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Sample records for anisotropic transport properties

  1. Tuning anisotropic electronic transport properties of phosphorene via substitutional doping.

    PubMed

    Guo, Caixia; Xia, Congxin; Fang, Lizhen; Wang, Tianxing; Liu, Yufang

    2016-10-01

    Using first-principles calculations, we studied the anisotropic electronic transport properties of pristine and X-doped phosphorene (X = B, Al, Ga, C, Si, Ge, N, As, O, S, and Se atoms). The results show that doping different elements can induce obviously different electronic transport characteristics. Moreover, isovalent doping maintains semiconducting characteristics and anisotropic transport properties, while group IV and VI atoms doping can induce metal properties. Meanwhile, Al and Ga substituting P decrease the anisotropic behaviors of transport, and other atom doping still preserves anisotropic characteristics. Interestingly, obvious negative differential resistance behaviors can be observed in C, Si, Ge, O, S, and Se-doped phosphorene.

  2. Anisotropic bias dependent transport property of defective phosphorene layer

    PubMed Central

    Umar Farooq, M.; Hashmi, Arqum; Hong, Jisang

    2015-01-01

    Phosphorene is receiving great research interests because of its peculiar physical properties. Nonetheless, no systematic studies on the transport properties modified due to defects have been performed. Here, we present the electronic band structure, defect formation energy and bias dependent transport property of various defective systems. We found that the defect formation energy is much less than that in graphene. The defect configuration strongly affects the electronic structure. The band gap vanishes in single vacancy layers, but the band gap reappears in divacancy layers. Interestingly, a single vacancy defect behaves like a p-type impurity for transport property. Unlike the common belief, we observe that the vacancy defect can contribute to greatly increasing the current. Along the zigzag direction, the current in the most stable single vacancy structure was significantly increased as compared with that found in the pristine layer. In addition, the current along the armchair direction was always greater than along the zigzag direction and we observed a strong anisotropic current ratio of armchair to zigzag direction. PMID:26198318

  3. Exceptional and Anisotropic Transport Properties of Photocarriers in Black Phosphorus.

    PubMed

    He, Jiaqi; He, Dawei; Wang, Yongsheng; Cui, Qiannan; Bellus, Matthew Z; Chiu, Hsin-Ying; Zhao, Hui

    2015-06-23

    One key challenge in developing postsilicon electronic technology is to find ultrathin channel materials with high charge mobilities and sizable energy band gaps. Graphene can offer extremely high charge mobilities; however, the lack of a band gap presents a significant barrier. Transition metal dichalcogenides possess sizable and thickness-tunable band gaps; however, their charge mobilities are relatively low. Here we show that black phosphorus has room-temperature charge mobilities on the order of 10(4) cm(2) V(-1) s(-1), which are about 1 order of magnitude larger than silicon. We also demonstrate strong anisotropic transport in black phosphorus, where the mobilities along the armchair direction are about 1 order of magnitude larger than in the zigzag direction. A photocarrier lifetime as long as 100 ps is also determined. These results illustrate that black phosphorus is a promising candidate for future electronic and optoelectronic applications.

  4. Highly Anisotropic intrinsic electronic transport properties of monolayer and bilayer phosphorene from first principles1

    NASA Astrophysics Data System (ADS)

    Jin, Zhenghe; Mullen, Jeffrey; Kim, Ki Wook

    We present an analysis of the electron(hole)-phonon scattering in monolayer and bilayer phosphorene using first principles. Density Functional Theory (DFT) and Density Functional Perturbation Theory (DFPT) are used to calculate the scattering matrix elements and full band Monte Carlo carrier transport simulation is employed to obtain the intrinsic electron/hole mobility. Room temperature mobility and saturation velocity in monolayer and bilayer phosphorene are extracted and significant layer number dependence in the mobility is revealed which results from the carrier-phonon interaction matrix elements. The transport properties are also varied with the crystal orientation with anisotropy mobility mostly attributed to the anisotropic band structure and effective masses. Our calculation reveals monolayer phosphorene has anisotropic hole transport property with the room temperature mobility in the armchair direction (458 cm2/Vs) about five times larger than in the zigzag direction (90 cm2/Vs). For bilayer phosphorene, the mobility on both directions increases to 1610 cm2/Vs and 760 cm2/Vs along armchair and zigzag direction respectively. The increased mobility in bilayer is consistent with the experiments which revealed low field mobility of over one thousand in multiple layer phosphorene structure, which provides optimal material for channel in field-effect transistor and a good opportunity for high-performance p-type device. 1This work was supported, in part, by SRC/NRI SWAN.

  5. Self-Assembled Magnetic Metallic Nanopillars in Ceramic Matrix with Anisotropic Magnetic and Electrical Transport Properties.

    PubMed

    Su, Qing; Zhang, Wenrui; Lu, Ping; Fang, Shumin; Khatkhatay, Fauzia; Jian, Jie; Li, Leigang; Chen, Fanglin; Zhang, Xinghang; MacManus-Driscoll, Judith L; Chen, Aiping; Jia, Quanxi; Wang, Haiyan

    2016-08-10

    Ordered arrays of metallic nanopillars embedded in a ceramic matrix have recently attracted considerable interest for their multifunctionality in advanced devices. A number of hurdles need to be overcome for achieving practical devices, including selections of metal-ceramic combination, creation of tunable and ordered structure, and control of strain state. In this article, we demonstrate major advances to create such a fine nanoscale structure, i.e., epitaxial self-assembled vertically aligned metal-ceramic composite, in one-step growth using pulsed laser deposition. Tunable diameter and spacing of the nanopillars can be achieved by controlling the growth parameters such as deposition temperature. The magnetic metal-ceramic composite thin films demonstrate uniaxial anisotropic magnetic properties and enhanced coercivity compared to that of bulk metal. The system also presents unique anisotropic electrical transport properties under in-plane and out-of-plane directions. This work paves a new avenue to fabricate epitaxial metal-ceramic nanocomposites, which can simulate broader future explorations in nanocomposites with novel magnetic, optical, electrical, and catalytical properties. PMID:27438729

  6. Anisotropic transport and magnetic properties of arrays of sub-micron wires

    NASA Astrophysics Data System (ADS)

    Piraux, L.; Dubois, S.; Ferain, E.; Legras, R.; Ounadjela, K.; George, J. M.; Maurice, J. L.; Fert, A.

    1997-01-01

    We report a comparative study of anisotropic magnetoresistance and magnetic properties in arrays of sub-micron Ni and Co wires electro-deposited in the cylindrical pores of track-etched polymer membranes. The variation of coercivity and squareness as a function of wire diameter for arrays of almost isolated sub-micron wires is reported in the range 30-500 nm. The Ni and Co-based systems demonstrate different magnetic and magnetoresistive behaviors except for the smallest diameter. It is believed that the observed difference originates from the presence of competing crystal anisotropy in the Co-based system.

  7. Highly anisotropic electronic transport properties of monolayer and bilayer phosphorene from first principles

    NASA Astrophysics Data System (ADS)

    Jin, Zhenghe; Mullen, Jeffrey T.; Kim, Ki Wook

    2016-08-01

    The intrinsic carrier transport dynamics in phosphorene is theoretically examined. Utilizing a density functional theory treatment, the low-field mobility and the saturation velocity are characterized for both electrons and holes in the monolayer and bilayer structures. The analysis clearly elucidates the crystal orientation dependence manifested through the anisotropic band structure and the carrier-phonon scattering rates. In the monolayer, the hole mobility in the armchair direction is estimated to be approximately five times larger than in the zigzag direction at room temperature (460 cm2/V s vs. 90 cm2/V s). The bilayer transport, on the other hand, exhibits a more modest anisotropy with substantially higher mobilities (1610 cm2/V s and 760 cm2/V s, respectively). The calculations on the conduction-band electrons indicate a comparable dependence while the characteristic values are generally smaller by about a factor of two. The variation in the saturation velocity is found to be less pronounced. With the anticipated superior performance and the diminished anisotropy, few-layer phosphorene offers a promising opportunity particularly in p-type applications.

  8. Anisotropic thermodynamic and transport properties of single-crystalline CaKFe4As4

    DOE PAGES

    Meier, W. R.; Kong, T.; Kaluarachchi, U. S.; Taufour, V.; Jo, N. H.; Drachuck, G.; Böhmer, A. E.; Saunders, S. M.; Sapkota, A.; Kreyssig, A.; et al

    2016-08-01

    We grew single-crystalline, single-phase CaKFe4As4 out of a high-temperature, quaternary melt. Temperature-dependent measurements of x-ray diffraction, anisotropic electrical resistivity, elastoresistivity, thermoelectric power, Hall effect, magnetization, and specific heat, combined with field-dependent measurements of electrical resistivity and field and pressure-dependent measurements of magnetization indicate that CaKFe4As4 is an ordered, stoichiometric, Fe-based superconductor with a superconducting critical temperature, Tc=35.0±0.2 K. Other than superconductivity, there is no indication of any other phase transition for 1.8K≤T≤300 K. All of these thermodynamic and transport data reveal striking similarities to those found for optimally or slightly overdoped (Ba1-xKx)Fe2As2, suggesting that stoichiometric CaKFe4As4 is intrinsically close to what is referred to as “optimal-doped” on a generalized, Fe-based superconductor, phase diagram. Furthermore, the anisotropic superconducting upper critical field, Hc2(T), of CaKFe4As4 was determined up to 630 kOe. The anisotropy parameter γ(T)=Hmore » $$⊥\\atop{c2}$$/H$$∥\\atop{c2}$$, for H applied perpendicular and parallel to the c axis, decreases from ≃2.5 at Tc to ≃1.5 at 25 K, which can be explained by interplay of paramagnetic pair breaking and orbital effects. The slopes of dH$$∥\\atop{c2}$$/dT≃-44 kOe/K and dH$$⊥\\atop{c2}$$/dT≃-109 kOe/K at Tc yield an electron mass anisotropy of m⊥/m∥≃1/6 and short Ginzburg-Landau coherence lengths ξ∥(0)≃5.8Å and ξ⊥(0)≃14.3Å. Finally, the value of H$$⊥\\atop{c2}$$(0) can be extrapolated to ≃920 kOe, well above the BCS paramagnetic limit.« less

  9. Anisotropic thermodynamic and transport properties of single-crystalline CaKFe4As4

    NASA Astrophysics Data System (ADS)

    Meier, W. R.; Kong, T.; Kaluarachchi, U. S.; Taufour, V.; Jo, N. H.; Drachuck, G.; Böhmer, A. E.; Saunders, S. M.; Sapkota, A.; Kreyssig, A.; Tanatar, M. A.; Prozorov, R.; Goldman, A. I.; Balakirev, Fedor F.; Gurevich, Alex; Bud'ko, S. L.; Canfield, P. C.

