law. We then incorporate the constitutive equations that have been designed specifically for collagenous tissues. We explore three common anisotropic material models: Mooney-Rivlin, May Newmann-Yin, and Gasser-Ogden-Holzapfel. Our work will allow scientists in biomechanics and mechanobiology to adopt the constitutive equations that have been developed for solid three-dimensional soft tissues within the framework of isogeometric thin shell analysis. PMID:26251556

Mechanochemical Synthesis of Li2MnO3 Shell/LiMO2 (M = Ni, Co, Mn) Core-Structured Nanocomposites for Lithium-Ion Batteries

PubMed Central

Noh, Jae-Kyo; Kim, Soo; Kim, Haesik; Choi, Wonchang; Chang, Wonyoung; Byun, Dongjin; Cho, Byung-Won; Chung, Kyung Yoon

2014-01-01

Core/shell-like nanostructured xLi2MnO3·(1−x)LiMO2 (M = Ni, Co, Mn) composite cathode materials are successfully synthesized through a simple solid-state reaction using a mechanochemical ball-milling process. The LiMO2 core is designed to have a high-content of Ni, which increases the specific capacity. The detrimental surface effects arising from the high Ni-content are countered by the Li2MnO3 shell, which stabilizes the nanoparticles. The electrochemical performances and thermal stabilities of the synthesized nanocomposites are compared with those of bare LiMO2. In particular, the results of time-resolved X-ray diffraction (TR-XRD) analyses of xLi2MnO3·(1−x)LiMO2 nanocomposites as well as their differential scanning calorimetry (DSC) profiles demonstrate that the Li2MnO3 shell is effective in stabilizing the LiMO2 core at high temperatures, making the nanocomposites highly suitable from a safety viewpoint. PMID:24784478

Quantum plasmonics: optical properties of a nanomatryushka.

PubMed

Kulkarni, Vikram; Prodan, Emil; Nordlander, Peter

2013-01-01

Quantum mechanical effects can significantly reduce the plasmon-induced field enhancements around nanoparticles. Here we present a quantum mechanical investigation of the plasmon resonances in a nanomatryushka, which is a concentric core-shell nanoparticle consisting of a solid metallic core encapsulated in a thin metallic shell. We compute the optical response using the time-dependent density functional theory and compare the results with predictions based on the classical electromagnetic theory. We find strong quantum mechanical effects for core-shell spacings below 5 Å, a regime where both the absorption cross section and the local field enhancements differ significantly from the classical predictions. We also show that the workfunction of the metal is a crucial parameter determining the onset and magnitude of quantum effects. For metals with lower workfunctions such as aluminum, the quantum effects are found to be significantly more pronounced than for a noble metal such as gold.

Elements for optimizing a one-step enzymatic bio-refinery process of shrimp cuticles: Focus on enzymatic proteolysis screening.

PubMed

Baron, R; Socol, M; Kaas, R; Arhaliass, A; Rodriguez Del Pino, J; Le Roux, K; Donnay-Moreno, C; Bergé, J P

2017-09-01

This article complements an earlier work published in 2015 Baron et al. (2015) that showed the interest of a shrimp shells bio-refining process. We compare here the effect of eleven commercial proteases at pH 3.5 or 4.0 on a residual amount of shrimp shells proteins after 6 h at 50 °C. The two pH are obtained when respectively 40 and 25 mmol of formic acid are added to 5 g of mild dried shell. Deproteinisation yield above 95% are obtained. Residual amino acids profile in the solid phase was identical for the eleven proteases except for pepsin which was similar to the raw material profile. A significant relative increase in the proportion of Glycine is observed for the ten other cases. Likewise, shapes of size exclusion chromatograms of the dissolved phase are similar except with pepsin.

Spontaneous formation of GaN/AlN core-shell nanowires on sapphire by hydride vapor phase epitaxy

NASA Astrophysics Data System (ADS)

Trassoudaine, Agnès; Roche, Elissa; Bougerol, Catherine; André, Yamina; Avit, Geoffrey; Monier, Guillaume; Ramdani, Mohammed Réda; Gil, Evelyne; Castelluci, Dominique; Dubrovskii, Vladimir G.

2016-11-01

Spontaneous GaN/AlN core-shell nanowires with high crystal quality were synthesized on sapphire substrates by vapor-liquid-solid hydride vapor phase epitaxy (VLS-HVPE) without any voluntary aluminum source. Deposition of aluminum is difficult to achieve in this growth technique which uses metal-chloride gaseous precursors: the strong interaction between the AlCl gaseous molecules and the quartz reactor yields a huge parasitic nucleation on the walls of the reactor upstream the substrate. We open up an innovative method to produce GaN/AlN structures by HVPE, thanks to aluminum etching from the sapphire substrate followed by redeposition onto the sidewalls of the GaN core. The paper presents the structural characterization of GaN/AlN core-shell nanowires, speculates on the growth mechanism and discusses a model which describes this unexpected behavior.

The endoskeletal origin of the turtle carapace

PubMed Central

Hirasawa, Tatsuya; Nagashima, Hiroshi; Kuratani, Shigeru

2013-01-01

The turtle body plan, with its solid shell, deviates radically from those of other tetrapods. The dorsal part of the turtle shell, or the carapace, consists mainly of costal and neural bony plates, which are continuous with the underlying thoracic ribs and vertebrae, respectively. Because of their superficial position, the evolutionary origins of these costo-neural elements have long remained elusive. Here we show, through comparative morphological and embryological analyses, that the major part of the carapace is derived purely from endoskeletal ribs. We examine turtle embryos and find that the costal and neural plates develop not within the dermis, but within deeper connective tissue where the rib and intercostal muscle anlagen develop. We also examine the fossils of an outgroup of turtles to confirm that the structure equivalent to the turtle carapace developed independently of the true osteoderm. Our results highlight the hitherto unravelled evolutionary course of the turtle shell. PMID:23836118

Effects of inherent/enhanced solid acidity and morphology of diatomite templates on the synthesis and porosity of hierarchically porous carbon.

PubMed

Liu, Dong; Yuan, Peng; Tan, Daoyong; Liu, Hongmei; Fan, Mingde; Yuan, Aihua; Zhu, Jianxi; He, Hongping

2010-12-21

The inherent or enhanced solid acidity of raw or activated diatomite is found to have significant effects on the synthesis of hierarchically porous diatomite-templated carbon with high surface area and special porous structure. The solid acidity makes raw/activated diatomite a catalyst for the generation of porous carbon, and the porous parameters of the carbon products are strongly dependent on the solid acidity of diatomite templates. The morphology of diatomite also dramatically affects the textural structure of porous carbon. Two types of macroporous structures in the carbon product, the partially solid pillars and the ordered hollow tubes, derive from the replication of the central and the edge pores of diatom shell, respectively. The hierarchically porous carbon shows good capability for the adsorption of solvent naphtha and H(2), enabling potential applications in adsorption and gas storage.

The Calculus of a Vase

ERIC Educational Resources Information Center

Scherger, Nicole

2012-01-01

Of the most universal applications in integral calculus are those involved with finding volumes of solids of revolution. These profound problems are typically taught with traditional approaches of the disk and shell methods, after which most calculus curriculums will additionally cover arc length and surfaces of revolution. Even in these visibly…

9 CFR 590.504 - General operating procedures.

Code of Federal Regulations, 2013 CFR

2013-01-01

... laboratory results for salmonella, or for other reasons such as labeling as to solids content, permit egg... to insure the immediate removal of blood and meat spots, shell particles, and foreign materials. (n... into consuming channels shall be pasteurized in accordance with § 590.570 except that dried whites...

9 CFR 590.504 - General operating procedures.

Code of Federal Regulations, 2014 CFR

2014-01-01

... laboratory results for salmonella, or for other reasons such as labeling as to solids content, permit egg... to insure the immediate removal of blood and meat spots, shell particles, and foreign materials. (n... into consuming channels shall be pasteurized in accordance with § 590.570 except that dried whites...

9 CFR 590.504 - General operating procedures.

Code of Federal Regulations, 2012 CFR

2012-01-01

... laboratory results for salmonella, or for other reasons such as labeling as to solids content, permit egg... to insure the immediate removal of blood and meat spots, shell particles, and foreign materials. (n... into consuming channels shall be pasteurized in accordance with § 590.570 except that dried whites...

NASA's Software Bank (CLIPS)

NASA Technical Reports Server (NTRS)

1991-01-01

C Language Integrated Production System (CLIPS) is a NASA Johnson Space Center developed software shell for developing expert systems, is used by researchers at Ohio State University to determine solid waste disposal sites to assist in historic preservation. The program has various other applications and has even been included in a widely-used textbook.

Rigidity of lattice domes

NASA Technical Reports Server (NTRS)

Savelyev, V. A.

1979-01-01

The means of ensuring total rigidity of lattice domes, using comparison with solid shells of 1-3 layers are discussed. Irregularities of manufacture, processing, and other factors are considered, as they relate to diminution of rigidity. The discussion uses the concepts of upper and lower critical loads on the structure in question.

Self-Assembled Core-Shell CdTe/Poly(3-hexylthiophene) Nanoensembles as Novel Donor-Acceptor Light-Harvesting Systems.

PubMed

Istif, Emin; Kagkoura, Antonia; Hernandez-Ferrer, Javier; Stergiou, Anastasios; Skaltsas, Theodosis; Arenal, Raul; Benito, Ana M; Maser, Wolfgang K; Tagmatarchis, Nikos

2017-12-27

The self-assembly of novel core-shell nanoensembles consisting of regioregular poly(3-hexylthiophene) nanoparticles (P3HT NPs ) of 100 nm as core and semiconducting CdTe quantum dots (CdTe QDs ) as shell with a thickness of a few tens of nanometers was accomplished by employing a reprecipitation approach. The structure, morphology, and composition of CdTe QDs /P3HT NPs nanoensembles were confirmed by high-resolution scanning transmission microscopy and dynamic light-scattering studies. Intimate interface contact between the CdTe QDs shell and the P3HT NPs core leads to the stabilization of the CdTe QDs /P3HT NPs nanoensemble as probed by the steady-state absorption spectroscopy. Effective quenching of the characteristic photoluminescence of CdTe QDs at 555 nm, accompanied by simultaneous increase in emission of P3HT NPs at 660 and 720 nm, reveals photoinduced charge-transfer processes. Probing the redox properties of films of CdTe QDs /P3HT NPs further proves the formation of a stabilized core-shell system in the solid state. Photoelectrochemical assays on CdTe QDs /P3HT NPs films show a reversible on-off photoresponse at a bias voltage of +0.8 V with a 3 times increased photocurrent compared to CdTe QDs . The improved charge separation is directly related to the unique core-shell configuration, in which the outer CdTe QDs shell forces the P3HT NPs core to effectively act as electron acceptor. The creation of novel donor-acceptor core-shell hybrid materials via self-assembly is transferable to other types of conjugated polymers and semiconducting nanoparticles. This work, therefore, opens new pathways for the design of improved optoelectronic devices.

A new multi-layer approach for progressive damage simulation in composite laminates based on isogeometric analysis and Kirchhoff-Love shells. Part II: impact modeling

NASA Astrophysics Data System (ADS)

Pigazzini, M. S.; Bazilevs, Y.; Ellison, A.; Kim, H.