    2016-08-01

    Single-crystalline, single-phase CaKFe4As4 has been grown out of a high-temperature, quaternary melt. Temperature-dependent measurements of x-ray diffraction, anisotropic electrical resistivity, elastoresistivity, thermoelectric power, Hall effect, magnetization, and specific heat, combined with field-dependent measurements of electrical resistivity and field and pressure-dependent measurements of magnetization indicate that CaKFe4As4 is an ordered, stoichiometric, Fe-based superconductor with a superconducting critical temperature, Tc=35.0 ±0.2 K. Other than superconductivity, there is no indication of any other phase transition for 1.8 K≤T ≤300 K. All of these thermodynamic and transport data reveal striking similarities to those found for optimally or slightly overdoped (Ba1 -xKx )Fe2As2 , suggesting that stoichiometric CaKFe4As4 is intrinsically close to what is referred to as "optimal-doped" on a generalized, Fe-based superconductor, phase diagram. The anisotropic superconducting upper critical field, Hc 2(T ) , of CaKFe4As4 was determined up to 630 kOe. The anisotropy parameter γ (T ) =Hc2 ⊥/Hc2 ∥ , for H applied perpendicular and parallel to the c axis, decreases from ≃2.5 at Tc to ≃1.5 at 25 K, which can be explained by interplay of paramagnetic pair breaking and orbital effects. The slopes of d Hc2 ∥/d T ≃-44 kOe/K and d Hc2 ⊥/d T ≃-109 kOe/K at Tc yield an electron mass anisotropy of m⊥/m∥≃1 /6 and short Ginzburg-Landau coherence lengths ξ∥(0 ) ≃5.8 Å and ξ⊥(0 ) ≃14.3 Å . The value of Hc2 ⊥(0 ) can be extrapolated to ≃920 kOe, well above the BCS paramagnetic limit.

  10. Anisotropic transport properties in the phase-separated La0.67Ca0.33MnO3/NdGaO3 (001) films

    NASA Astrophysics Data System (ADS)

    Hong-Rui, Zhang; Yuan-Bo, Liu; Shuan-Hu, Wang; De-Shun, Hong; Wen-Bin, Wu; Ji-Rong, Sun

    2016-07-01

    The anisotropic transport property was investigated in a phase separation La0.67Ca0.33MnO3 (LCMO) film grown on (001)-oriented NdGaO3 (NGO) substrate. It was found that the resistivity along the b-axis is much higher than that along the a-axis. Two resistivity peaks were observed in the temperature dependent measurement along the b-axis, one located at 91 K and the other centered at 165 K. Moreover, we also studied the response of the resistivities along the two axes to various electric currents, magnetic fields, and light illuminations. The resistivities along the two axes are sensitive to the magnetic field. However, the electric current and light illumination can influence the resistivity along the b-axis obviously, but have little effect on the resistivity along the a-axis. Based on these results, we believe that an anisotropic-strain-controlled MnO6 octahedra shear-mode deformation may provide a mechanism of conduction filaments paths along the a-axis, which leads to the anisotropic transport property. Project supported by the National Basic Research Program of China (Grant Nos. 2011CB921801, 2012CB921403, and 2013CB921701) and the National Natural Science Foundation of China (Grant Nos. 11074285, 51372064, and 11134007).

  11. Phase diagram and anisotropic transport properties of Nd{sub 1{minus}x}Sr{sub x}MnO{sub 3} crystals

    SciTech Connect

    Kuwahara, H.; Okuda, T.; Tomioka, Y.; Kimura, T.; Asamitsu, A.; Tokura, Y. |

    1998-12-31

    The authors have investigated electronic transport and magnetic properties of perovskite-type Nd{sub 1{minus}x}Sr{sub x}MnO{sub 3} crystals with change of controlled hole-doping level (0.30 {le} x {le} 0.80). The electronic phase diagram of Nd{sub 1{minus}x}Sr{sub x}MnO{sub 3} was obtained by systematic measurements of magnetization (magnetic structure), resistivity, and lattice parameter. The authors have also studied the anisotropic transport properties of x = 0.50 and 0.55 crystals with different magnetic structures: CE-type antiferromagnetic (AF) structure for x = 0.50 and A-type layered AF one for x = 0.55. In the case of the x = 0.55 crystal, the metallic behavior was observed within the ferromagnetic (F) layers, while along the AF-coupling direction the crystal remains insulating over the whole temperature region. The observed large anisotropy is due to the magnetic as well as orbital-ordering induced confinement of the spin-polarized carriers within the F sheets. The nearly isotropic transport behavior has been confirmed for the CE-type AF charge-ordered state in the x = 0.50 crystal.

  12. Elastic Anisotropy and Anisotropic Transport Properties of Cu3SbSe4 and Cu3SbS4

    NASA Astrophysics Data System (ADS)

    Xu, Bin; Zhang, Xiangdan; Sun, Yunzhou; Zhang, Jing; Wang, Yusheng; Yi, Lin

    2014-09-01

    Copper-based ternary chalcogenide semiconductors with zincblende-related crystal structures have recently emerged as some of the best performing p-type thermoelectric materials. Here, first-principles calculations are used to investigate the structural, elastic, and thermoelectric properties of Cu3SbSe4 and Cu3SbS4. The calculated lattice constants and atomic coordinates are in good agreement with those obtained in the previous experiments, which shows that our method is reliable. We found that the hybridization among atoms forms [SbSe4] and [CuSe4] tetrahedral structures. The spin-orbit (SO) interaction is included in the calculations for electronic structures and thermoelectric properties. It is predicted that Cu3SbSe4 and Cu3SbS4 are mechanically stable, relatively soft materials with high compressibility, and are low small-hardness ionic materials, and with more anisotropy in shear than in compressibility. The results also show that the mechanical stability of these materials is limited by the shear modulus G. Furthermore, Cu3SbSe4 can be classified as a brittle material, whereas Cu3SbS4 can be classified as a ductile material. The semiclassical Boltzmann transport theory was used to calculate the Seebeck coefficients, electrical conductivities, electronic thermal conductivities, power factors, and thermoelectric figures of merit ZeT of Cu3SbSe4 and Cu3SbS4 along two crystallographic directions, and the optimal doping concentrations were estimated on the basis of the predicted thermoelectric properties. The temperature dependences of the thermoelectric transport properties of Cu3SbSe4 and Cu3SbS4 were also estimated and compared with experimental data, with good agreement observed.

  13. Elastic properties of spherically anisotropic piezoelectric composites

    NASA Astrophysics Data System (ADS)

    Wei, En-Bo; Gu, Guo-Qing; Poon, Ying-Ming

    2010-09-01

    Effective elastic properties of spherically anisotropic piezoelectric composites, whose spherically anisotropic piezoelectric inclusions are embedded in an infinite non-piezoelectric matrix, are theoretically investigated. Analytical solutions for the elastic displacements and the electric potentials under a uniform external strain are derived exactly. Taking into account of the coupling effects of elasticity, permittivity and piezoelectricity, the formula is derived for estimating the effective elastic properties based on the average field theory in the dilute limit. An elastic response mechanism is revealed, in which the effective elastic properties increase as inclusion piezoelectric properties increase and inclusion dielectric properties decrease. Moreover, a piezoelectric response mechanism, of which the effective piezoelectric response vanishes due to the symmetry of spherically anisotropic composite, is also disclosed.

  14. Pulse transient hot strip technique adapted for slab sample geometry to study anisotropic thermal transport properties of μm-thin crystalline films.

    PubMed

    Ma, Y; Gustavsson, J S; Haglund, A; Gustavsson, M; Gustafsson, S E

    2014-04-01

    A new method based on the adaptation of the Pulse Transient Hot Strip technique to slab sample geometry has been developed for studying thermal conductivity and thermal diffusivity of anisotropic thin film materials (<50 μm) with thermal conductivity in the 0.01-100 W/mK range, deposited on thin substrates (i.e., wafers). Strength of this technique is that it provides a well-controlled thermal probing depth, making it possible to probe a predetermined depth of the sample layer and thereby avoiding the influence from material(s) deeper down in the sample. To verify the technique a series of measurements were conducted on a y-cut single crystal quartz wafer. A Hot Strip sensor (32-μm wide, 3.2-mm long) was deposited along two orthogonal crystallographic (x- and z-) directions and two independent pulse transients were recorded. Thereafter, the data was fitted to our theoretical model, and the anisotropic thermal transport properties were determined. Using a thermal probing depth of only 30 μm, we obtained a thermal conductivity along the perpendicular (parallel) direction to the z-, i.e., optic axis of 6.48 (11.4) W/mK, and a thermal diffusivity of 3.62 (6.52) mm(2)/s. This yields a volumetric specific heat of 1.79 MJ/mK. These values agree well with tabulated data on bulk crystalline quartz supporting the accuracy of the technique, and the obtained standard deviation of less than 2.7% demonstrates the precision of this new measurement technique.