2017-11-01

In this two-part paper we introduce a new formulation for modeling progressive damage in laminated composite structures. We adopt a multi-layer modeling approach, based on isogeometric analysis, where each ply or lamina is represented by a spline surface, and modeled as a Kirchhoff-Love thin shell. Continuum damage mechanics is used to model intralaminar damage, and a new zero-thickness cohesive-interface formulation is introduced to model delamination as well as permitting laminate-level transverse shear compliance. In Part I of this series we focus on the presentation of the modeling framework, validation of the framework using standard Mode I and Mode II delamination tests, and assessment of its suitability for modeling thick laminates. In Part II of this series we focus on the application of the proposed framework to modeling and simulation of damage in composite laminates resulting from impact. The proposed approach has significant accuracy and efficiency advantages over existing methods for modeling impact damage. These stem from the use of IGA-based Kirchhoff-Love shells to represent the individual plies of the composite laminate, while the compliant cohesive interfaces enable transverse shear deformation of the laminate. Kirchhoff-Love shells give a faithful representation of the ply deformation behavior, and, unlike solids or traditional shear-deformable shells, do not suffer from transverse-shear locking in the limit of vanishing thickness. This, in combination with higher-order accurate and smooth representation of the shell midsurface displacement field, allows us to adopt relatively coarse in-plane discretizations without sacrificing solution accuracy. Furthermore, the thin-shell formulation employed does not use rotational degrees of freedom, which gives additional efficiency benefits relative to more standard shell formulations.

A new multi-layer approach for progressive damage simulation in composite laminates based on isogeometric analysis and Kirchhoff-Love shells. Part I: basic theory and modeling of delamination and transverse shear

NASA Astrophysics Data System (ADS)

Bazilevs, Y.; Pigazzini, M. S.; Ellison, A.; Kim, H.

2017-11-01

In this two-part paper we introduce a new formulation for modeling progressive damage in laminated composite structures. We adopt a multi-layer modeling approach, based on Isogeometric Analysis (IGA), where each ply or lamina is represented by a spline surface, and modeled as a Kirchhoff-Love thin shell. Continuum Damage Mechanics is used to model intralaminar damage, and a new zero-thickness cohesive-interface formulation is introduced to model delamination as well as permitting laminate-level transverse shear compliance. In Part I of this series we focus on the presentation of the modeling framework, validation of the framework using standard Mode I and Mode II delamination tests, and assessment of its suitability for modeling thick laminates. In Part II of this series we focus on the application of the proposed framework to modeling and simulation of damage in composite laminates resulting from impact. The proposed approach has significant accuracy and efficiency advantages over existing methods for modeling impact damage. These stem from the use of IGA-based Kirchhoff-Love shells to represent the individual plies of the composite laminate, while the compliant cohesive interfaces enable transverse shear deformation of the laminate. Kirchhoff-Love shells give a faithful representation of the ply deformation behavior, and, unlike solids or traditional shear-deformable shells, do not suffer from transverse-shear locking in the limit of vanishing thickness. This, in combination with higher-order accurate and smooth representation of the shell midsurface displacement field, allows us to adopt relatively coarse in-plane discretizations without sacrificing solution accuracy. Furthermore, the thin-shell formulation employed does not use rotational degrees of freedom, which gives additional efficiency benefits relative to more standard shell formulations.

Coulomb matrix elements in multi-orbital Hubbard models.

PubMed

Bünemann, Jörg; Gebhard, Florian

2017-04-26

Coulomb matrix elements are needed in all studies in solid-state theory that are based on Hubbard-type multi-orbital models. Due to symmetries, the matrix elements are not independent. We determine a set of independent Coulomb parameters for a d-shell and an f-shell and all point groups with up to 16 elements (O h , O, T d , T h , D 6h , and D 4h ). Furthermore, we express all other matrix elements as a function of the independent Coulomb parameters. Apart from the solution of the general point-group problem we investigate in detail the spherical approximation and first-order corrections to the spherical approximation.

COLD TRAPS

DOEpatents

Thompson, W.I.

1958-09-30

A cold trap is presented for removing a condensable component from a gas mixture by cooling. It consists of a shell, the exterior surface of which is chilled by a refrigerant, and conductive fins welded inside the shell to condense the gas, and distribute the condensate evenly throughout the length of the trap, so that the trap may function until it becomes completely filled with the condensed solid. The contents may then be removed as either a gas or as a liquid by heating the trap. This device has particuinr use as a means for removing uranium hexafluoride from the gaseous diffusion separation process during equipment breakdown and repair periods.

Preparation of core-shell Ti-Nb oxide nanocrystals

NASA Astrophysics Data System (ADS)

Simakov, David S. A.; Tsur, Yoed

2008-01-01

Nanosized powders of Ti-Nb oxide core-shell nanocrystals with atomic ratios of Nb/Ti = 0.11, 0.25, and 0.38 have been prepared by two preparation routes. The first route was co-precipitation, followed by␣annealing, using NbCl5 as a source of Nb. The second route was coating of pure TiO2 nanocrystals by Nb-isopropoxide in liquid medium, followed by impregnation of the Nb into the nanoparticles by annealing. Both methods yielded anatase nanocrystals with a Nb-rich shell and a core, which had much lower Nb loadings. The anatase structure solid solution (with Nb incorporated) was stable under annealing up to 760°C. The particle size remained within the nanometric scale ( <50 nm) under heat-treatment up to 760°C. It has been shown that the fabricated powders can be redispersed in aqueous media by simple ultrasound treatment, resulting in nanosized dispersions. Using a variety of analytical techniques, including depth profiling of single nanocrystallites by AES combined with sputtering by Ar ions, the mechanism of the core-shell structure creation was studied. It is proposed that the formation of the core-shell structure is governed by solubility limitations in the co-precipitation route and by solubility and diffusion limitations in the coating-incorporation route.

Kinetics modelling of Cu(II) biosorption on to coconut shell and Moringa oleifera seeds from tropical regions.

PubMed

Acheampong, Mike A; Pereira, Joana P C; Meulepas, Roel J W; Lens, Piet N L

2012-01-01

Adsorption kinetic studies are of great significance in evaluating the performance of a given adsorbent and gaining insight into the underlying mechanism. This work investigated the sorption kinetics of Cu(II) on to coconut shell and Moringa oleifera seeds using batch techniques. To understand the mechanisms of the biosorption process and the potential rate-controlling steps, kinetic models were used to fit the experimental data. The results indicate that kinetic data were best described by the pseudo-second-order model with correlation coefficients (R2) of 0.9974 and 0.9958 for the coconut shell and Moringa oleifera seeds, respectively. The initial sorption rates obtained for coconut shell and Moringa oleifera seeds were 9.6395 x 10(-3) and 8.3292 x 10(-2) mg g(-1) min(-1), respectively. The values of the mass transfer coefficients obtained for coconut shell (1.2106 x 10(-3) cm s(-1)) and Moringa oleifera seeds (8.965 x 10(-4) cm s(-1)) indicate that the transport of Cu(II) from the bulk liquid to the solid phase was quite fast for both materials investigated. The results indicate that intraparticle diffusion controls the rate of sorption in this study; however, film diffusion cannot be neglected, especially at the initial stage of sorption.

Generalized Synthesis of Ternary Sulfide Hollow Structures with Enhanced Photocatalytic Performance for Degradation and Hydrogen Evolution.

PubMed

Ding, Shuoping; Liu, Xiufan; Shi, Yiqiu; Liu, Ye; Zhou, Tengfei; Guo, Zaiping; Hu, Juncheng

2018-05-17

A series of ternary sulfide hollow structures have been successfully prepared by a facile glutathione (GSH)-assisted one-step hydrothermal route, where GSH acts as the source of sulfur and bubble template. We demonstrate the feasibility and versatility of this in situ gas-bubble template strategy by the fabrication of novel hollow structures of MIn 2 S 4 (M = Cd, Zn, Ca, Mg, and Mn). Interestingly, with the reaction time varying, the hierarchical CdIn 2 S 4 microspheres with controlled internal structures can be regulated from yolk-shell, smaller yolk-shell (yolk-shell with shrunk yolk), hollow, to solid. Under visible-light irradiation, all of our prepared CdIn 2 S 4 samples with different morphologies were photoactivated. In virtue of the appealing hierarchical hollow structure, the yolk-shell-structured CdIn 2 S 4 microspheres exhibited the optimal photocatalytic activity and excellent durability for both the X 3 B degradation and H 2 evolution, which can be ascribed to the synergy-promoting effect of the small crystallite size together with the unique structural advantages of the yolk-shell structure. Thus, we hypothesize that this proof-of-concept strategy paves an example of rational design of hollow structured ternary or multinary sulfides with superior photochemical performance, holding great potential for future multifunctional applications.

Selective Removal of Hemoglobin from Blood Using Hierarchical Copper Shells Anchored to Magnetic Nanoparticles

PubMed Central

Wang, Yaokun; Yan, Mingyang

2017-01-01

Hierarchical copper shells anchored on magnetic nanoparticles were designed and fabricated to selectively deplete hemoglobin from human blood by immobilized metal affinity chromatography. Briefly, CoFe2O4 nanoparticles coated with polyacrylic acid were first synthesized by a one-pot solvothermal method. Hierarchical copper shells were then deposited by immobilizing Cu2+ on nanoparticles and subsequently by reducing between the solid CoFe2O4@COOH and copper solution with NaBH4. The resulting nanoparticles were characterized by scanning electron microscopy, transmission electron microscopy, Fourier transform infrared spectrometry, X-ray photoelectron spectroscopy, and vibrating sample magnetometry. The particles were also tested against purified bovine hemoglobin over a range of pH, contact time, and initial protein concentration. Hemoglobin adsorption followed pseudo-second-order kinetics and reached equilibrium in 90 min. Isothermal data also fit the Langmuir model well, with calculated maximum adsorption capacity 666 mg g−1. Due to the high density of Cu2+ on the shell, the nanoparticles efficiently and selectively deplete hemoglobin from human blood. Taken together, the results demonstrate that the particles with hierarchical copper shells effectively remove abundant, histidine-rich proteins, such as hemoglobin from human blood, and thereby minimize interference in diagnostic and other assays. PMID:28316987

Core-shell-structured nanothermites synthesized by atomic layer deposition

NASA Astrophysics Data System (ADS)

Qin, Lijun; Gong, Ting; Hao, Haixia; Wang, Keyong; Feng, Hao

2013-12-01

Thermite materials feature very exothermic solid-state redox reactions. However, the energy release rates of traditional thermite mixtures are limited by the reactant diffusion velocities. In this work, atomic layer deposition (ALD) is utilized to synthesize thermite materials with greatly enhanced reaction rates. By depositing certain types of metal oxides (oxidizers) onto a commercial Al nanopowder, core-shell-structured nanothermites can be produced. The average film deposition rate on the Al nanopowder is 0.17 nm/cycle for ZnO and 0.031 nm/cycle for SnO2. The thickness of the oxidizer layer can be precisely controlled by adjusting the ALD cycle number. The compositions, morphologies, and structures of the ALD nanothermites are characterized by X-ray photoelectron spectroscopy, scanning electron microscopy, and high-resolution transmission electron microscopy. The characterization results reveal nearly perfect coverage of the Al nanoparticles by uniform ALD oxidizer layers and confirm the formation of core-shell nanoparticles. Combustion properties of the nanothermites are probed by laser ignition technique. Reactions of the core-shell-structured nanothermites are several times faster than the mixture of nanopowders. The promoted reaction rate is mostly attributed to the uniform distribution of reactants on the nanometer scale. These core-shell-structured nanothermites provide a potential pathway to control and enhance thermite reactions.

How changing the particle structure can speed up protein mass transfer kinetics in liquid chromatography.