  15. Study on anisotropic quantum transport in graphene sheets by ESR

    NASA Astrophysics Data System (ADS)

    Yan, Liqin; Sun, Young; Huang, Jiao; Chen, Xiaolong

    Quantum transport in graphene has attracted much attention due to its excellent thermal conductivity and high room-temperature electron mobility. Using the electron spin resonance (ESR) spectrometer for studying weak localization (WL) and weak antilocalization (WAL) effects, except for having the obvious advantage of no need for electrical contacts, differs from the electric transport measurement technique also in the dominant signal from the surface of the layer not from the bulk substrate. Here we have studied an experimental anisotropic quantum transport performed on an assemblage of vertical aligned graphene sheets from 5 to 300 K by a Bruker X-band (9.3 GHz). An anisotropic quantum transport is observed between b with WL and c with WAL axes at 5 - 50 K. With increasing temperature, the transport mechanism is changed along b and c axes. We use WL theory to fit all the spectra and obtain the coherence length Lϕ, long range scattering length Llr, intervalley scattering length Li and analyze the data. Our results indicate that ESR is a robust platform to study the intrinsic physical properties of graphene.

  16. THE ANISOTROPIC TRANSPORT EFFECTS ON DILUTE PLASMAS

    SciTech Connect

    Devlen, Ebru

    2011-04-20

    We examine the linear stability analysis of a hot, dilute, and differentially rotating plasma by considering anisotropic transport effects. In dilute plasmas, the ion Larmor radius is small compared with its collisional mean free path. In this case, the transport of heat and momentum along the magnetic field lines becomes important. This paper presents a novel linear instability that may be more powerful and greater than ideal magnetothermal instability and ideal magnetorotational instability in the dilute astrophysical plasmas. This type of plasma is believed to be found in the intracluster medium (ICM) of galaxy clusters and radiatively ineffective accretion flows around black holes. We derive the dispersion relation of this instability and obtain the instability condition. There is at least one unstable mode that is independent of the temperature gradient direction for a helical magnetic field geometry. This novel instability is driven by the gyroviscosity coupled with differential rotation. Therefore, we call it gyroviscous-modified magnetorotational instability (GvMRI). We examine how the instability depends on signs of the temperature gradient and the gyroviscosity and also on the magnitude of the thermal frequency and on the values of the pitch angle. We provide a detailed physical interpretation of the obtained results. The GvMRI is applicable not only to the accretion flows and ICM but also to the transition region between cool dense gas and the hot low-density plasma in stellar coronae, accretion disks, and the multiphase interstellar medium because it is independent of the temperature gradient direction.

  17. Numerical investigation of nanoparticles transport in anisotropic porous media.

    PubMed

    Salama, Amgad; Negara, Ardiansyah; El Amin, Mohamed; Sun, Shuyu

    2015-10-01

    In this work the problem related to the transport of nanoparticles in anisotropic porous media is investigated numerically using the multipoint flux approximation. Anisotropy of porous media properties is an essential feature that exists almost everywhere in subsurface formations. In anisotropic media, the flux and the pressure gradient vectors are no longer collinear and therefore interesting patterns emerge. The transport of nanoparticles in subsurface formations is affected by several complex processes including surface charges, heterogeneity of nanoparticles and soil grain collectors, interfacial dynamics of double-layer and many others. We use the framework of the theory of filtration in this investigation. Processes like particles deposition, entrapment, as well as detachment are accounted for. From the numerical methods point of view, traditional two-point flux finite difference approximation cannot handle anisotropy of media properties. Therefore, in this work we use the multipoint flux approximation (MPFA). In this technique, the flux components are affected by more neighboring points as opposed to the mere two points that are usually used in traditional finite volume methods. We also use the experimenting pressure field approach which automatically constructs the global system of equations by solving multitude of local problems. This approach facilitates to a large extent the construction of the global system. A set of numerical examples is considered involving two-dimensional rectangular domain. A source of nanoparticles is inserted in the middle of the anisotropic layer. We investigate the effects of both anisotropy angle and anisotropy ratio on the transport of nanoparticles in saturated porous media. It is found that the concentration plume and porosity contours follow closely the principal direction of anisotropy of permeability of the central domain.

  18. Numerical investigation of nanoparticles transport in anisotropic porous media.

    PubMed

    Salama, Amgad; Negara, Ardiansyah; El Amin, Mohamed; Sun, Shuyu

    2015-10-01

    In this work the problem related to the transport of nanoparticles in anisotropic porous media is investigated numerically using the multipoint flux approximation. Anisotropy of porous media properties is an essential feature that exists almost everywhere in subsurface formations. In anisotropic media, the flux and the pressure gradient vectors are no longer collinear and therefore interesting patterns emerge. The transport of nanoparticles in subsurface formations is affected by several complex processes including surface charges, heterogeneity of nanoparticles and soil grain collectors, interfacial dynamics of double-layer and many others. We use the framework of the theory of filtration in this investigation. Processes like particles deposition, entrapment, as well as detachment are accounted for. From the numerical methods point of view, traditional two-point flux finite difference approximation cannot handle anisotropy of media properties. Therefore, in this work we use the multipoint flux approximation (MPFA). In this technique, the flux components are affected by more neighboring points as opposed to the mere two points that are usually used in traditional finite volume methods. We also use the experimenting pressure field approach which automatically constructs the global system of equations by solving multitude of local problems. This approach facilitates to a large extent the construction of the global system. A set of numerical examples is considered involving two-dimensional rectangular domain. A source of nanoparticles is inserted in the middle of the anisotropic layer. We investigate the effects of both anisotropy angle and anisotropy ratio on the transport of nanoparticles in saturated porous media. It is found that the concentration plume and porosity contours follow closely the principal direction of anisotropy of permeability of the central domain. PMID:26212784

  19. Anisotropic distributions in a multiphase transport model

    NASA Astrophysics Data System (ADS)

    Zhou, You; Xiao, Kai; Feng, Zhao; Liu, Feng; Snellings, Raimond

    2016-03-01

    With a multiphase transport (AMPT) model we investigate the relation between the magnitude, fluctuations, and correlations of the initial state spatial anisotropy ɛn and the final state anisotropic flow coefficients vn in Au+Au collisions at √{s NN}=200 GeV. It is found that the relative eccentricity fluctuations in AMPT account for the observed elliptic flow fluctuations, both are in agreement with the elliptic flow fluctuation measurements from the STAR collaboration. In addition, the studies based on two- and multiparticle correlations and event-by-event distributions of the anisotropies suggest that the elliptic-power function is a promising candidate of the underlying probability density function of the event-by-event distributions of ɛn as well as vn. Furthermore, the correlations between different order symmetry planes and harmonics in the initial coordinate space and final state momentum space are presented. Nonzero values of these correlations have been observed. The comparison between our calculations and data will, in the future, shed new insight into the nature of the fluctuations of the quark-gluon plasma produced in heavy ion collisions.

  20. Disentangling scaling properties in anisotropic fracture.

    PubMed

    Bouchbinder, Eran; Procaccia, Itamar; Sela, Shani

    2005-12-16

    Structure functions of rough fracture surfaces in isotropic materials exhibit complicated scaling properties due to the broken isotropy in the fracture plane generated by a preferred propagation direction. Decomposing the structure functions into the even order irreducible representations of the SO(2) symmetry group indexed by (m = 0, 2, 4, . . .) results in a lucid and quickly convergent description. The scaling exponent of the isotropic sector (m = 0) dominates at small length scales. One can reconstruct the anisotropic structure functions using only the isotropic and the first nonvanishing anisotropic sector (m = 2) [or at most the next one (m = 4)]. The scaling exponent of the isotropic sector should be observed in a proposed, yet unperformed, experiment.

  1. Field dependent spin transport of anisotropic Heisenberg chain

    NASA Astrophysics Data System (ADS)

    Rezania, H.

    2016-04-01

    We have addressed the static spin conductivity and spin Drude weight of one-dimensional spin-1/2 anisotropic antiferromagnetic Heisenberg chain in the finite magnetic field. We have investigated the behavior of transport properties by means of excitation spectrum in terms of a hard core bosonic representation. The effect of in-plane anisotropy on the spin transport properties has also been studied via the bosonic model by Green's function approach. This anisotropy is considered for exchange constants that couple spin components perpendicular to magnetic field direction. We have found the temperature dependence of the spin conductivity and spin Drude weight in the gapped field induced spin-polarized phase for various magnetic field and anisotropy parameters. Furthermore we have studied the magnetic field dependence of static spin conductivity and Drude weight for various anisotropy parameters. Our results show the regular part of spin conductivity vanishes in isotropic case however Drude weight has a finite non-zero value and the system exhibits ballistic transport properties. We also find the peak in the static spin conductivity factor moves to higher temperature upon increasing the magnetic field at fixed anisotropy. The static spin conductivity is found to be monotonically decreasing with magnetic field due to increase of energy gap in the excitation spectrum. Furthermore we have studied the temperature dependence of spin Drude weight for different magnetic field and various anisotropy parameters.

  2. Measuring anisotropic muscle stiffness properties using elastography.

    PubMed

    Green, M A; Geng, G; Qin, E; Sinkus, R; Gandevia, S C; Bilston, L E

    2013-11-01

    Physiological and pathological changes to the anisotropic mechanical properties of skeletal muscle are still largely unknown, with only a few studies quantifying changes in vivo. This study used the noninvasive MR elastography (MRE) technique, in combination with diffusion tensor imaging (DTI), to measure shear modulus anisotropy in the human skeletal muscle in the lower leg. Shear modulus measurements parallel and perpendicular to the fibre direction were made in 10 healthy subjects in the medial gastrocnemius, soleus and tibialis anterior muscles. The results showed significant differences in the medial gastrocnemius (μ‖ = 0.86 ± 0.15 kPa; μ⊥ = 0.66 ± 0.19 kPa, P < 0.001), soleus (μ‖ = 0.83 ± 0.22 kPa; μ⊥ = 0.65 ± 0.13 kPa, P < 0.001) and the tibialis anterior (μ‖ = 0.78 ± 0.24 kPa; μ⊥ = 0.66 ± 0.16 kPa, P = 0.03) muscles, where the shear modulus measured in the direction parallel is greater than that measured in the direction perpendicular to the muscle fibres. No significant differences were measured across muscle groups. This study provides the first direct estimates of the anisotropic shear modulus in the triceps surae muscle group, and shows that the technique may be useful for the probing of mechanical anisotropy changes caused by disease, aging and injury.

  3. Transport equations for multicomponent anisotropic space plasmas - A review

    NASA Technical Reports Server (NTRS)

    Barakat, A. R.; Schunk, R. W.

    1982-01-01

    An attempt is made to present a unified approach to the study of transport phenomena in multicomponent anisotropic space plasmas. In particular, a system of generalized transport equations is presented that can be applied to widely different plasma flow conditions. The generalized transport equations can describe subsonic and supersonic flows, collision-dominated and collisionless flows, plasma flows in rapidly changing magnetic field configurations, multicomponent plasma flows with large temperature differences between the interacting species, and plasma flows that contain anisotropic temperature distributions. In addition, if Maxwell's equations of electricity and magnetism are added to the system of transport equations, they can be used to model electrostatic shocks, double layers, and magnetic merging processes. These transport equations also contain terms which act to regulate both the heat flow and temperature anisotropy, processes which appear to be operating in the solar wind.

  4. Biochemical and anisotropical properties of tendons.

    PubMed

    Aparecida de Aro, Andrea; Vidal, Benedicto de Campos; Pimentel, Edson Rosa

    2012-02-01

    Tendons are formed by dense connective tissue composed of an abundant extracellular matrix (ECM) that is constituted mainly of collagen molecules, which are organized into fibrils, fibers, fiber bundles and fascicles helicoidally arranged along the largest axis of the tendon. The biomechanical properties of tendons are directly related to the organization of the collagen molecules that aggregate to become a super-twisted cord. In addition to collagen, the ECM of tendons is composed of non-fibrillar components, such as proteoglycans and non-collagenous glycoproteins. The capacity of tendons to resist mechanical stress is directly related to the structural organization of the ECM. Collagen is a biopolymer and presents optical anisotropies, such as birefringence and linear dichroism, that are important optical properties in the characterization of the supramolecular organization of the fibers. The objective of this study was to present a review of the composition and organization of the ECM of tendons and to highlight the importance of the anisotropic optical properties in the study of alterations in the ECM.

  5. Anisotropic thermal transport in phosphorene: effects of crystal orientation.

    PubMed

    Liu, Te-Huan; Chang, Chien-Cheng

    2015-06-28

    As an intrinsic thermally anisotropic material, the thermal properties of phosphorene must vary with respect to the crystal chirality. Nevertheless, previous studies of heat transfer in phosphorene have been limited to the 0.0° (zigzag, ZZ) and 90.0° (armchair, AC) chiralities. In this study, we investigate the orientation-dependent thermal transport in phosphorene sheets with a complete set of crystal chirality ranging from 0.0° to 90.0° using the Boltzmann transport equation (BTE) associated with the first-principles calculations. It was found that in the phosphorene sheets, the intrinsic thermal conductivity is a smooth monotonic decreasing function of the crystal chirality, which exhibits sinusoidal behavior bounded by the two terminated values 48.9 (0.0°) and 27.8 (90.0°) W m(-1) K(-1). The optical modes have unusually large contributions to heat transfer, which account for almost 30% of the total thermal conductivity of phosphorene sheets. This is because the optical phonons have comparable group velocities and relaxation times to the acoustic phonons.

  6. Investigation of anisotropic thermal transport in cross-linked polymers

    NASA Astrophysics Data System (ADS)

    Simavilla, David Nieto

    Thermal transport in lightly cross-linked polyisoprene and polybutadine subjected to uniaxial elongation is investigated experimentally. We employ two experimental techniques to assess the effect that deformation has on this class of materials. The first technique, which is based on Forced Rayleigh Scattering (FRS), allows us to measure the two independent components of the thermal diffusivity tensor as a function of deformation. These measurements along with independent measurements of the tensile stress and birefringence are used to evaluate the stress-thermal and stress-optic rules. The stress-thermal rule is found to be valid for the entire range of elongations applied. In contrast, the stress-optic rule fails for moderate to large stretch ratios. This suggests that the degree of anisotropy in thermal conductivity depends on both orientation and tension in polymer chain segments. The second technique, which is based on infrared thermography (IRT), allows us to measure anisotropy in thermal conductivity and strain induced changes in heat capacity. We validate this method measurements of anisotropic thermal conductivity by comparing them with those obtained using FRS. We find excellent agreement between the two techniques. Uncertainty in the infrared thermography method measurements is estimated to be about 2-5 %. The accuracy of the method and its potential application to non-transparent materials makes it a good alternative to extend current research on anisotropic thermal transport in polymeric materials. A second IRT application allows us to investigate the dependence of heat capacity on deformation. We find that heat capacity increases with stretch ratio in polyisoprene specimens under uniaxial extension. The deviation from the equilibrium value of heat capacity is consistent with an independent set of experiments comparing anisotropy in thermal diffusivity and conductivity employing FRS and IRT techniques. We identify finite extensibility and strain

  7. Anisotropic Properties of Stainless Steel—Clad Aluminum Sheet

    NASA Astrophysics Data System (ADS)

    Kim, Daeyong; Hwang, Bum Kyu; Lee, Young Seon; Kim, Ji Hoon; Kim, Min-Joong

    2010-06-01

    The production of a stainless steel—clad aluminum sheet by the cold rolling process is a more efficient and economical approach compared with the other types of processes utilized for the production of such sheets. Because both the stainless steel and aluminum sheets show the highly anisotropic behavior, it is necessary to investigate anisotropic properties of clad sheets for the design of process. In this paper, to investigate the anisotropic properties of stainless steel—clad aluminum sheet, two kinds of clad sheets were considered: STS439/AA3003 and STS439/AA1050/STS304 clad sheets. The uni-axial tension tests at 0, 45 and 90 degrees for the rolling direction were performed to obtained yield stresses and R values. The strain ratio at balanced biaxial tension state was measured from compression disk test. In order to describe the anisotropic behavior of the clad sheet, nonquadratic anisotropic yield function Yld2000-2d was utilized.

  8. Theory for propulsion and transport in an anisotropic fluid

    NASA Astrophysics Data System (ADS)

    Powers, Thomas; Krieger, Madison; Spagnolie, Saverio

    2013-11-01

    Swimming microorganisms are typically found in complex fluids, which are full of polymers. When these polymers align, the fluid becomes anisotropic. We seek to understand how anisotropy affects swimming when the stroke is prescribed. We model the anisotropic fluid with a nematic liquid crystal. The swimmer is a two-dimensional sheet deforming via propagating transverse or longitudinal waves. We find that the nature of anchoring conditions for the nematic degrees of freedom plays a critical role in determining the swimming speed. Furthermore, we study the fluid transport induced by the swimmers motion by calculating the flux of fluid in the laboratory frame. Finally, we elucidate the various limits of the nematic theory, such as the six-fold symmetric hexatic case and Ericksen's transversely isotropic fluid.

  9. Anisotropic magnetization and transport properties of RAgSb{sub 2} (R=Y, La-Nd, Sm, Gd-Tm)

    SciTech Connect

    Myers, Kenneth D.

    1999-11-08

    This study of the RAgSb{sub 2} series of compounds arose as part of an investigation of rare earth intermetallic compounds containing antimony with the rare earth in a position with tetragonal point symmetry. Materials with the rare earth in a position with tetragonal point symmetry frequently manifest strong anisotropies and rich complexity in the magnetic properties, and yet are simple enough to analyze. Antimony containing intermetallic compounds commonly possess low carrier densities and have only recently been the subject of study. Large single grain crystals were grown of the RAgSb{sub 2} (R=Y, La-Nd, Sm, Gd-Tm) series of compounds out of a high temperature solution. This method of crystal growth, commonly known as flux growth is a versatile method which takes advantage of the decreasing solubility of the target compound with decreasing temperature. Overall, the results of the crystal growth were impressive with the synthesis of single crystals of LaAgSb{sub 2} approaching one gram. However, the sample yield diminishes as the rare earth elements become smaller and heavier. Consequently, no crystals could be grown with R=Yb or Lu. Furthermore, EuAgSb{sub 2} could not be synthesized, likely due to the divalency of the Eu ion. For most of the RAgSb{sub 2} compounds, strong magnetic anisotropies are created by the crystal electric field splitting of the Hund's rule ground state. This splitting confines the local moments to lie in the basal plane (easy plane) for the majority of the members of the series. Exceptions to this include ErAgSb{sub 2} and TmAgSb{sub 2}, which have moments along the c-axis (easy axis) and CeAgSb{sub 2}, which at intermediate temperatures has an easy plane, but exchange coupling at low temperatures is anisotropic with an easy axis. Additional anisotropy is also observed within the basal plane of DyAgSb{sub 2}, where the moments are restricted to align along one of the {l_angle}110{r_angle} axes. Most of the RAgSb{sub 2} compounds

  10. Anisotropic Tribological Properties of Silicon Carbide

    NASA Technical Reports Server (NTRS)

    Miyoshi, K.; Buckley, D. H.