PubMed

Gritti, Fabrice; Horvath, Krisztian; Guiochon, Georges

2012-11-09

The mass transfer kinetics of a few compounds (uracil, 112 Da), insulin (5.5 kDa), lysozyme (13.4 kDa), and bovine serum albumin (BSA, 67 kDa) in columns packed with several types of spherical particles was investigated under non-retained conditions, in order to eliminate the poorly known contribution of surface diffusion to overall sample diffusivity across the porous particles in RPLC. Diffusivity across particles is then minimum. Based on the porosity of the particles accessible to analytes, it was accurately estimated from the elution times, the internal obstruction factor (using Pismen correlation), and the hindrance diffusion factor (using Renkin correlation). The columns used were packed with fully porous particles 2.5 μm Luna-C(18) 100 Å, core-shell particles 2.6 μm Kinetex-C(18) 100 Å, 3.6 μm Aeris Widepore-C(18) 200 Å, and prototype 2.7 μm core-shell particles (made of two concentric porous shells with 100 and 300 Å average pore size, respectively), and with 3.3 μm non-porous silica particles. The results demonstrate that the porous particle structure and the solid-liquid mass transfer resistance have practically no effect on the column efficiency for small molecules. For them, the column performance depends principally on eddy dispersion (packing homogeneity), to a lesser degree on longitudinal diffusion (effective sample diffusivity along the packed bed), and only slightly on the solid-liquid mass transfer resistance (sample diffusivity across the particle). In contrast, for proteins, this third HETP contribution, hence the porous particle structure, together with eddy dispersion govern the kinetic performance of columns. Mass transfer kinetics of proteins was observed to be fastest for columns packed with core-shell particles having either a large core-to-particle ratio or having a second, external, shell made of a thin porous layer with large mesopores (200-300 Å) and a high porosity (~/=0.5-0.7). The structure of this external shell seems to speed up the penetration of proteins into the particles. A stochastic model of the penetration of bulky proteins driven by a concentration gradient across an infinitely thin membrane of known porosity and pore size is suggested to explain this mechanism. Yet, under retained conditions, surface diffusion speeds up the mass transfer into the mesopores and levels the kinetic performance of particles built with either one or two porous shells. Copyright © 2012 Elsevier B.V. All rights reserved.

Gas Electron Multipler (GEM) detectors for parity-violating electron scattering experiments at Jefferson Lab

NASA Astrophysics Data System (ADS)

Matter, John; Gnanvo, Kondo; Liyanage, Nilanga; Solid Collaboration; Moller Collaboration

2017-09-01

The JLab Parity Violation In Deep Inelastic Scattering (PVDIS) experiment will use the upgraded 12 GeV beam and proposed Solenoidal Large Intensity Device (SoLID) to measure the parity-violating electroweak asymmetry in DIS of polarized electrons with high precision in order to search for physics beyond the Standard Model. Unlike many prior Parity-Violating Electron Scattering (PVES) experiments, PVDIS is a single-particle tracking experiment. Furthermore the experiment's high luminosity combined with the SoLID spectrometer's open configuration creates high-background conditions. As such, the PVDIS experiment has the most demanding tracking detector needs of any PVES experiment to date, requiring precision detectors capable of operating at high-rate conditions in PVDIS's full production luminosity. Developments in large-area GEM detector R&D and SoLID simulations have demonstrated that GEMs provide a cost-effective solution for PVDIS's tracking needs. The integrating-detector-based JLab Measurement Of Lepton Lepton Electroweak Reaction (MOLLER) experiment requires high-precision tracking for acceptance calibration. Large-area GEMs will be used as tracking detectors for MOLLER as well. The conceptual designs of GEM detectors for the PVDIS and MOLLER experiments will be presented.

Kinetic study of solid waste pyrolysis using distributed activation energy model.

PubMed

Bhavanam, Anjireddy; Sastry, R C

2015-02-01

The pyrolysis characteristics of municipal solid waste, agricultural residues such as ground nut shell, cotton husk and their blends are investigated using non-isothermal thermogravimetric analysis (TGA) with in a temperature range of 30-900 °C at different heating rates of 10 °C, 30 °C and 50 °C/min in inert atmosphere. From the thermograms obtained from TGA, it is observed that the maximum rate of degradation occurred in the second stage of the pyrolysis process for all the solid wastes. The distributed activation energy model (DAEM) is used to study the pyrolysis kinetics of the solid wastes. The kinetic parameters E (activation energy), k0 (frequency factor) are calculated from this model. It is found that the range of activation energies for agricultural residues are lower than the municipal solid waste. The activation energies for the municipal solid waste pyrolysis process drastically decreased with addition of agricultural residues. The proposed DAEM is successfully validated with TGA experimental data. Copyright © 2014 Elsevier Ltd. All rights reserved.

Topological triplon modes and bound states in a Shastry-Sutherland magnet

NASA Astrophysics Data System (ADS)

McClarty, P. A.; Krüger, F.; Guidi, T.; Parker, S. F.; Refson, K.; Parker, A. W.; Prabhakaran, D.; Coldea, R.

2017-08-01

The twin discoveries of the quantum Hall effect, in the 1980s, and of topological band insulators, in the 2000s, were landmarks in physics that enriched our view of the electronic properties of solids. In a nutshell, these discoveries have taught us that quantum mechanical wavefunctions in crystalline solids may carry nontrivial topological invariants which have ramifications for the observable physics. One of the side effects of the recent topological insulator revolution has been that such physics is much more widespread than was appreciated ten years ago. For example, while topological insulators were originally studied in the context of electron wavefunctions, recent work has initiated a hunt for topological insulators in bosonic systems: in photonic crystals, in the vibrational modes of crystals, and in the excitations of ordered magnets. Using inelastic neutron scattering along with theoretical calculations, we demonstrate that, in a weak magnetic field, the dimerized quantum magnet SrCu2(BO3)2 is a bosonic topological insulator with topologically protected chiral edge modes of triplon excitations.

Experimental verification of the shape of the excitation depth distribution function for AES

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

Tougaard, S.; Jablonski, A.; Institute of Physical Chemistry, Polish Academy of Sciences, ul. Kasprzaka 44/52, 01-224 Warsaw

2011-09-15

In the common formalism of AES, it is assumed that the in-depth distribution of ionizations is uniform. There are experimental indications that this assumption may not be true for certain primary electron energies and solids. The term ''excitation depth distribution function'' (EXDDF) has been introduced to describe the distribution of ionizations at energies used in AES. This function is conceptually equivalent to the Phi-rho-z function of electron microprobe analysis (EPMA). There are, however, experimental difficulties to determine this function in particular for energies below {approx} 10 keV. In the present paper, we investigate the possibility of determining the shape ofmore » the EXDDF from the background of inelastically scattered electrons on the low energy side of the Auger electron features in the electron energy spectra. The experimentally determined EXDDFs are compared with the EXDDFs determined from Monte Carlo simulations of electron trajectories in solids. It is found that this technique is useful for the experimental determination of the EXDDF function.« less

Monte Carlo Calculation of Thermal Neutron Inelastic Scattering Cross Section Uncertainties by Sampling Perturbed Phonon Spectra

NASA Astrophysics Data System (ADS)

Holmes, Jesse Curtis

Nuclear data libraries provide fundamental reaction information required by nuclear system simulation codes. The inclusion of data covariances in these libraries allows the user to assess uncertainties in system response parameters as a function of uncertainties in the nuclear data. Formats and procedures are currently established for representing covariances for various types of reaction data in ENDF libraries. This covariance data is typically generated utilizing experimental measurements and empirical models, consistent with the method of parent data production. However, ENDF File 7 thermal neutron scattering library data is, by convention, produced theoretically through fundamental scattering physics model calculations. Currently, there is no published covariance data for ENDF File 7 thermal libraries. Furthermore, no accepted methodology exists for quantifying or representing uncertainty information associated with this thermal library data. The quality of thermal neutron inelastic scattering cross section data can be of high importance in reactor analysis and criticality safety applications. These cross sections depend on the material's structure and dynamics. The double-differential scattering law, S(alpha, beta), tabulated in ENDF File 7 libraries contains this information. For crystalline solids, S(alpha, beta) is primarily a function of the material's phonon density of states (DOS). Published ENDF File 7 libraries are commonly produced by calculation and processing codes, such as the LEAPR module of NJOY, which utilize the phonon DOS as the fundamental input for inelastic scattering calculations to directly output an S(alpha, beta) matrix. To determine covariances for the S(alpha, beta) data generated by this process, information about uncertainties in the DOS is required. The phonon DOS may be viewed as a probability density function of atomic vibrational energy states that exist in a material. Probable variation in the shape of this spectrum may be established that depends on uncertainties in the physics models and methodology employed to produce the DOS. Through Monte Carlo sampling of perturbations from the reference phonon spectrum, an S(alpha, beta) covariance matrix may be generated. In this work, density functional theory and lattice dynamics in the harmonic approximation are used to calculate the phonon DOS for hexagonal crystalline graphite. This form of graphite is used as an example material for the purpose of demonstrating procedures for analyzing, calculating and processing thermal neutron inelastic scattering uncertainty information. Several sources of uncertainty in thermal neutron inelastic scattering calculations are examined, including sources which cannot be directly characterized through a description of the phonon DOS uncertainty, and their impacts are evaluated. Covariances for hexagonal crystalline graphite S(alpha, beta) data are quantified by coupling the standard methodology of LEAPR with a Monte Carlo sampling process. The mechanics of efficiently representing and processing this covariance information is also examined. Finally, with appropriate sensitivity information, it is shown that an S(alpha, beta) covariance matrix can be propagated to generate covariance data for integrated cross sections, secondary energy distributions, and coupled energy-angle distributions. This approach enables a complete description of thermal neutron inelastic scattering cross section uncertainties which may be employed to improve the simulation of nuclear systems.

Liquid-phase pulsed laser ablation synthesis of graphitized carbon-encapsulated palladium core-shell nanospheres for catalytic reduction of nitrobenzene to aniline

NASA Astrophysics Data System (ADS)

Kim, Yu-jin; Ma, Rory; Reddy, D. Amaranatha; Kim, Tae Kyu

2015-12-01

Graphitized carbon-encapsulated palladium (Pd) core-shell nanospheres were produced via pulsed laser ablation of a solid Pd foil target submerged in acetonitrile. The microstructural features and optical properties of these nanospheres were characterized via high resolution transmission electron microscopy (HRTEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and UV-visible spectroscopy. Microstructural analysis indicated that the core-shell nanostructures consisted of single-crystalline cubic metallic Pd spheres that serve as the core material, over which graphitized carbon was anchored as a heterogeneous shell. The absorbance spectrum of the synthesized nanostructures exhibited a broad (absorption) band at ∼264 nm; this band corresponded to the typical inter-band transition of a metallic system and resulted possibly from the absorbance of the ionic Pd2+. The catalytic properties of the Pd and Pd@C core-shell nanostructures were investigated using the reduction of nitrobenzene to aniline by an excess amount of NaBH4 in an aqueous solution at room temperature, as a model reaction. Owing to the graphitized carbon-layered structure and the high specific surface area, the resulting Pd@C nanostructures exhibited higher conversion efficiencies than their bare Pd counterparts. In fact, the layered structure provided access to the surface of the Pd nanostructures for the hydrogenation reaction, owing to the synergistic effect between graphitized carbon and the nanostructures. Their unique structure and excellent catalytic performance render Pd@C core-shell nanostructures highly promising candidates for catalysis applications.

Improving the sensitivity of immunoassay based on MBA-embedded Au@SiO2 nanoparticles and surface enhanced Raman spectroscopy

NASA Astrophysics Data System (ADS)

Wei, Chao; Xu, Min-Min; Fang, Cong-Wei; Jin, Qi; Yuan, Ya-Xian; Yao, Jian-Lin

2017-03-01

Traditional "sandwich" structure immunoassay is mainly based on the self-assembly of "antibody on solid substrate-antigen-antibody with nanotags" architectures, and the sensitivity of this strategy is critically depended on the surface enhanced Raman scattering (SERS) activities and stability of nanotags. Therefore, the rational design and fabrication on the SERS nanotags attracts the common interests to the bio-related detecting and imaging. Herein, silica encapsulated Au with mercaptobenzoic acid (MBA) core-shell nanoparticles (Au-MBA@SiO2) are fabricated instead of the traditional naked Au or Ag nanoparticles for the SERS-based immunoassay on human and mouse IgG antigens. The MBA molecules facilitate the formation of continuous pinhole-free silica shell and are also used as SERS labels. The silica shell is employed to protect MBA labels and to isolate Au core from the ambient solution for blocking the aggregation. This shell also played the similar role to BSA in inhibiting the nonspecific bindings, which allowed the procedures for constructing "sandwich" structures to be simplified. All of these merits of the Au-MBA@SiO2 brought the high performance in the related immunoassay. Benefiting from the introduction of silica shell to encapsulate MBA labels, the detection sensitivity was improved by about 1- 2 orders of magnitude by comparing with the traditional approach based on naked Au-MBA nanoparticles. This kind of label-embedded core-shell nanoparticles could be developed as the versatile nanotags for the bioanalysis and bioimaging.