    1980-01-01

    The anisotropic friction, deformation and fracture behavior of single crystal silicon carbide surfaces were investigated in two categories. The categories were called adhesive and abrasive wear processes, respectively. In the adhesive wear process, the adhesion, friction and wear of silicon carbide were markedly dependent on crystallographic orientation. The force to reestablish the shearing fracture of adhesive bond at the interface between silicon carbide and metal was the lowest in the preferred orientation of silicon carbide slip system. The fracturing of silicon carbide occurred near the adhesive bond to metal and it was due to primary cleavages of both prismatic (10(-1)0) and basal (0001) planes.

  11. Optical Properties of Anisotropic Core-Shell Pyramidal Particles

    PubMed Central

    Sweeney, Christina M.; Hasan, Warefta; Nehl, Colleen L.; Odom, Teri W.

    2009-01-01

    This paper describes an approach to fabricate anisotropic core-shell particles by assembling dielectric beads within fabricated noble metal pyramidal structures. Particles with gold (Au) shells and different dielectric cores were generated, and their optical properties were characterized by single particle spectroscopy. Because of their unique geometry, these particles exhibit multiple plasmon resonances from visible to near-IR wavelengths. PMID:19290590

  12. Quantum transport of atomic matter waves in anisotropic two-dimensional and three-dimensional disorder

    NASA Astrophysics Data System (ADS)

    Piraud, M.; Pezzé, L.; Sanchez-Palencia, L.

    2013-07-01

    The macroscopic transport properties in a disordered potential, namely diffusion and weak/strong localization, closely depend on the microscopic and statistical properties of the disorder itself. This dependence is rich in counter-intuitive consequences. It can be particularly exploited in matter wave experiments, where the disordered potential can be tailored and controlled, and anisotropies are naturally present. In this work, we apply a perturbative microscopic transport theory and the self-consistent theory of Anderson localization to study the transport properties of ultracold atoms in anisotropic two-dimensional (2D) and three-dimensional (3D) speckle potentials. In particular, we discuss the anisotropy of single-scattering, diffusion and localization. We also calculate disorder-induced shift of the energy states and propose a method to include it, which amounts to renormalizing energies in the standard on-shell approximation. We show that the renormalization of energies strongly affects the prediction for the 3D localization threshold (mobility edge). We illustrate the theoretical findings with examples which are relevant for current matter wave experiments, where the disorder is created with laser speckle. This paper provides a guideline for future experiments aiming at the precise location of the 3D mobility edge and study of anisotropic diffusion and localization effects in 2D and 3D.

  13. Anisotropic behavior of quantum transport in graphene superlattices: Coexistence of ballistic conduction with Anderson insulating regime

    NASA Astrophysics Data System (ADS)

    Pedersen, Jesper Goor; Cummings, Aron W.; Roche, Stephan

    2014-04-01

    We report on the possibility to generate highly anisotropic quantum conductivity in disordered graphene-based superlattices. Our quantum simulations, based on an efficient real-space implementation of the Kubo-Greenwood formula, show that in disordered graphene superlattices the strength of multiple scattering phenomena can strongly depend on the transport measurement geometry. This eventually yields the coexistence of a ballistic waveguide and a highly resistive channel (Anderson insulator) in the same two-dimensional platform, evidenced by a σyy/σxx ratio varying over several orders of magnitude, and suggesting the possibility of building graphene electronic circuits based on the unique properties of chiral massless Dirac fermions in graphene.

  14. Oxygen-driven anisotropic transport in ultra-thin manganite films.

    PubMed

    Wang, Baomin; You, Lu; Ren, Peng; Yin, Xinmao; Peng, Yuan; Xia, Bin; Wang, Lan; Yu, Xiaojiang; Poh, Sock Mui; Yang, Ping; Yuan, Guoliang; Chen, Lang; Rusydi, Andrivo; Wang, Junling

    2013-01-01

    Transition metal oxides have a range of unique properties due to coupling of charge, spin, orbital and lattice degrees of freedom and nearly degenerate multiple ground states. These properties make them interesting for applications and for fundamental investigations. Here we report a new phase with abnormal transport anisotropy in La(0.7)Sr(0.3)MnO3 ultra-thin films under large tensile strain. This anisotropy is absent in films under smaller tensile strain or compressive strain. Furthermore, thickness and magnetic-field-dependent experiments suggest that the tensile-strain-induced two-dimensional character is crucial for the observed phenomena. X-ray absorption spectroscopy results indicate that this anisotropy is likely driven by O 2p orbital, which hybridizes with Mn 3d. Ab initio calculations confirm this result. Our results may help to understand the anisotropic transport behaviour observed in other systems.

  15. Identifying Heterogeneous Anisotropic Properties in Cerebral Aneurysms: A Pointwise Approach

    PubMed Central

    Zhao, Xuefeng; Raghavan, Madhavan L.; Lu, Jia

    2014-01-01

    The traditional approaches of estimating heterogeneous properties in a soft tissue structure using optimization based inverse methods often face difficulties because of the large number of unknowns to be simultaneously determined. This article proposes a new method for identifying the heterogeneous anisotropic nonlinear elastic properties in cerebral aneurysms. In this method, the local properties are determined directly from the pointwise stress-strain data, thus avoiding the need for simultaneously optimizing for the property values at all points/regions in the aneurysm. The stress distributions needed for a pointwise identification are computed using an inverse elastostatic method without invoking the material properties in question. This paradigm is tested numerically through simulated inflation tests on an image-based cerebral aneurysm sac. The wall tissue is modeled as an eight-ply laminate whose constitutive behavior is described by an anisotropic hyperelastic strain-energy function containing four parameters. The parameters are assumed to vary continuously in the sac. Deformed configurations generated from forward finite element analysis are taken as input to inversely establish the parameter distributions. The delineated and the assigned distributions are in excellent agreement. A forward verification is conducted by comparing the displacement solutions obtained from the delineated and the assigned material parameters at a different pressure. The deviations in nodal displacements are found to be within 0.2% in most part of the sac. The study highlights some distinct features of the proposed method, and demonstrates the feasibility of organ level identification of the distributive anisotropic nonlinear properties in cerebral aneurysms. PMID:20490886

  16. Anisotropic mechanical properties of graphene: a molecular dynamics study

    NASA Astrophysics Data System (ADS)

    Yu, Ming; Zeng, Anna; Zeng, Kevin

    2014-03-01

    The anisotropic mechanical properties of monolayer graphene with different shapes have been studied using an efficient quantum mechanics molecular dynamics scheme based on a semi-empirical Hamiltonian (refereed as SCED-LCAO) [PRB 74, 15540; PHYSE 42, 1]. We have found the anisotropic nature of the membrane stress. The stresses along the armchair direction are slightly stronger than that along the zigzag direction, showing strong direction selectivity. The graphene with the rectangular shape could sustain strong load (i . e ., 20%) in both armchair and zigzag directions. The graphene with the rhombus shape show large difference in the strain direction: it will quickly crack after 18 % of strain in armchair the direction, but slowly destroyed after 20% in the zigzag direction. The obtained 2D Young's modulus at infinitesimal strain and the third-order (effective nonlinear) elastic modulus are in good consistent with the experimental observation.

  17. Anisotropic linear elastic properties of fractal-like composites.

    PubMed

    Carpinteri, Alberto; Cornetti, Pietro; Pugno, Nicola; Sapora, Alberto

    2010-11-01

    In this work, the anisotropic linear elastic properties of two-phase composite materials, made up of square inclusions embedded in a matrix, are investigated. The inclusions present a fractal hierarchical distribution and are supposed to have the same Poisson's ratio as the matrix but a different Young's modulus. The effective elastic moduli of the medium are computed at each fractal iteration by coupling a position-space renormalization-group technique with a finite element analysis. The study allows to obtain and generalize some fundamental properties of fractal composite materials. PMID:21230552

  18. Anisotropic thermoelectric properties in layered complex nitrides with α-NaFeO2-type structure

    NASA Astrophysics Data System (ADS)

    Ohkubo, Isao; Mori, Takao

    2016-10-01

    Electronic structures and thermoelectric transport properties of α-NaFeO2-type d0-electron layered complex nitrides AMN2 (A = Sr or Na; M = Zr, Hf, Nb, Ta) were evaluated using density-functional theory and Boltzmann theory calculations. Despite the layered crystal structure, all materials had three-dimensional electronic structures. Sr(Zr, Hf)N2 exhibited isotropic electronic transport properties because of the contribution of the Sr 4d orbitals to the conduction band minimums (CBMs) in addition to that of the Zr 4d (Hf 5d) orbitals. Na(Nb,Ta)N2 showed weak anisotropic electronic transport properties due to the main contribution of the Nb 4d (Ta 5d) and N 2p orbitals to the CBMs and no contribution of the Na orbitals.

  19. Structural, anisotropic and electronic properties of C96 under pressure

    NASA Astrophysics Data System (ADS)

    Xing, Mengjiang; Li, Binhua; Yu, Zhengtao; Chen, Qi

    2016-01-01

    An investigation of the structural, elastic, electronic and anisotropic properties of C96 under high pressure has been calculated using first-principles calculations based on density functional theory, as implemented in the Cambridge Serial Total Energy Package code. At elevated pressures, the elastic constants and shear modulus, Young's modulus and Poisson's ratio for C96 increase with pressure increasing. The anisotropy studies of Young's modulus, shear modulus, Poisson's ratio, Zener anisotropy index, the universal elastic anisotropy index AU and hardness show that C96 exhibits a small anisotropy. The sound velocities, Debye temperature and band gap of C96 under high pressure are also calculated.