Binder-free ZnO@ZnSnO3 quantum dots core-shell nanorod array anodes for lithium-ion batteries

NASA Astrophysics Data System (ADS)

Tan, Hsiang; Cho, Hsun-Wei; Wu, Jih-Jen

2018-06-01

In this work, ZnSnO3 quantum dots (QDs), instead of commonly used conductive carbon, are grown on the ZnO nanorod (NR) array to construct the binder-free ZnO@ZnSnO3 QDs core-shell NR array electrode on carbon cloth for lithium-ion battery. The ZnO@ZnSnO3 QDs core-shell NR array electrode exhibits excellent lithium storage performance with an improved cycling performance and superior rate capability compared to the ZnO NR array electrode. At a current density of 200 mAg-1, 15.8% capacity loss is acquired in the ZnO@ZnSnO3 QDs core-shell NR array electrode after 110 cycles with capacity retention of 1073 mAhg-1. Significant increases in reversible capacities from 340 to 545 mAhg-1 and from 95 to 390 mAhg-1 at current densities of 1000 and 2000 mAg-1, respectively, are achieved as the ZnO NR arrays are coated with the ZnSnO3 QD shells. The remarkably improved electrochemical performances result from that the configuration of binder-free ZnO@ZnSnO3 QDs core-shell NR array electrode not only facilitates the charge transfer through the solid electrolyte interface and the electronic/ionic conduction boundary as well as lithium ion diffusion but also effectively accommodates the volume change during repeated charge/discharge processes.

Fully nonlocal inelastic scattering computations for spectroscopical transmission electron microscopy methods

NASA Astrophysics Data System (ADS)

Rusz, Ján; Lubk, Axel; Spiegelberg, Jakob; Tyutyunnikov, Dmitry

2017-12-01

The complex interplay of elastic and inelastic scattering amenable to different levels of approximation constitutes the major challenge for the computation and hence interpretation of TEM-based spectroscopical methods. The two major approaches to calculate inelastic scattering cross sections of fast electrons on crystals—Yoshioka-equations-based forward propagation and the reciprocal wave method—are founded in two conceptually differing schemes—a numerical forward integration of each inelastically scattered wave function, yielding the exit density matrix, and a computation of inelastic scattering matrix elements using elastically scattered initial and final states (double channeling). Here, we compare both approaches and show that the latter is computationally competitive to the former by exploiting analytical integration schemes over multiple excited states. Moreover, we show how to include full nonlocality of the inelastic scattering event, neglected in the forward propagation approaches, at no additional computing costs in the reciprocal wave method. Detailed simulations show in some cases significant errors due to the z -locality approximation and hence pitfalls in the interpretation of spectroscopical TEM results.

Prospects for dark matter detection with inelastic transitions of xenon

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

McCabe, Christopher

2016-05-16

Dark matter can scatter and excite a nucleus to a low-lying excitation in a direct detection experiment. This signature is distinct from the canonical elastic scattering signal because the inelastic signal also contains the energy deposited from the subsequent prompt de-excitation of the nucleus. A measurement of the elastic and inelastic signal will allow a single experiment to distinguish between a spin-independent and spin-dependent interaction. For the first time, we characterise the inelastic signal for two-phase xenon detectors in which dark matter inelastically scatters off the {sup 129}Xe or {sup 131}Xe isotope. We do this by implementing a realistic simulationmore » of a typical tonne-scale two-phase xenon detector and by carefully estimating the relevant background signals. With our detector simulation, we explore whether the inelastic signal from the axial-vector interaction is detectable with upcoming tonne-scale detectors. We find that two-phase detectors allow for some discrimination between signal and background so that it is possible to detect dark matter that inelastically scatters off either the {sup 129}Xe or {sup 131}Xe isotope for dark matter particles that are heavier than approximately 100 GeV. If, after two years of data, the XENON1T search for elastic scattering nuclei finds no evidence for dark matter, the possibility of ever detecting an inelastic signal from the axial-vector interaction will be almost entirely excluded.« less

Fate of higher-mass elements and surface functional groups during the pyrolysis of waste pecan shell

USDA-ARS?s Scientific Manuscript database

Thermochemical conversion of agricultural wastes to bioenergy has a potential to play forefront roles within the context of food, energy, and water nexus. Biochar solid product of pyrolysis is a promising tool to manage food crop production and water resources by means of soil amendment. The goal ...

Deformable Hollow Periodic Mesoporous Organosilica Nanocapsules for Significantly Improved Cellular Uptake.

PubMed

Teng, Zhaogang; Wang, Chunyan; Tang, Yuxia; Li, Wei; Bao, Lei; Zhang, Xuehua; Su, Xiaodan; Zhang, Fan; Zhang, Junjie; Wang, Shouju; Zhao, Dongyuan; Lu, Guangming

2018-01-31

Mesoporous solids have been widely used in various biomedical areas such as drug delivery and tumor therapy. Although deformability has been recognized as a prime important characteristic influencing cellular uptake, the synthesis of deformable mesoporous solids is still a great challenge. Herein, deformable thioether-, benzene-, and ethane-bridged hollow periodic mesoporous organosilica (HPMO) nanocapsules have successfully been synthesized for the first time by a preferential etching approach. The prepared HPMO nanocapsules possess uniform diameters (240-310 nm), high surface areas (up to 878 m 2 ·g -1 ), well-defined mesopores (2.6-3.2 nm), and large pore volumes (0.33-0.75 m 3 ·g -1 ). Most importantly, the HPMO nanocapsules simultaneously have large hollow cavities (164-270 nm), thin shell thicknesses (20-38 nm), and abundant organic moiety in the shells, which endow a lower Young's modulus (E Y ) of 3.95 MPa than that of solid PMO nanoparticles (251 MPa). The HPMOs with low E Y are intrinsically flexible and deformable in the solution, which has been well-characterized by liquid cell electron microscopy. More interestingly, it is found that the deformable HPMOs can easily enter into human breast cancer MCF-7 cells via a spherical-to-oval morphology change, resulting in a 26-fold enhancement in cellular uptake (43.1% cells internalized with nanocapsules versus 1.65% cells with solid counterparts). The deformable HPMO nanocapsules were further loaded with anticancer drug doxorubicin (DOX), which shows high killing effects for MCF-7 cells, demonstrating the promise for biomedical applications.

Measurement of the neutron F2 structure function via spectator tagging with CLAS.

PubMed

Baillie, N; Tkachenko, S; Zhang, J; Bosted, P; Bültmann, S; Christy, M E; Fenker, H; Griffioen, K A; Keppel, C E; Kuhn, S E; Melnitchouk, W; Tvaskis, V; Adhikari, K P; Adikaram, D; Aghasyan, M; Amaryan, M J; Anghinolfi, M; Arrington, J; Avakian, H; Baghdasaryan, H; Battaglieri, M; Biselli, A S; Branford, D; Briscoe, W J; Brooks, W K; Burkert, V D; Carman, D S; Celentano, A; Chandavar, S; Charles, G; Cole, P L; Contalbrigo, M; Crede, V; D'Angelo, A; Daniel, A; Dashyan, N; De Vita, R; De Sanctis, E; Deur, A; Dey, B; Djalali, C; Dodge, G; Domingo, J; Doughty, D; Dupre, R; Dutta, D; Ent, R; Egiyan, H; El Alaoui, A; El Fassi, L; Elouadrhiri, L; Eugenio, P; Fedotov, G; Fegan, S; Fradi, A; Gabrielyan, M Y; Gevorgyan, N; Gilfoyle, G P; Giovanetti, K L; Girod, F X; Gohn, W; Golovatch, E; Gothe, R W; Graham, L; Guegan, B; Guidal, M; Guler, N; Guo, L; Hafidi, K; Heddle, D; Hicks, K; Holtrop, M; Hungerford, E; Hyde, C E; Ilieva, Y; Ireland, D G; Ispiryan, M; Isupov, E L; Jawalkar, S S; Jo, H S; Kalantarians, N; Khandaker, M; Khetarpal, P; Kim, A; Kim, W; King, P M; Klein, A; Klein, F J; Klimenko, A; Kubarovsky, V; Kuleshov, S V; Kvaltine, N D; Livingston, K; Lu, H Y; MacGregor, I J D; Mao, Y; Markov, N; McKinnon, B; Mineeva, T; Morrison, B; Moutarde, H; Munevar, E; Nadel-Turonski, P; Ni, A; Niccolai, S; Niculescu, I; Niculescu, G; Osipenko, M; Ostrovidov, A I; Pappalardo, L; Park, K; Park, S; Pasyuk, E; Anefalos Pereira, S; Pisano, S; Pozdniakov, S; Price, J W; Procureur, S; Prok, Y; Protopopescu, D; Raue, B A; Ricco, G; Rimal, D; Ripani, M; Rosner, G; Rossi, P; Sabatié, F; Saini, M S; Salgado, C; Schott, D; Schumacher, R A; Seder, E; Sharabian, Y G; Sober, D I; Sokhan, D; Stepanyan, S; Stepanyan, S S; Stoler, P; Strauch, S; Taiuti, M; Tang, W; Ungaro, M; Vineyard, M F; Voutier, E; Watts, D P; Weinstein, L B; Weygand, D P; Wood, M H; Zana, L; Zhao, B

2012-04-06

We report on the first measurement of the F(2) structure function of the neutron from the semi-inclusive scattering of electrons from deuterium, with low-momentum protons detected in the backward hemisphere. Restricting the momentum of the spectator protons to ≲100 MeV/c and their angles to ≳100° relative to the momentum transfer allows an interpretation of the process in terms of scattering from nearly on-shell neutrons. The F(2)(n) data collected cover the nucleon-resonance and deep-inelastic regions over a wide range of Bjorken x for 0.65

Pervasive nanoscale deformation twinning as a catalyst for efficient energy dissipation in a bioceramic armour

NASA Astrophysics Data System (ADS)

Li, Ling; Ortiz, Christine

2014-05-01

Hierarchical composite materials design in biological exoskeletons achieves penetration resistance through a variety of energy-dissipating mechanisms while simultaneously balancing the need for damage localization to avoid compromising the mechanical integrity of the entire structure and to maintain multi-hit capability. Here, we show that the shell of the bivalve Placuna placenta (~99 wt% calcite), which possesses the unique optical property of ~80% total transmission of visible light, simultaneously achieves penetration resistance and deformation localization via increasing energy dissipation density (0.290 ± 0.072 nJ μm-3) by approximately an order of magnitude relative to single-crystal geological calcite (0.034 ± 0.013 nJ μm-3). P. placenta, which is composed of a layered assembly of elongated diamond-shaped calcite crystals, undergoes pervasive nanoscale deformation twinning (width ~50 nm) surrounding the penetration zone, which catalyses a series of additional inelastic energy dissipating mechanisms such as interfacial and intracrystalline nanocracking, viscoplastic stretching of interfacial organic material, and nanograin formation and reorientation.

Tablet-level origin of toughening in abalone shells and translation to synthetic composite materials.

PubMed

Espinosa, Horacio D; Juster, Allison L; Latourte, Felix J; Loh, Owen Y; Gregoire, David; Zavattieri, Pablo D

2011-02-01

Nacre, the iridescent material in seashells, is one of many natural materials employing hierarchical structures to achieve high strength and toughness from relatively weak constituents. Incorporating these structures into composites is appealing as conventional engineering materials often sacrifice strength to improve toughness. Researchers hypothesize that nacre's toughness originates within its brick-and-mortar-like microstructure. Under loading, bricks slide relative to each other, propagating inelastic deformation over millimeter length scales. This leads to orders-of-magnitude increase in toughness. Here, we use in situ atomic force microscopy fracture experiments and digital image correlation to quantitatively prove that brick morphology (waviness) leads to transverse dilation and subsequent interfacial hardening during sliding, a previously hypothesized dominant toughening mechanism in nacre. By replicating this mechanism in a scaled-up model synthetic material, we find that it indeed leads to major improvements in energy dissipation. Ultimately, lessons from this investigation may be key to realizing the immense potential of widely pursued nanocomposites.