  20. Anisotropic thermal property of magnetically oriented carbon nanotube polymer composites

    NASA Astrophysics Data System (ADS)

    Li, Bin; Dong, Shuai; Wang, Caiping; Wang, Xiaojie; Fang, Jun

    2016-04-01

    This paper proposes a method for preparing multi-walled carbon nanotubea/polydimethylsiloxane (MWCNTs/PDMS) composites with enhanced thermal properties by using a high magnetic field (up to 10T). The MWCNT are oriented magnetically inside a silicone by in-situ polymerization method. The anisotropic structure would be expected to produce directional thermal conductivity. This study will provide a new approach to the development of anisotropic thermal-conductive polymer composites. Systematic studies with the preparation of silicone/graphene composites corresponding to their thermal and mechanical properties are carried out under various conditions: intensity of magnetic field, time, temperature, fillings. The effect of MWCNT/graphene content and preparation procedures on thermal conductivity of composites is investigated. Dynamic mechanical analysis (DMA) is used to reveal the mechanical properties of the composites in terms of the filling contents and magnetic field strength. The scanning electron microscope (SEM) is used to observe the micro-structure of the MWCNT composites. The alignment of MWCNTs in PDMS matrix is also studied by Raman spectroscopy. The thermal conductivity measurements show that the magnetically aligned CNT-composites feature high anisotropy in thermal conductivity.

  1. Anisotropic MRI contrast reveals enhanced ionic transport in plastic crystals.

    PubMed

    Romanenko, Konstantin; Jin, Liyu; Madsen, Louis A; Pringle, Jennifer M; O'Dell, Luke A; Forsyth, Maria

    2014-11-01

    Organic ionic plastic crystals (OIPCs) are attractive as solid-state electrolytes for electrochemical devices such as lithium-ion batteries and solar and fuel cells. OIPCs offer high ionic conductivity, nonflammability, and versatility of molecular design. Nevertheless, intrinsic ion transport behavior of OIPCs is not fully understood, and their measured properties depend heavily on thermal history. Solid-state magnetic resonance imaging experiments reveal a striking image contrast anisotropy sensitive to the orientation of grain boundaries in polycrystalline OIPCs. Probing triethyl(methyl)phosphonium bis(fluorosulfonyl)imide (P1222FSI) samples with different thermal history demonstrates vast variations in microcrystallite alignment. Upon slow cooling from the melt, microcrystallites exhibit a preferred orientation throughout the entire sample, leading to an order of magnitude increase in conductivity as probed using impedance spectroscopy. This investigation describes both a new conceptual window and a new characterization method for understanding polycrystalline domain structure and transport in plastic crystals and other solid-state conductors. PMID:25312993

  2. The anisotropic compressive mechanical properties of the rabbit patellar tendon.

    PubMed

    Williams, Lakiesha N; Elder, Steven H; Bouvard, J L; Horstemeyer, M F

    2008-01-01

    In this study, we examine the transverse and longitudinal compressive mechanical behavior of the rabbit patellar tendon. The anisotropic compressive properties are of interest, because compression occurs where the tendon attaches to bone and where the tendon wraps around bone leading to the development of fibro-cartilaginous matrices. We quantified the time dependent viscoelastic and anisotropic behavior of the tendon under compression. For both orientations, sections of patellar tendon were drawn from mature male white New Zealand rabbits in preparation for testing. The tendons were sequentially compressed to 40% strain at strain rates of 0.1, 1 and 10% strain(s) using a computer-controlled stepper motor driven device under physiological conditions. Following monotonic loading, the tendons were subjected to stress relaxation. The tendon equilibrium compressive modulus was quantified to be 19.49+/-11.46 kPa for the transverse direction and 1.11+/-0.57 kPa for the longitudinal direction. The compressive modulus at applied strain rates of 0.1, 1 and 10% strain(s) in the transverse orientation were 13.48+/-2.31, 18.24+/-4.58 and 20.90+/-8.60 kPa, respectively. The compressive modulus at applied strain rates of 0.1, 1 and 10% strain/s in the longitudinal orientation were 0.19+/-0.11, 1.27+/-1.38 and 3.26+/-3.49 kPa, respectively. The modulus values were almost significantly different for the examination of the effect of orientation on the equilibrium modulus (p=0.054). Monotonic loading of the tendon showed visual differences of the strain rate dependency; however, no significant difference was shown in the statistical analysis of the effect of strain rate on compressive modulus. The statistical analysis of the effect of orientation on compressive modulus showed a significant difference. The difference shown in the orientation analysis validated the anisotropic nature of the tendon. PMID:19065006

  3. Rectangular waveguide material characterization: anisotropic property extraction and measurement validation

    NASA Astrophysics Data System (ADS)

    Crowgey, Benjamin Reid

    for characterization of a sample filling the cross-section of a waveguide. Due to the rectangular nature of the waveguide, typically three different samples are manufactured from the same material in order to characterize the six complex material parameters. The second technique for measuring the electromagnetic properties of a biaxially anisotropic material sample uses a reduced-aperture waveguide sample holder designed to accommodate a cubical sample. All the tensor material parameters can then be determined by measuring the reflection and transmission coefficients of a single sample placed into several orientations. The parameters are obtained using a root-searching algorithm by comparing theoretically computed and measured reflection and transmission coefficients. The theoretical coefficients are determined using a mode matching technique. The first technique for characterizing the electromagnetic properties of gyromagnetic materials considers requires filling the cross-section of a waveguide. The material parameters are extracted from the measured reflection and transmission coefficients. Since the cross-sectional dimensions of waveguides become prohibitively large at low frequencies, and it is at these frequencies that the gyromagnetic properties are most pronounced, sufficiently large samples may not be available. Therefore, the second technique uses a reduced-aperture sample holder that does not require the sample to fill the entire cross section of the guide. The theoretical reflection and transmission coefficients for both methods are determined using a mode matching technique. A nonlinear least squares method is employed to extract the gyromagnetic material parameters. Finally, this dissertation introduces a waveguide standard that acts as a surrogate material with both electric and magnetic properties and is useful for verifying systems designed to characterize engineered materials using the NRW technique. A genetic algorithm is used to optimize the all

  4. Anisotropic Elastic Properties of Muscle-like Nematic Elastomers

    NASA Astrophysics Data System (ADS)

    Ratna, Banahalii; Thomseniii, Donald L.; Shenoy, Devanand; Srinivasan, Amritha; Keller, Patrick

    2001-03-01

    De Gennes suggested in 1997 that the liquid crystal elastomers are an excellent framework to mimic muscular action. We have prepared anisotropic freestanding films of nematic elastomers from laterally attached side-chain polymers that show muscle-like mechanical properties. The orientational order of the liquid crystal side groups imposes a conformational anisotropy in the polymer backbone. When the order parameter drops at the nematic-isotropic phase transition, there is a concomitant loss of order in the backbone which results in a contraction of the film in the direction of the director orientation. Dynamic mechanical data along directions parallel and perpendicular to the optic axis, show anisotropic stress-strain behavior. The film exhibits soft elasticity when strained in the perpendicular direction when the liquid crystal mesogens reorient without appreciable stress build up. Thermostrictive studies in the parallel direction show 40constriction at the nematic-isotropic phase transition. Isometric studies show that the elastic energy stored is purely entropic in origin and the elastomer acts like a spring with unusually large spring constant at the NI transition. The maximum stress measured is 300kPa. A strain rate of 5s-1 is estimated from shear relaxation studies.

  5. Spin-orbit interaction induced anisotropic property in interacting quantum wires.

    PubMed

    Cheng, Fang; Zhou, Guanghui; Chang, Kai

    2011-01-01

    : We investigate theoretically the ground state and transport property of electrons in interacting quantum wires (QWs) oriented along different crystallographic directions in (001) and (110) planes in the presence of the Rashba spin-orbit interaction (RSOI) and Dresselhaus SOI (DSOI). The electron ground state can cross over different phases, e.g., spin density wave, charge density wave, singlet superconductivity, and metamagnetism, by changing the strengths of the SOIs and the crystallographic orientation of the QW. The interplay between the SOIs and Coulomb interaction leads to the anisotropic dc transport property of QW which provides us a possible way to detect the strengths of the RSOI and DSOI.PACS numbers: 73.63.Nm, 71.10.Pm, 73.23.-b, 71.70.Ej. PMID:21711717

  6. Investigating the Effects of Anisotropic Mass Transport on Dendrite Growth in High Energy Density Lithium Batteries

    SciTech Connect

    Tan, Jinwang; Tartakovsky, Alexandre M.; Ferris, Kim F.; Ryan, Emily M.

    2016-01-01

    Dendrite formation on the electrode surface of high energy density lithium (Li) batteries causes safety problems and limits their applications. Suppressing dendrite growth could significantly improve Li battery performance. Dendrite growth and morphology is a function of the mixing in the electrolyte near the anode interface. Most research into dendrites in batteries focuses on dendrite formation in isotropic electrolytes (i.e., electrolytes with isotropic diffusion coefficient). In this work, an anisotropic diffusion reaction model is developed to study the anisotropic mixing effect on dendrite growth in Li batteries. The model uses a Lagrangian particle-based method to model dendrite growth in an anisotropic electrolyte solution. The model is verified by comparing the numerical simulation results with analytical solutions, and its accuracy is shown to be better than previous particle-based anisotropic diffusion models. Several parametric studies of dendrite growth in an anisotropic electrolyte are performed and the results demonstrate the effects of anisotropic transport on dendrite growth and morphology, and show the possible advantages of anisotropic electrolytes for dendrite suppression.

  7. Shape-Dependent Nonlinear Optical Properties of Anisotropic Gold Nanoparticles.

    PubMed

    Hua, Yi; Chandra, Kavita; Dam, Duncan Hieu M; Wiederrecht, Gary P; Odom, Teri W

    2015-12-17

    This Letter reports the shape-dependent third-order nonlinear optical properties of anisotropic gold nanoparticles. We characterized the nonlinear absorption coefficients of nanorods, nanostars, and nanoshells using femtosecond Z-scan measurements. By comparing nanoparticle solutions with a similar linear extinction at the laser excitation wavelength, we separated shape effects from that of the localized surface plasmon wavelength. We found that the nonlinear response depended on particle shape. Using pump-probe spectroscopy, we measured the ultrafast transient response of nanoparticles, which supported the strong saturable absorption observed in nanorods and weak nonlinear response in nanoshells. We found that the magnitude of saturable absorption as well as the ultrafast spectral responses of nanoparticles were affected by the linear absorption of the nanoparticles. PMID:26595327

  8. Momentum transport in strongly coupled anisotropic plasmas in the presence of strong magnetic fields

    NASA Astrophysics Data System (ADS)

    Finazzo, Stefano Ivo; Critelli, Renato; Rougemont, Romulo; Noronha, Jorge

    2016-09-01

    We present a holographic perspective on momentum transport in strongly coupled, anisotropic non-Abelian plasmas in the presence of strong magnetic fields. We compute the anisotropic heavy quark drag forces and Langevin diffusion coefficients and also the anisotropic shear viscosities for two different holographic models, namely, a top-down deformation of strongly coupled N =4 super-Yang-Mills theory triggered by an external Abelian magnetic field, and a bottom-up Einstein-Maxwell-dilaton (EMD) model which is able to provide a quantitative description of lattice QCD thermodynamics with (2 +1 ) flavors at both zero and nonzero magnetic fields. We find that, in general, energy loss and momentum diffusion through strongly coupled anisotropic plasmas are enhanced by a magnetic field being larger in transverse directions than in the direction parallel to the magnetic field. Moreover, the anisotropic shear viscosity coefficient is smaller in the direction of the magnetic field than in the plane perpendicular to the field, which indicates that strongly coupled anisotropic plasmas become closer to the perfect fluid limit along the magnetic field. We also present, in the context of the EMD model, holographic predictions for the entropy density and the crossover critical temperature in a wider region of the (T , B ) phase diagram that has not yet been covered by lattice simulations. Our results for the transport coefficients in the phenomenologically realistic magnetic EMD model could be readily used as inputs in numerical codes for magnetohydrodynamics.

  9. Local and nonlocal anisotropic transport in reversed shear magnetic fields: shearless Cantori and nondiffusive transport.

    PubMed

    Blazevski, Daniel; del-Castillo-Negrete, Diego

    2013-06-01

    A study of anisotropic heat transport in reversed shear (nonmonotonic q-profile) magnetic fields is presented. The approach is based on a recently proposed Lagrangian-Green's function method that allows an efficient and accurate integration of the parallel (i.e., along the magnetic field) heat transport equation. The magnetic field lines are described by a nontwist Hamiltonian system, known to exhibit separatrix reconnection and robust shearless (dq/dr=0) transport barriers. The changes in the magnetic field topology due to separatrix reconnection lead to bifurcations in the equilibrium temperature distribution. For perturbations of moderate amplitudes, magnetic chaos is restricted to bands flanking the shearless region. As a result, the temperature flattens in the chaotic bands and develops a very sharp radial gradient at the shearless region. For perturbations with larger amplitude, shearless Cantori (i.e., critical magnetic surfaces located at the minimum of the q profile) give rise to anomalous temperature relaxation involving widely different time scales. The first stage consists of the relatively fast flattening of the radial temperature profile in the chaotic bands with negligible flux across the shearless region that, for practical purposes, on a short time scale acts as an effective transport barrier despite the lack of magnetic flux surfaces. In the long-time scale, heat starts to flow across the shearless region, albeit at a comparatively low rate. The transport of a narrow temperature pulse centered at the reversed shear region exhibits weak self-similar scaling with non-Gaussian scaling functions indicating that transport at this scale cannot be modeled as a diffusive process with a constant diffusivity. Evidence of nonlocal effective radial transport is provided by the existence of regions with nonzero heat flux and zero temperature gradient. Parametric flux-gradient plots exhibit multivalued loops that question the applicability of the Fourier

  10. Black Arsenic-Phosphorus: Layered Anisotropic Infrared Semiconductors with Highly Tunable Compositions and Properties

    NASA Astrophysics Data System (ADS)

    Liu, Bilu; Zhou, Chongwu

    2D layered materials with diverse properties have attracted significant interest in the past decade. The layered materials discovered so far have covered a wide, yet discontinuous electromagnetic spectral range from semimetallic graphene, insulating boron nitride, to semiconductors with bandgaps from middle infrared to visible light. Here, we introduce new layered semiconductors, black arsenic-phosphorus (b-AsP), with highly tunable chemical compositions and electronic and optical properties. Transport and infrared absorption studies demonstrate the semiconducting nature of b-AsP with tunable bandgaps, ranging from 0.3 to 0.15 eV. These bandgaps fall into long-wavelength infrared (LWIR) regime and cannot be readily reached by other layered materials. Moreover, polarization-resolved infrared absorption and Raman studies reveal in-plane anisotropic properties of b-AsP. This family of layered b-AsP materials extend the electromagnetic spectra covered by 2D layered materials to the LWIR regime, and may find unique applications for future all 2D layered material based devices. Ref. Liu, B., et al., Black Arsenic-Phosphorus: Layered Anisotropic Infrared Semiconductors with Highly Tunable Compositions and Properties. Adv. Mater., 2015, 27, 4423-4429.

  11. Matter wave transport and Anderson localization in anisotropic three-dimensional disorder

    NASA Astrophysics Data System (ADS)

    Piraud, Marie; Pezzé, Luca; Sanchez-Palencia, Laurent

    2012-09-01

    We study quantum transport of matter waves in anisotropic three-dimensional disorder. First, we show that structured correlations can induce rich effects, such as anisotropic suppression of the white-noise limit and inversion of the transport anisotropy. Second, we show that the localization threshold (mobility edge) is strongly affected by a disorder-induced shift of the energy states, which we calculate. Our work is directly relevant to ultracold-matter waves in optical disorder, and implications on recent experiments are discussed. It also offers scope for further studies of anisotropy effects in other systems with controlled disorder, where counterparts of the discussed effects can be expected.

  12. Nanostructured SnS with inherent anisotropic optical properties for high photoactivity

    NASA Astrophysics Data System (ADS)

    Patel, Malkeshkumar; Chavda, Arvind; Mukhopadhyay, Indrajit; Kim, Joondong; Ray, Abhijit

    2016-01-01

    In view of the worldwide energy challenge in the 21st century, the technology of semiconductor-based photoelectrochemical (PEC) water splitting has received considerable attention as an alternative approach for solar energy harvesting and storage. Two-dimensional (2D) structures such as nanosheets have the potential to tap the solar energy by unlocking the functional properties at the nanoscale. Tin(ii) sulfide is a fascinating solar energy material due to its anisotropic material properties. In this manuscript, we report on exploiting the 2D structure modulated optical properties of nanocrystalline SnS thin film synthesized by chemical spray pyrolysis using ambient transport in the harvesting of solar energy. We obtained the nanostructured SnS with well-preserved dimensions and morphologies with one step processing. The work demonstrates that the intrinsically ordered SnS nanostructure on FTO coated glass can tap the incident radiation in an efficient manner. The structure-property relationship to explain the photo-response in nanocrystalline-SnS is verified experimentally and theoretically. The novel design scheme for antireflection coating along with the anisotropic properties of SnS is conceived for realizing a PEC cell. The developed PEC cell consists of a SnS photoanode which shows considerably high photocurrent density of 7 mA cm-2 with aqueous media under AM 1.5G, 100 mW cm-2 exposure with notably stable operation. Electrochemical impedance spectroscopy revealed that a non-ideal capacitive behavior as well as drift assisted transport across the solid-state interface is responsible for such a high photo-current density in the nanocrystalline-SnS photoanode.In view of the worldwide energy challenge in the 21st century, the technology of semiconductor-based photoelectrochemical (PEC) water splitting has received considerable attention as an alternative approach for solar energy harvesting and storage. Two-dimensional (2D) structures such as nanosheets have the

  13. Anisotropic electronic, mechanical, and optical properties of monolayer WTe2

    NASA Astrophysics Data System (ADS)

    Torun, E.; Sahin, H.; Cahangirov, S.; Rubio, A.; Peeters, F. M.

    2016-02-01

    Using first-principles calculations, we investigate the electronic, mechanical, and optical properties of monolayer WTe2. Atomic structure and ground state properties of monolayer WTe2 (Td phase) are anisotropic which are in contrast to similar monolayer crystals of transition metal dichalcogenides, such as MoS2, WS2, MoSe2, WSe2, and MoTe2, which crystallize in the H-phase. We find that the Poisson ratio and the in-plane stiffness is direction dependent due to the symmetry breaking induced by the dimerization of the W atoms along one of the lattice directions of the compound. Since the semimetallic behavior of the Td phase originates from this W-W interaction (along the a crystallographic direction), tensile strain along the dimer direction leads to a semimetal to semiconductor transition after 1% strain. By solving the Bethe-Salpeter equation on top of single shot G0W0 calculations, we predict that the absorption spectrum of Td-WTe2 monolayer is strongly direction dependent and tunable by tensile strain.