Extended wave-packet model to calculate energy-loss moments of protons in matter

NASA Astrophysics Data System (ADS)

Archubi, C. D.; Arista, N. R.

2017-12-01

In this work we introduce modifications to the wave-packet method proposed by Kaneko to calculate the energy-loss moments of a projectile traversing a target which is represented in terms of Gaussian functions for the momentum distributions of electrons in the atomic shells. These modifications are introduced using the Levine and Louie technique to take into account the energy gaps corresponding to the different atomic levels of the target. We use the extended wave-packet model to evaluate the stopping power, the energy straggling, the inverse mean free path, and the ionization cross sections for protons in several targets, obtaining good agreements for all these quantities on an extensive energy range that covers low-, intermediate-, and high-energy regions. The extended wave-packet model proposed here provides a method to calculate in a very straightforward way all the significant terms of the inelastic interaction of light ions with any element of the periodic table.

Hierarchical flexural strength of enamel: transition from brittle to damage-tolerant behaviour

PubMed Central

Bechtle, Sabine; Özcoban, Hüseyin; Lilleodden, Erica T.; Huber, Norbert; Schreyer, Andreas; Swain, Michael V.; Schneider, Gerold A.

2012-01-01

Hard, biological materials are generally hierarchically structured from the nano- to the macro-scale in a somewhat self-similar manner consisting of mineral units surrounded by a soft protein shell. Considerable efforts are underway to mimic such materials because of their structurally optimized mechanical functionality of being hard and stiff as well as damage-tolerant. However, it is unclear how different hierarchical levels interact to achieve this performance. In this study, we consider dental enamel as a representative, biological hierarchical structure and determine its flexural strength and elastic modulus at three levels of hierarchy using focused ion beam (FIB) prepared cantilevers of micrometre size. The results are compared and analysed using a theoretical model proposed by Jäger and Fratzl and developed by Gao and co-workers. Both properties decrease with increasing hierarchical dimension along with a switch in mechanical behaviour from linear-elastic to elastic-inelastic. We found Gao's model matched the results very well. PMID:22031729

Motion of a Spherical Domain Wall and the Large-Scale Structure Formation

NASA Astrophysics Data System (ADS)

Yamamoto, K.; Tomita, K.

1991-11-01

The evolution of a wall-like structure in the universe is investigated by assuming a simplified model of a domain wall. The domain wall is approximated as a thin spherical shell with domain wall-like matter, which is assumed to interact with dust-like dark matter in an entirely inelastic manner, and its motion in an expanding universe is numerically studied in the general-relativistic treatment. We evaluate the lifetime of the wall, which is defined as the characteristic time for the wall to shrink due to its own tension. It is necessary that this time is not smaller than the cosmic age, in order that the walls avoid the collapse to the present time and play an important role in the structure formation of the universe. It is shown that, in spite of the above interaction, the strong restriction is imposed on the surface density of the domain walls and the allowed values are too small to have any influences on the background model.

Routes to heavy-fermion superconductivity

NASA Astrophysics Data System (ADS)

Steglich, F.; Stockert, O.; Wirth, S.; Geibel, C.; Yuan, H. Q.; Kirchner, S.; Si, Q.

2013-07-01

Superconductivity in lanthanide- and actinide-based heavy-fermion (HF) metals can have different microscopic origins. Among others, Cooper pair formation based on fluctuations of the valence, of the quadrupole moment or of the spin of the localized 4f/5f shell have been proposed. Spin-fluctuation mediated superconductivity in CeCu2Si2 was demonstrated by inelastic neutron scattering to exist in the vicinity of a spin-density-wave (SDW) quantum critical point (QCP). The isostructural HF compound YbRh2Si2 which is prototypical for a Kondo-breakdown QCP has so far not shown any sign of superconductivity down to T ≈ 10 mK. In contrast, results of de-Haas-van-Alphen experiments by Shishido et al. (J. Phys. Soc. Jpn. 74, 1103 (2005)) suggest superconductivity in CeRhIn5 close to an antiferromagnetic QCP beyond the SDW type, at which the Kondo effect breaks down. For the related compound CeCoIn5 however, a field-induced QCP of SDW type is extrapolated to exist inside the superconducting phase.

Ultrathin-shell boron nitride hollow spheres as sorbent for dispersive solid-phase extraction of polychlorinated biphenyls from environmental water samples.

PubMed

Fu, Meizhen; Xing, Hanzhu; Chen, Xiangfeng; Chen, Fan; Wu, Chi-Man Lawrence; Zhao, Rusong; Cheng, Chuange

2014-11-21

Boron nitride hollow spheres with ultrathin-shells were synthesized and used as sorbents for dispersive solid-phase extraction of aromatic pollutants at trace levels from environmental water samples. Polychlorinated biphenyls (PCBs) were selected as target compounds. Sample quantification and detection were performed by gas chromatography-tandem mass spectrometry. Extraction parameters influencing the extraction efficiency were optimized through response surface methodology using the Box-Behnken design. The proposed method achieved good linearity within the concentration range of 0.15-250 ng L(-1) PCBs, low limits of detection (0.04-0.09 ng L(-1), S/N=3:1), good repeatability of the extractions (relative standard deviation, <12%, n=6), and satisfactory recoveries between 84.9% and 101.0% under optimal conditions. Real environmental samples collected from rivers, local lakes, rain and spring waters were analyzed using the developed method. Results demonstrated that the hexagonal boron nitride-based material has significant potential as a sorbent for organic pollutant extraction from environmental water samples. Copyright © 2014 Elsevier B.V. All rights reserved.

Water-vapor-enhanced growth of Ge GeOx core shell nanowires and Si1-xGexOy nanowires

NASA Astrophysics Data System (ADS)

Hsu, Ting-Jui; Ko, Chih-Yuan; Lin, Wen-Tai

2007-09-01

The effects of moist Ar on the growth of Ge-GeOx core-shell nanowires (Ge-GeOx NWs) and Si1-xGexOy nanowires (SiGeONWs) on Si substrates without adding a metal catalyst via the carbothermal reduction of GeO2 powders at 1100 °C were studied. No significant nanowires were grown in dry Ar at a flow rate of 100-300 sccm until a bit of water in the range of 0.5-2 ml was loaded into the furnace. More water suppressed the growth of nanowires because of the exhaustion of more graphite powder. The growth of Ge-GeOx NWs and SiGeONWs follows the vapor-solid and vapor-liquid-solid processes, respectively. The present study showed that the water vapor serves as an oxidizer as well as a reducer at 1100 °C in enhancing the growth of SiGeONWs and Ge-GeOx NWs, respectively. The growth mechanisms of Ge-GeOx NWs and SiGeONWs are also discussed.

Ultrasonic-assisted extraction combined with sample preparation and analysis using LC-ESI-MS/MS allowed the identification of 24 new phenolic compounds in pecan nut shell [Carya illinoinensis (Wangenh) C. Koch] extracts.

PubMed

Hilbig, Josiane; Alves, Victor Rodrigues; Müller, Carmen Maria Olivera; Micke, Gustavo Amadeu; Vitali, Luciano; Pedrosa, Rozangela Curi; Block, Jane Mara

2018-04-01

Ultrasonic-assisted extraction combined with statistical tools (factorial design, response surface methodology and kinetics) were used to evaluate the effects of the experimental conditions of temperature, solid-to-solvent ratio, ethanol concentration and time for the extraction of the total phenolic content from pecan nut shells. The optimal conditions for the aqueous and hydroalcoholic extract (with 20% v/v of ethanol) were 60 and 80 °C; solid to solvent ratio of 30 mL·g -1 (for both) and extraction time of 35 and 25 min, respectively. Using these optimize extraction conditions, 426 and 582 mg GAE·g -1 of phenolic compounds, from the aqueous and hydroalcoholic phases respectively, were obtained. In addition, the analysis of the phenolic compounds using the LC-ESI-MS/MS system allowed the identification of 29 phenolic compounds, 24 of which had not been reported in literature for this raw material yet. Copyright © 2018. Published by Elsevier Ltd.

Analytical study of the acoustic field in a spherical resonator for single bubble sonoluminescence.

PubMed

Dellavale, Damián; Urteaga, Raúl; Bonetto, Fabián J

2010-01-01

The acoustic field in the liquid within a spherical solid shell is calculated. The proposed model takes into account Stoke's wave equation in the viscous fluid, the membrane theory to describe the solid shell motion and the energy loss through the external couplings of the system. A point source at the resonator center is included to reproduce the acoustic emission of a sonoluminescence bubble. Particular calculations of the resulting acoustic field are performed for viscous liquids of interest in single bubble sonoluminescence. The model reveals that in case of radially symmetric modes of low frequency, the quality factor is mainly determined by the acoustic energy flowing through the mechanical coupling of the resonator. Alternatively, for high frequency modes the quality factor is mainly determined by the viscous dissipation in the liquid. Furthermore, the interaction between the bubble acoustic emission and the resonator modes is analyzed. It was found that the bubble acoustic emission produces local maxima in the resonator response. The calculated amplitudes and relative phases of the harmonics constituting the bubble acoustic environment can be used to improve multi-frequency driving in sonoluminescence.

Geological evidence for solid-state convection in Europa's ice shell.

PubMed

Pappalardo, R T; Head, J W; Greeley, R; Sullivan, R J; Pilcher, C; Schubert, G; Moore, W B; Carr, M H; Moore, J M; Belton, M J; Goldsby, D L

1998-01-22

The ice-rich surface of the jovian satellite Europa is sparsely cratered, suggesting that this moon might be geologically active today. Moreover, models of the satellite's interior indicate that tidal interactions with Jupiter might produce enough heat to maintain a subsurface liquid water layer. But the mechanisms of interior heat loss and resurfacing are currently unclear, as is the question of whether Europa has (or had at one time) a liquid water ocean. Here we report on the morphology and geological interpretation of distinct surface features-pits, domes and spots-discovered in high-resolution images of Europa obtained by the Galileo spacecraft. The features are interpreted as the surface manifestation of diapirs, relatively warm localized ice masses that have risen buoyantly through the subsurface. We find that the formation of the features can be explained by thermally induced solid-state convection within an ice shell, possibly overlying a liquid water layer. Our results are consistent with the possibility that Europa has a liquid water ocean beneath a surface layer of ice, but further tests and observations are needed to demonstrate this conclusively.

Geological evidence for solid-state convection in Europa's ice shell

USGS Publications Warehouse

Pappalardo, R.T.; Head, J.W.; Greeley, R.; Sullivan, R.J.; Pilcher, C.; Schubert, G.; Moore, W.B.; Carr, M.H.; Moore, Johnnie N.; Belton, M.J.S.; Goldsby, D.L.

1998-01-01

The ice-rich surface of the jovian satellite Europa is sparsely cratered, suggesting that this moon might be geologically active today. Moreover, models of the satellite's interior indicate that tidal interactions with Jupiter might produce enough heat to maintain a subsurface liquid water layer. But the mechanisms of interior heat loss and resurfacing are currently unclear, as is the question of whether Europa has (or had at one time) a liquid water ocean. Here we report on the morphology and geological interpretation of distinct surface features-pits, domes and spots-discovered in high-resolution images of Europa obtained by the Galileo spacecraft. The features are interpreted as the surface manifestation of diapirs, relatively warm localized ice masses that have risen buoyantly through the subsurface. We find that the formation of the features can be explained by thermally induced solid-state convection within an ice shell, possibly overlying a liquid water layer. Our results are consistent with the possibility that Europa has a liquid water ocean beneath a surface layer of ice, but further tests and observations are needed to demonstrate this conclusively.

Combining Nitrilotriacetic Acid and Permeable Barriers for Enhanced Phytoextraction of Heavy Metals from Municipal Solid Waste Compost by and Reduced Metal Leaching.

PubMed

Zhao, Shulan; Jia, Lina; Duo, Lian

2016-05-01

Phytoextraction has the potential to remove heavy metals from contaminated soil, and chelants can be used to improve the capabilities of phytoextraction. However, environmentally persistent chelants can cause metal leaching and groundwater pollution. A column experiment was conducted to evaluate the viability of biodegradable nitrilotriacetic acid (NTA) to increase the uptake of heavy metals (Cd, Cr, Ni, Pb, Cu, and Zn) by L. in municipal solid waste (MSW) compost and to evaluate the effect of two permeable barrier materials, bone meal and crab shell, on metal leaching. The application of NTA significantly increased the concentrations and uptake of heavy metals in . The enhancement was more pronounced at higher dosages of NTA. In the 15 mmol kg NTA treatment using a crab shell barrier, the Cr and Ni concentrations in the plant shoots increased by approximately 8- and 10-fold, respectively, relative to the control. However, the addition of NTA also caused significant heavy metal leaching from the MSW compost. Bone meal and crab shell barriers positioned between the compost and the subsoil were effective in preventing metal leaching down through the soil profile by the retention of metals in the barrier. The application of a biodegradable chelant and the use of permeable barriers is a viable form of enhanced phytoextraction to increase the removal of metals and to reduce possible leaching. Copyright © by the American Society of Agronomy, Crop Science Society of America, and Soil Science Society of America, Inc.

Magnetic solid-phase extraction of phthalate esters (PAEs) in apparel textile by core-shell structured Fe3O4@silica@triblock-copolymer magnetic microspheres.

PubMed

Xu, Mei; Liu, Minhua; Sun, Meirong; Chen, Kun; Cao, Xiujun; Hu, Yaoming

2016-04-01

In this paper, novel core-shell structured magnetic Fe3O4/silica nanocomposites with triblock-copolymer grafted on their surface (Fe3O4@SiO2@MDN) were successfully fabricated by combining a sol-gel method with a seeded aqueous-phase radical copolymerization approach. Owing to the excellent characteristics of the strong magnetic responsivity, outstanding hydrophilicity and abundant π-electron system, the obtained core-shell structured microspheres showed great potential as a magnetic solid phase extraction (MSPE) adsorbent. Several kinds of phthalate esters (PAEs) were selected as model analytes to systematically evaluate the applicability of adsorbents for extraction followed by gas chromatography-mass spectrometry (GC-MS) analyses. Various parameters, including adsorbents amounts, adsorption time, species of eluent, and desorption time were optimized. Under the optimized conditions, Validation experiments such as recovery, reproducibility, and limit of detection were carried on and showed satisfactory results. The analysis method showed excellent linearity with a wide range of 0.2-10mg/kg (R(2)>0.9974) and low limits of detection (LOD) of 0.02-0.09 mg/kg (S/N=3). Ultimately, the novel magnetic adsorbents were successfully employed to detect the PAEs in apparel textile samples. And the results indicated that this novel approach brought forward in the present work offered an attractive alternative for rapid, efficient and sensitive MSPE for PAEs compounds. Copyright © 2015 Elsevier B.V. All rights reserved.

Superparamagnetic Fe3 O4 @SiO2 core-shell composite nanoparticles for the mixed hemimicelle solid-phase extraction of benzodiazepines from hair and wastewater samples before high-performance liquid chromatography analysis.

PubMed

Esmaeili-Shahri, Effat; Es'haghi, Zarrin

2015-12-01

Magnetic Fe3 O4 /SiO2 composite core-shell nanoparticles were synthesized, characterized, and applied for the surfactant-assisted solid-phase extraction of five benzodiazepines diazepam, oxazepam, clonazepam, alprazolam, and midazolam, from human hair and wastewater samples before high-performance liquid chromatography with diode array detection. The nanocomposite was synthesized in two steps. First, Fe3 O4 nanoparticles were prepared by the chemical co-precipitation method of Fe(III) and Fe(II) as reaction substrates and NH3 /H2 O as precipitant. Second, the surface of Fe3 O4 nanoparticles was modified with shell silica by Stober method using tetraethylorthosilicate. The Fe3 O4 /SiO2 composite were characterized by X-ray diffraction, scanning electron microscopy, Fourier transform infrared spectroscopy, and vibrating sample magnetometry. To enhance their adsorptive tendency toward benzodiazepines, cetyltrimethylammonium bromide was added, which was adsorbed on the surface of the Fe3 O4 /SiO2 nanoparticles and formed mixed hemimicelles. The main parameters affecting the efficiency of the method were thoroughly investigated. Under optimum conditions, the calibration curves were linear in the range of 0.10-15 μgmL(-1) . The relative standard deviations ranged from 2.73 to 7.07%. The correlation coefficients varied from 0.9930 to 0.9996. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Lattice vibrations boost demagnetization entropy in a shape-memory alloy

NASA Astrophysics Data System (ADS)

Stonaha, P. J.; Manley, M. E.; Bruno, N. M.; Karaman, I.; Arroyave, R.; Singh, N.; Abernathy, D. L.; Chi, S.

2015-10-01

Magnetocaloric (MC) materials present an avenue for chemical-free, solid-state refrigeration through cooling via adiabatic demagnetization. We have used inelastic neutron scattering to measure the lattice dynamics in the MC material N i45C o5M n36.6I n13.4 . Upon heating across the Curie temperature (TC) , the material exhibits an anomalous increase in phonon entropy of 0.22 ±0.04 kB/atom , which is ten times larger than expected from conventional thermal expansion. This transition is accompanied by an abrupt softening of the transverse optic phonon. We present first-principles calculations showing a strong coupling between lattice distortions and magnetic excitations.

Simplified computational methods for elastic and elastic-plastic fracture problems

NASA Technical Reports Server (NTRS)

Atluri, Satya N.

1992-01-01

An overview is given of some of the recent (1984-1991) developments in computational/analytical methods in the mechanics of fractures. Topics covered include analytical solutions for elliptical or circular cracks embedded in isotropic or transversely isotropic solids, with crack faces being subjected to arbitrary tractions; finite element or boundary element alternating methods for two or three dimensional crack problems; a 'direct stiffness' method for stiffened panels with flexible fasteners and with multiple cracks; multiple site damage near a row of fastener holes; an analysis of cracks with bonded repair patches; methods for the generation of weight functions for two and three dimensional crack problems; and domain-integral methods for elastic-plastic or inelastic crack mechanics.

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

Bogdanov, Nikolay A.; Bisogni, Valentina; Kraus, Roberto

In existing theoretical approaches to core-level excitations of transition-metal ions in solids relaxation and polarization effects due to the inner core hole are often ignored or described phenomenologically. Here, we set up an ab initio computational scheme that explicitly accounts for such physics in the calculation of x-ray absorption and resonant inelastic x-ray scattering spectra. Good agreement is found with experimental transition-metal L-edge data for the strongly correlated d 9 cuprate Li 2CuO 2, for which we also determine the absolute scattering intensities. The newly developed methodology opens the way for the investigation of even more complex d n electronicmore » structures of group VI B to VIII B correlated oxide compounds.« less

Eigendeformation-Based Homogenization of Concrete

DTIC Science & Technology

2009-03-26

The inelastic behavior of concrete is modeled using three types of eigenstrains . The eigenstrains in the mortar phase include pore compaction (or...lock-in), rate-dependent damage and plasticity eigenstrains , whereas the inelastic behavior of aggregates is assumed to be governed by plasticity...3  3. Microscale Inelastic Properties of Concrete: Eigenstrain

Effect of Mesoscale and Multiscale Modeling on the Performance of Kevlar Woven Fabric Subjected to Ballistic Impact: A Numerical Study

NASA Astrophysics Data System (ADS)

Jia, Xin; Huang, Zhengxiang; Zu, Xudong; Gu, Xiaohui; Xiao, Qiangqiang

2013-12-01

In this study, an optimal finite element model of Kevlar woven fabric that is more computational efficient compared with existing models was developed to simulate ballistic impact onto fabric. Kevlar woven fabric was modeled to yarn level architecture by using the hybrid elements analysis (HEA), which uses solid elements in modeling the yarns at the impact region and uses shell elements in modeling the yarns away from the impact region. Three HEA configurations were constructed, in which the solid element region was set as about one, two, and three times that of the projectile's diameter with impact velocities of 30 m/s (non-perforation case) and 200 m/s (perforation case) to determine the optimal ratio between the solid element region and the shell element region. To further reduce computational time and to maintain the necessary accuracy, three multiscale models were presented also. These multiscale models combine the local region with the yarn level architecture by using the HEA approach and the global region with homogenous level architecture. The effect of the varying ratios of the local and global area on the ballistic performance of fabric was discussed. The deformation and damage mechanisms of fabric were analyzed and compared among numerical models. Simulation results indicate that the multiscale model based on HEA accurately reproduces the baseline results and obviously decreases computational time.

Positive Ion Induced Solidification of He4

NASA Astrophysics Data System (ADS)

Moroshkin, P.; Lebedev, V.; Weis, A.

2009-03-01

We have observed bulk solidification of He4 induced by nucleation on positive alkali ions in pressurized superfluid helium. The ions are extracted into the liquid from alkali-doped solid He by a static electric field. The experiments prove the existence of charged particles in a solid structure composed of doped He that was recently shown to coexist with superfluid helium below the He solidification pressure. This supports our earlier suggestion that the Coulomb interaction of positive ions surrounded by a solid He shell (snowballs) and electrons trapped in spherical cavities (electron bubbles), together with surface tension, is responsible for the stability of that structure against melting. We have determined the density of charges in the sample by two independent methods.

Effective Infiltration of Gel Polymer Electrolyte into Silicon-Coated Vertically Aligned Carbon Nanofibers as Anodes for Solid-State Lithium-Ion Batteries.

PubMed

Pandey, Gaind P; Klankowski, Steven A; Li, Yonghui; Sun, Xiuzhi Susan; Wu, Judy; Rojeski, Ronald A; Li, Jun

2015-09-23

This study demonstrates the full infiltration of gel polymer electrolyte into silicon-coated vertically aligned carbon nanofibers (Si-VACNFs), a high-capacity 3D nanostructured anode, and the electrochemical characterization of its properties as an effective electrolyte/separator for future all-solid-state lithium-ion batteries. Two fabrication methods have been employed to form a stable interface between the gel polymer electrolyte and the Si-VACNF anode. In the first method, the drop-casted gel polymer electrolyte is able to fully infiltrate into the open space between the vertically aligned core-shell nanofibers and encapsulate/stabilize each individual nanofiber in the polymer matrix. The 3D nanostructured Si-VACNF anode shows a very high capacity of 3450 mAh g(-1) at C/10.5 (or 0.36 A g(-1)) rate and 1732 mAh g(-1) at 1C (or 3.8 A g(-1)) rate. In the second method, a preformed gel electrolyte film is sandwiched between an Si-VACNF electrode and a Li foil to form a half-cell. Most of the vertical core-shell nanofibers of the Si-VACNF anode are able to penetrate into the gel polymer film while retaining their structural integrity. The slightly lower capacity of 2800 mAh g(-1) at C/11 rate and ∼1070 mAh g(-1) at C/1.5 (or 2.6 A g(-1)) rate have been obtained, with almost no capacity fade for up to 100 cycles. Electrochemical impedance spectroscopy does not show noticeable changes after 110 cycles, further revealing the stable interface between the gel polymer electrolyte and the Si-VACNFs anode. These results show that the infiltrated flexible gel polymer electrolyte can effectively accommodate the stress/strain of the Si shell due to the large volume expansion/contraction during the charge-discharge processes, which is particularly useful for developing future flexible solid-state lithium-ion batteries incorporating Si-anodes.

Time-resolved x-ray spectra from laser-generated high-density plasmas

NASA Astrophysics Data System (ADS)

Andiel, U.; Eidmann, Klaus; Witte, Klaus-Juergen

2001-04-01

We focused frequency doubled ultra short laser pulses on solid C, F, Na and Al targets, K-shell emission was systematically investigated by time resolved spectroscopy using a sub-ps streak camera. A large number of laser shots can be accumulated when triggering the camera with an Auston switch system at very high temporal precision. The system provides an outstanding time resolution of 1.7ps accumulating thousands of laser shots. The time duration of the He-(alpha) K-shell resonance lines was observed in the range of (2-4)ps and shows a decrease with the atomic number. The experimental results are well reproduced by hydro code simulations post processed with an atomic kinetics code.

Tailored Core Shell Cathode Powders for Solid Oxide Fuel Cells

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

Swartz, Scott

2015-03-23

In this Phase I SBIR project, a “core-shell” composite cathode approach was evaluated for improving SOFC performance and reducing degradation of lanthanum strontium cobalt ferrite (LSCF) cathode materials, following previous successful demonstrations of infiltration approaches for achieving the same goals. The intent was to establish core-shell cathode powders that enabled high performance to be obtained with “drop-in” process capability for SOFC manufacturing (i.e., rather than adding an infiltration step to the SOFC manufacturing process). Milling, precipitation and hetero-coagulation methods were evaluated for making core-shell composite cathode powders comprised of coarse LSCF “core” particles and nanoscale “shell” particles of lanthanum strontiummore » manganite (LSM) or praseodymium strontium manganite (PSM). Precipitation and hetero-coagulation methods were successful for obtaining the targeted core-shell morphology, although perfect coverage of the LSCF core particles by the LSM and PSM particles was not obtained. Electrochemical characterization of core-shell cathode powders and conventional (baseline) cathode powders was performed via electrochemical impedance spectroscopy (EIS) half-cell measurements and single-cell SOFC testing. Reliable EIS testing methods were established, which enabled comparative area-specific resistance measurements to be obtained. A single-cell SOFC testing approach also was established that enabled cathode resistance to be separated from overall cell resistance, and for cathode degradation to be separated from overall cell degradation. The results of these EIS and SOFC tests conclusively determined that the core-shell cathode powders resulted in significant lowering of performance, compared to the baseline cathodes. Based on the results of this project, it was concluded that the core-shell cathode approach did not warrant further investigation.« less

Dual-Shell Fluorescent Nanoparticles for Self-Monitoring of pH-Responsive Molecule-Releasing in a Visualized Way.

PubMed

Yang, Lingang; Cui, Chuanfeng; Wang, Lingzhi; Lei, Juying; Zhang, Jinlong

2016-07-27

The rational design and controlled synthesis of a smart device with flexibly tailored response ability is all along desirable for bioapplication but long remains a considerable challenge. Here, a pH-stimulated valve system with a visualized "on-off" mode is constructed through a dual-shell fluorescence resonance energy transfer (FRET) strategy. The dual shells refer to carbon dots and fluorescent molecules embedded polymethacrylic acid (F-PMAA) layers successively coating around a SiO2 core (ca. 120 nm), which play the roles as energy donor and acceptor, respectively. The total thickness of the dual-shell in the solid composite is ca. 10 nm. The priorities of this dual-shell FRET nanovalve stem from three facts: (1) the thin shell allows the formation of efficient FRET system without chemical bonding between energy donor and acceptor; (2) the maximum emission wavelength of CD layer is tunable in the range of 400-600 nm, thus providing a flexible energy donor for a wide variety of energy acceptors; (3) the outer F-PMAA shell with a pH-sensitive swelling-shrinking (on-off) behavior functions as a valve for regulating the FRET process. As such, a sensitive and stable pH ratiometric sensor with a working pH range of 3-6 has been built by simply encapsulating pH-responsive fluorescein isothiocyanate (FITC) into PMAA; a pH-dependent swelling-shrinking shuttle carrier with a finely controllable molecule-release behavior has been further fabricated using rhodamine B isothiocyanate (RBITC) as the energy donor and model guest molecule. Significantly, the controlled releasing process is visually self-monitorable.

Core-Shell Fe1- xS@Na2.9PS3.95Se0.05 Nanorods for Room Temperature All-Solid-State Sodium Batteries with High Energy Density.

PubMed

Wan, Hongli; Mwizerwa, Jean Pierre; Qi, Xingguo; Liu, Xin; Xu, Xiaoxiong; Li, Hong; Hu, Yong-Sheng; Yao, Xiayin

2018-03-27

High ionic conductivity electrolyte and intimate interfacial contact are crucial factors to realize high-performance all-solid-state sodium batteries. Na 2.9 PS 3.95 Se 0.05 electrolyte with reduced particle size of 500 nm is first synthesized by a simple liquid-phase method and exhibits a high ionic conductivity of 1.21 × 10 -4 S cm -1 , which is comparable with that synthesized with a solid-state reaction. Meanwhile, a general interfacial architecture, that is, Na 2.9 PS 3.95 Se 0.05 electrolyte uniformly anchored on Fe 1- x S nanorods, is designed and successfully prepared by an in situ liquid-phase coating approach, forming core-shell structured Fe 1- x S@Na 2.9 PS 3.95 Se 0.05 nanorods and thus realizing an intimate contact interface. The Fe 1- x S@Na 2.9 PS 3.95 Se 0.05 /Na 2.9 PS 3.95 Se 0.05 /Na all-solid-state sodium battery demonstrates high specific capacity and excellent rate capability at room temperature, showing reversible discharge capacities of 899.2, 795.5, 655.1, 437.9, and 300.4 mAh g -1 at current densities of 20, 50, 100, 150, and 200 mA g -1 , respectively. The obtained all-solid-state sodium batteries show very high energy and power densities up to 910.6 Wh kg -1 and 201.6 W kg -1 based on the mass of Fe 1- x S at current densities of 20 and 200 mA g -1 , respectively. Moreover, the reaction mechanism of Fe 1- x S is confirmed by means of ex situ X-ray diffraction techniques, showing that partially reversible reaction occurs in the Fe 1- x S electrode after the second cycle, which gives the obtained all-solid-state sodium battery an exceptional cycling stability, exhibiting a high capacity of 494.3 mAh g -1 after cycling at 100 mA g -1 for 100 cycles. This contribution provides a strategy for designing high-performance room temperature all-solid-state sodium battery.

Thermally Stable TiO2 - and SiO2 -Shell-Isolated Au Nanoparticles for In Situ Plasmon-Enhanced Raman Spectroscopy of Hydrogenation Catalysts.

PubMed

Hartman, Thomas; Weckhuysen, Bert M

2018-03-12

Raman spectroscopy is known as a powerful technique for solid catalyst characterization as it provides vibrational fingerprints of (metal) oxides, reactants, and products. It can even become a strong surface-sensitive technique by implementing shell-isolated surface-enhanced Raman spectroscopy (SHINERS). Au@TiO 2 and Au@SiO 2 shell-isolated nanoparticles (SHINs) of various sizes were therefore prepared for the purpose of studying heterogeneous catalysis and the effect of metal oxide coating. Both SiO 2 - and TiO 2 -SHINs are effective SHINERS substrates and thermally stable up to 400 °C. Nano-sized Ru and Rh hydrogenation catalysts were assembled over the SHINs by wet impregnation of aqueous RuCl 3 and RhCl 3 . The substrates were implemented to study CO adsorption and hydrogenation under in situ conditions at various temperatures to illustrate the differences between catalysts and shell materials with SHINERS. This work demonstrates the potential of SHINS for in situ characterization studies in a wide range of catalytic reactions. © 2018 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

Bulk solitary waves in elastic solids

NASA Astrophysics Data System (ADS)

Samsonov, A. M.; Dreiden, G. V.; Semenova, I. V.; Shvartz, A. G.

2015-10-01

A short and object oriented conspectus of bulk solitary wave theory, numerical simulations and real experiments in condensed matter is given. Upon a brief description of the soliton history and development we focus on bulk solitary waves of strain, also known as waves of density and, sometimes, as elastic and/or acoustic solitons. We consider the problem of nonlinear bulk wave generation and detection in basic structural elements, rods, plates and shells, that are exhaustively studied and widely used in physics and engineering. However, it is mostly valid for linear elasticity, whereas dynamic nonlinear theory of these elements is still far from being completed. In order to show how the nonlinear waves can be used in various applications, we studied the solitary elastic wave propagation along lengthy wave guides, and remarkably small attenuation of elastic solitons was proven in physical experiments. Both theory and generation for strain soliton in a shell, however, remained unsolved problems until recently, and we consider in more details the nonlinear bulk wave propagation in a shell. We studied an axially symmetric deformation of an infinite nonlinearly elastic cylindrical shell without torsion. The problem for bulk longitudinal waves is shown to be reducible to the one equation, if a relation between transversal displacement and the longitudinal strain is found. It is found that both the 1+1D and even the 1+2D problems for long travelling waves in nonlinear solids can be reduced to the Weierstrass equation for elliptic functions, which provide the solitary wave solutions as appropriate limits. We show that the accuracy in the boundary conditions on free lateral surfaces is of crucial importance for solution, derive the only equation for longitudinal nonlinear strain wave and show, that the equation has, amongst others, a bidirectional solitary wave solution, which lead us to successful physical experiments. We observed first the compression solitary wave in the duct-like polymer shell and proved, that there is no tensile area behind the wave, the bulk soliton propagates on a distance many times longer than its wave length, while both its shape and amplitude remain unchanged. We demonstrated recently how the strain solitons can be used for non-destructive testing (NDT) of laminated composites, used nowadays for various applications, e.g., in microelectronics, aerospace and automotive industries, and bulk strain solitons are among prospective instruments for NDT. Being aimed to propose the bulk strain solitons as an instrument for NDT in solids, we studied numerically the evolution of them in various wave guides with local defects, and shown that the strain soliton undergoes changes in amplitude, phase shift and the shape, that are distinctive and can be estimated. To sum up, now we are able to propose a new NDT technique, based on bulk strain soliton propagation in structural elements.

Fabrication of Hierarchical Layer-by-Layer Assembled Diamond-based Core-Shell Nanocomposites as Highly Efficient Dye Absorbents for Wastewater Treatment

NASA Astrophysics Data System (ADS)

Zhao, Xinna; Ma, Kai; Jiao, Tifeng; Xing, Ruirui; Ma, Xilong; Hu, Jie; Huang, Hao; Zhang, Lexin; Yan, Xuehai

2017-03-01

The effective chemical modification and self-assembly of diamond-based hierarchical composite materials are of key importance for a broad range of diamond applications. Herein, we report the preparation of novel core-shell diamond-based nanocomposites for dye adsorption toward wastewater treatment through a layer-by-layer (LbL) assembled strategy. The synthesis of the reported composites began with the carboxyl functionalization of microdiamond by the chemical modification of diamond@graphene oxide composite through the oxidation of diamond@graphite. The carboxyl-terminated microdiamond was then alternatively immersed in the aqueous solution of amine-containing polyethylenimine and carboxyl-containing poly acrylic acid, which led to the formation of adsorption layer on diamond surface. Alternating (self-limiting) immersions in the solutions of the amine-containing and carboxyl-containing polymers were continued until the desired number of shell layers were formed around the microdiamond. The obtained core-shell nanocomposites were successfully synthesized and characterized by morphological and spectral techniques, demonstrating higher surface areas and mesoporous structures for good dye adsorption capacities than nonporous solid diamond particles. The LbL-assembled core-shell nanocomposites thus obtained demonstrated great adsorption capacity by using two model dyes as pollutants for wastewater treatment. Therefore, the present work on LbL-assembled diamond-based composites provides new alternatives for developing diamond hybrids as well as nanomaterials towards wastewater treatment applications.

Fiber-based all-solid-state flexible supercapacitors for self-powered systems.

PubMed

Xiao, Xu; Li, Tianqi; Yang, Peihua; Gao, Yuan; Jin, Huanyu; Ni, Weijian; Zhan, Wenhui; Zhang, Xianghui; Cao, Yuanzhi; Zhong, Junwen; Gong, Li; Yen, Wen-Chun; Mai, Wenjie; Chen, Jian; Huo, Kaifu; Chueh, Yu-Lun; Wang, Zhong Lin; Zhou, Jun

2012-10-23

All-solid-state flexible supercapacitors based on a carbon/MnO(2) (C/M) core-shell fiber structure were fabricated with high electrochemical performance such as high rate capability with a scan rate up to 20 V s(-1), high volume capacitance of 2.5 F cm(-3), and an energy density of 2.2 × 10(-4) Wh cm(-3). By integrating with a triboelectric generator, supercapacitors could be charged and power commercial electronic devices, such as a liquid crystal display or a light-emitting-diode, demonstrating feasibility as an efficient storage component and self-powered micro/nanosystems.

Martensitic transformations in Ag-Au bimetallic core-shell nanoalloys

NASA Astrophysics Data System (ADS)

Chen, Fuyi; Johnston, Roy L.

2008-01-01

Combining the Gupta potential and bond order analysis in a molecular dynamics simulation, a martensitic transformation is observed in the 147-atom AucoreAgshell nanostructure at 328K. The response time for this transformation is about 7ps at 350K. In pure gold clusters, it was previously thought that a similar solid-to-solid transformation is a prelude to melting transitions. In the present case, atomic pathway snapshots show that the heating energy is used to overcome the energy barrier for initiating the spontaneous process. The subsequent twist-deformation propagation and termination are clearly observed.

Inelastic effects in molecular transport junctions: The probe technique at high bias

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

Kilgour, Michael; Segal, Dvira, E-mail: dsegal@chem.utoronto.ca

2016-03-28

We extend the Landauer-Büttiker probe formalism for conductances to the high bias regime and study the effects of environmentally induced elastic and inelastic scattering on charge current in single molecule junctions, focusing on high-bias effects. The probe technique phenomenologically incorporates incoherent elastic and inelastic effects to the fully coherent case, mimicking a rich physical environment at trivial cost. We further identify environmentally induced mechanisms which generate an asymmetry in the current, manifested as a weak diode behavior. This rectifying behavior, found in two types of molecular junction models, is absent in the coherent-elastic limit and is only active in themore » case with incoherent-inelastic scattering. Our work illustrates that in the low bias-linear response regime, the commonly used “dephasing probe” (mimicking only elastic decoherence effects) operates nearly indistinguishably from a “voltage probe” (admitting inelastic-dissipative effects). However, these probes realize fundamentally distinct I-V characteristics at high biases, reflecting the central roles of dissipation and inelastic scattering processes on molecular electronic transport far-from-equilibrium.« less

The effect of kinematic parameters on inelastic scattering of glyoxal.

PubMed

Duca, Mariana D

2004-10-08

The effect of kinematic parameters (relative velocity v(rel), relative momentum p(rel), and relative energy E(rel)) on the rotational and rovibrational inelastic scatterings of 0(0)K(0)S(1) trans-glyoxal has been investigated by colliding glyoxal seeded in He or Ar with target gases D2, He, or Ne at different scattering angles in crossed supersonic beams. The inelastic spectra for target gases He and D2 acquired with two different sets of kinematic parameters revealed no significant differences. This result shows that kinematic factors have the major influence in the inelastic scattering channel competition whereas the intermolecular potential energy surface plays only a secondary role. The well-defined exponential dependence of relative cross sections on exchanged angular momentum identifies angular momentum as the dominant kinematic factor in collision-induced rotationally and rovibrationally inelastic scatterings. This is supported by the behavior of the relative inelastic cross sections data in a "slope-p(rel)" representation. In this form, the data show a trend nearly independent of the target gas identity. Representations involving E(rel) and v(rel) show trends specific to the target gas.

Development of constitutive models for cyclic plasticity and creep behavior of super alloys at high temperature

NASA Technical Reports Server (NTRS)

Haisler, W. E.

1983-01-01

An uncoupled constitutive model for predicting the transient response of thermal and rate dependent, inelastic material behavior was developed. The uncoupled model assumes that there is a temperature below which the total strain consists essentially of elastic and rate insensitive inelastic strains only. Above this temperature, the rate dependent inelastic strain (creep) dominates. The rate insensitive inelastic strain component is modelled in an incremental form with a yield function, blow rule and hardening law. Revisions to the hardening rule permit the model to predict temperature-dependent kinematic-isotropic hardening behavior, cyclic saturation, asymmetric stress-strain response upon stress reversal, and variable Bauschinger effect. The rate dependent inelastic strain component is modelled using a rate equation in terms of back stress, drag stress and exponent n as functions of temperature and strain. A sequence of hysteresis loops and relaxation tests are utilized to define the rate dependent inelastic strain rate. Evaluation of the model has been performed by comparison with experiments involving various thermal and mechanical load histories on 5086 aluminum alloy, 304 stainless steel and Hastelloy X.

Born Hartree Bethe approximation in the theory of inelastic electron molecule scattering

NASA Astrophysics Data System (ADS)

Kretinin, I. Yu; Krisilov, A. V.; Zon, B. A.

2008-11-01

We propose a new approximation in the theory of inelastic electron atom and electron molecule scattering. Taking into account the completeness property of atomic and molecular wavefunctions, considered in the Hartree approximation, and using Bethe's parametrization for electronic excitations during inelastic collisions via the mean excitation energy, we show that the calculation of the inelastic total integral cross-sections (TICS), in the framework of the first Born approximation, involves only the ground-state wavefunction. The final analytical formula obtained for the TICS, i.e. for the sum of elastic and inelastic ones, contains no adjusting parameters. Calculated TICS for electron scattering by light atoms and molecules (He, Ne, and H2) are in good agreement within the experimental data; results show asymptotic coincidence for heavier ones (Ar, Kr, Xe and N2).

Calculations of Electron Inelastic Mean Free Paths. XI. Data for Liquid Water for Energies from 50 eV to 30 keV

PubMed Central

Shinotsuka, H.; Da, B.; Tanuma, S.; Yoshikawa, H.; Powell, C. J.; Penn, D. R.

2017-01-01

We calculated electron inelastic mean free paths (IMFPs) for liquid water from its optical energy-loss function (ELF) for electron energies from 50 eV to 30 keV. These calculations were made with the relativistic full Penn algorithm (FPA) that has been used for previous IMFP and electron stopping-power calculations for many elemental solids. We also calculated IMFPs of water with three additional algorithms: the relativistic single-pole approximation (SPA), the relativistic simplified SPA, and the relativistic extended Mermin method. These calculations were made using the same optical ELF in order to assess any differences of the IMFPs arising from choice of the algorithm. We found good agreement among the IMFPs from the four algorithms for energies over 300 eV. For energies less than 100 eV, however, large differences became apparent. IMFPs from the relativistic TPP-2M equation for predicting IMFPs were in good agreement with IMFPs from the four algorithms for energies between 300 eV and 30 keV but there was poorer agreement for lower energies. We calculated values of the static structure factor as a function of momentum transfer from the FPA. The resulting values were in good agreement with results from first-principles calculations and with inelastic X-ray scattering spectroscopy experiments. We made comparisons of our IMFPs with earlier calculations from authors who had used different algorithms and different ELF data sets. IMFP differences could then be analyzed in terms of the algorithms and the data sets. Finally, we compared our IMFPs with measurements of IMFPs and of a related quantity, the effective attenuation length (EAL). There were large variations in the measured IMFPs and EALs (as well as their dependence on electron energy). Further measurements are therefore required to establish consistent data sets and for more detailed comparisons with calculated IMFPs. PMID:28751796

Calculations of Electron Inelastic Mean Free Paths. XI. Data for Liquid Water for Energies from 50 eV to 30 keV.

PubMed

Shinotsuka, H; Da, B; Tanuma, S; Yoshikawa, H; Powell, C J; Penn, D R

2017-04-01

We calculated electron inelastic mean free paths (IMFPs) for liquid water from its optical energy-loss function (ELF) for electron energies from 50 eV to 30 keV. These calculations were made with the relativistic full Penn algorithm (FPA) that has been used for previous IMFP and electron stopping-power calculations for many elemental solids. We also calculated IMFPs of water with three additional algorithms: the relativistic single-pole approximation (SPA), the relativistic simplified SPA, and the relativistic extended Mermin method. These calculations were made using the same optical ELF in order to assess any differences of the IMFPs arising from choice of the algorithm. We found good agreement among the IMFPs from the four algorithms for energies over 300 eV. For energies less than 100 eV, however, large differences became apparent. IMFPs from the relativistic TPP-2M equation for predicting IMFPs were in good agreement with IMFPs from the four algorithms for energies between 300 eV and 30 keV but there was poorer agreement for lower energies. We calculated values of the static structure factor as a function of momentum transfer from the FPA. The resulting values were in good agreement with results from first-principles calculations and with inelastic X-ray scattering spectroscopy experiments. We made comparisons of our IMFPs with earlier calculations from authors who had used different algorithms and different ELF data sets. IMFP differences could then be analyzed in terms of the algorithms and the data sets. Finally, we compared our IMFPs with measurements of IMFPs and of a related quantity, the effective attenuation length (EAL). There were large variations in the measured IMFPs and EALs (as well as their dependence on electron energy). Further measurements are therefore required to establish consistent data sets and for more detailed comparisons with calculated IMFPs.

Gravity Field and Internal Structure of Mercury from MESSENGER

NASA Technical Reports Server (NTRS)

Smith, David E.; Zuber, Maria T.; Phillips, Roger J.; Solomon, Sean C.; Hauck, Steven A., II; Lemoine, Frank G.; Mazarico, Erwan; Neumann, Gregory A.; Peale, Stanton J.; Margot, Jean-Luc;

Gravity field and internal structure of Mercury from MESSENGER.

PubMed

Smith, David E; Zuber, Maria T; Phillips, Roger J; Solomon, Sean C; Hauck, Steven A; Lemoine, Frank G; Mazarico, Erwan; Neumann, Gregory A; Peale, Stanton J; Margot, Jean-Luc; Johnson, Catherine L; Torrence, Mark H; Perry, Mark E; Rowlands, David D; Goossens, Sander; Head, James W; Taylor, Anthony H

2012-04-13

Radio tracking of the MESSENGER spacecraft has provided a model of Mercury's gravity field. In the northern hemisphere, several large gravity anomalies, including candidate mass concentrations (mascons), exceed 100 milli-Galileos (mgal). Mercury's northern hemisphere crust is thicker at low latitudes and thinner in the polar region and shows evidence for thinning beneath some impact basins. The low-degree gravity field, combined with planetary spin parameters, yields the moment of inertia C/MR(2) = 0.353 ± 0.017, where M and R are Mercury's mass and radius, and a ratio of the moment of inertia of Mercury's solid outer shell to that of the planet of C(m)/C = 0.452 ± 0.035. A model for Mercury's radial density distribution consistent with these results includes a solid silicate crust and mantle overlying a solid iron-sulfide layer and an iron-rich liquid outer core and perhaps a solid inner core.

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

Not Available

This volume contains the interim change notice for sample preparation methods. Covered are: acid digestion for metals analysis, fusion of Hanford tank waste solids, water leach of sludges/soils/other solids, extraction procedure toxicity (simulate leach in landfill), sample preparation for gamma spectroscopy, acid digestion for radiochemical analysis, leach preparation of solids for free cyanide analysis, aqueous leach of solids for anion analysis, microwave digestion of glasses and slurries for ICP/MS, toxicity characteristic leaching extraction for inorganics, leach/dissolution of activated metal for radiochemical analysis, extraction of single-shell tank (SST) samples for semi-VOC analysis, preparation and cleanup of hydrocarbon- containing samples for VOCmore » and semi-VOC analysis, receiving of waste tank samples in onsite transfer cask, receipt and inspection of SST samples, receipt and extrusion of core samples at 325A shielded facility, cleaning and shipping of waste tank samplers, homogenization of solutions/slurries/sludges, and test sample preparation for bioassay quality control program.« less