  14. Nanostructured SnS with inherent anisotropic optical properties for high photoactivity.

    PubMed

    Patel, Malkeshkumar; Chavda, Arvind; Mukhopadhyay, Indrajit; Kim, Joondong; Ray, Abhijit

    2016-01-28

    In view of the worldwide energy challenge in the 21(st) century, the technology of semiconductor-based photoelectrochemical (PEC) water splitting has received considerable attention as an alternative approach for solar energy harvesting and storage. Two-dimensional (2D) structures such as nanosheets have the potential to tap the solar energy by unlocking the functional properties at the nanoscale. Tin(ii) sulfide is a fascinating solar energy material due to its anisotropic material properties. In this manuscript, we report on exploiting the 2D structure modulated optical properties of nanocrystalline SnS thin film synthesized by chemical spray pyrolysis using ambient transport in the harvesting of solar energy. We obtained the nanostructured SnS with well-preserved dimensions and morphologies with one step processing. The work demonstrates that the intrinsically ordered SnS nanostructure on FTO coated glass can tap the incident radiation in an efficient manner. The structure-property relationship to explain the photo-response in nanocrystalline-SnS is verified experimentally and theoretically. The novel design scheme for antireflection coating along with the anisotropic properties of SnS is conceived for realizing a PEC cell. The developed PEC cell consists of a SnS photoanode which shows considerably high photocurrent density of 7 mA cm(-2) with aqueous media under AM 1.5G, 100 mW cm(-2) exposure with notably stable operation. Electrochemical impedance spectroscopy revealed that a non-ideal capacitive behavior as well as drift assisted transport across the solid-state interface is responsible for such a high photo-current density in the nanocrystalline-SnS photoanode. PMID:26745636

  15. Modeling anisotropic flow and heat transport by using mimetic finite differences

    NASA Astrophysics Data System (ADS)

    Chen, Tao; Clauser, Christoph; Marquart, Gabriele; Willbrand, Karen; Büsing, Henrik

    2016-08-01

    Modeling anisotropic flow in porous or fractured rock often assumes that the permeability tensor is diagonal, which means that its principle directions are always aligned with the coordinate axes. However, the permeability of a heterogeneous anisotropic medium usually is a full tensor. For overcoming this shortcoming, we use the mimetic finite difference method (mFD) for discretizing the flow equation in a hydrothermal reservoir simulation code, SHEMAT-Suite, which couples this equation with the heat transport equation. We verify SHEMAT-Suite-mFD against analytical solutions of pumping tests, using both diagonal and full permeability tensors. We compare results from three benchmarks for testing the capability of SHEMAT-Suite-mFD to handle anisotropic flow in porous and fractured media. The benchmarks include coupled flow and heat transport problems, three-dimensional problems and flow through a fractured porous medium with full equivalent permeability tensor. It shows firstly that the mimetic finite difference method can model anisotropic flow both in porous and in fractured media accurately and its results are better than those obtained by the multi-point flux approximation method in highly anisotropic models, secondly that the asymmetric permeability tensor can be included and leads to improved results compared the symmetric permeability tensor in the equivalent fracture models, and thirdly that the method can be easily implemented in existing finite volume or finite difference codes, which has been demonstrated successfully for SHEMAT-Suite.

  16. Time-independent one-speed neutron transport equation with anisotropic scattering in absorbing media

    SciTech Connect

    Hangelbroek, R. J.

    1980-06-01

    This report treats the time-independent, one-speed neutron transport equation with anisotropic scattering in absorbing media. For nuclear gain operators existence and uniqueness of solutions to the half-space and finite-slab problems are proved in L/sub 2/-space. The formulas needed for explicit calculations are derived by the use of perturbation theory techniques.

  17. Anisotropic vanadium dioxide sculptured thin films with superior thermochromic properties

    PubMed Central

    Sun, Yaoming; Xiao, Xiudi; Xu, Gang; Dong, Guoping; Chai, Guanqi; Zhang, Hua; Liu, Pengyi; Zhu, Hanmin; Zhan, Yongjun

    2013-01-01

    VO2 (M) STF through reduction of V2O5 STF was prepared. The results illustrate that V2O5 STF can be successfully obtained by oblique angle thermal evaporation technique. After annealing at 550°C/3 min, the V2O5 STF deposited at 85° can be easily transformed into VO2 STF with slanted columnar structure and superior thermochromic properties. After deposition SiO2 antireflective layer, Tlum of VO2 STF is enhanced 26% and ΔTsol increases 60% compared with that of normal VO2 thin films. Due to the anisotropic microstructure of VO2 STF, angular selectivity transmission of VO2 STF is observed and the solar modulation ability is further improved from 7.2% to 8.7% when light is along columnar direction. Moreover, the phase transition temperature of VO2 STF can be depressed into 54.5°C without doping. Considering the oblique incidence of sunlight on windows, VO2 STF is more beneficial for practical application as smart windows compared with normal homogenous VO2 thin films. PMID:24067743

  18. Anisotropic properties of the enamel organic extracellular matrix.

    PubMed

    do Espírito Santo, Alexandre R; Novaes, Pedro D; Line, Sérgio R P

    2006-05-01

    Enamel biosynthesis is initiated by the secretion, processing, and self-assembly of a complex mixture of proteins. This supramolecular ensemble controls the nucleation of the crystalline mineral phase. The detection of anisotropic properties by polarizing microscopy has been extensively used to detect macromolecular organizations in ordinary histological sections. The aim of this work was to study the birefringence of enamel organic matrix during the development of rat molar and incisor teeth. Incisor and molar teeth of rats were fixed in 2% paraformaldehyde/0.5% glutaraldehyde in 0.2 M phosphate-buffered saline (PBS), pH 7.2, and decalcified in 5% nitric acid/4% formaldehyde. After paraffin embedding, 5-microm-thick sections were obtained, treated with xylene, and hydrated. Form birefringence curves were obtained after measuring optical retardations in imbibing media, with different refractive indices. Our observations showed that enamel organic matrix of rat incisor and molar teeth is strongly birefringent, presenting an ordered supramolecular structure. The birefringence starts during the early secretion phase and disappears at the maturation phase. The analysis of enamel organic matrix birefringence may be used to detect the effects of genetic and environmental factors on the supramolecular orientation of enamel matrix and their effects on the structure of mature enamel.

  19. Anisotropic vanadium dioxide sculptured thin films with superior thermochromic properties.

    PubMed

    Sun, Yaoming; Xiao, Xiudi; Xu, Gang; Dong, Guoping; Chai, Guanqi; Zhang, Hua; Liu, Pengyi; Zhu, Hanmin; Zhan, Yongjun

    2013-01-01

    VO2 (M) STF through reduction of V2O5 STF was prepared. The results illustrate that V2O5 STF can be successfully obtained by oblique angle thermal evaporation technique. After annealing at 550 °C/3 min, the V2O5 STF deposited at 85° can be easily transformed into VO2 STF with slanted columnar structure and superior thermochromic properties. After deposition SiO2 antireflective layer, Tlum of VO2 STF is enhanced 26% and ΔTsol increases 60% compared with that of normal VO2 thin films. Due to the anisotropic microstructure of VO2 STF, angular selectivity transmission of VO2 STF is observed and the solar modulation ability is further improved from 7.2% to 8.7% when light is along columnar direction. Moreover, the phase transition temperature of VO2 STF can be depressed into 54.5 °C without doping. Considering the oblique incidence of sunlight on windows, VO2 STF is more beneficial for practical application as smart windows compared with normal homogenous VO2 thin films. PMID:24067743

  20. Effects of anisotropic thermal conduction on wind properties in hot accretion flow

    NASA Astrophysics Data System (ADS)

    Bu, De-Fu; Wu, Mao-Chun; Yuan, Ye-Fei

    2016-06-01

    Previous works have clearly shown the existence of winds from black hole hot accretion flow and investigated their detailed properties. In extremely low accretion rate systems, the collisional mean-free path of electrons is large compared with the length-scale of the system, thus thermal conduction is dynamically important. When the magnetic field is present, the thermal conduction is anisotropic and energy transport is along magnetic field lines. In this paper, we study the effects of anisotropic thermal conduction on the wind production in hot accretion flows by performing two-dimensional magnetohydrodynamic simulations. We find that thermal conduction has only moderate effects on the mass flux of wind. But the energy flux of wind can be increased by a factor of ˜10 due to the increase of wind velocity when thermal conduction is included. The increase of wind velocity is because of the increase of driving forces (e.g. gas pressure gradient force and centrifugal force) when thermal conduction is included. This result demonstrates that thermal conduction plays an important role in determining the properties of wind.

  1. Applying nonlinear diffusion acceleration to the neutron transport k-Eigenvalue problem with anisotropic scattering

    DOE PAGES

    Willert, Jeffrey; Park, H.; Taitano, William

    2015-11-01

    High-order/low-order (or moment-based acceleration) algorithms have been used to significantly accelerate the solution to the neutron transport k-eigenvalue problem over the past several years. Recently, the nonlinear diffusion acceleration algorithm has been extended to solve fixed-source problems with anisotropic scattering sources. In this paper, we demonstrate that we can extend this algorithm to k-eigenvalue problems in which the scattering source is anisotropic and a significant acceleration can be achieved. Lastly, we demonstrate that the low-order, diffusion-like eigenvalue problem can be solved efficiently using a technique known as nonlinear elimination.

  2. Applying nonlinear diffusion acceleration to the neutron transport k-Eigenvalue problem with anisotropic scattering

    SciTech Connect

    Willert, Jeffrey; Park, H.; Taitano, William

    2015-10-12

    High-order/low-order (or moment-based acceleration) algorithms have been used to significantly accelerate the solution to the neutron transport k-eigenvalue problem over the past several years. Recently, the nonlinear diffusion acceleration algorithm has been extended to solve fixed-source problems with anisotropic scattering sources. In this paper, we demonstrate that we can extend this algorithm to k-eigenvalue problems in which the scattering source is anisotropic and a significant acceleration can be achieved. Lastly, we demonstrate that the low-order, diffusion-like eigenvalue problem can be solved efficiently using a technique known as nonlinear elimination.

  3. Spatial frequency analysis of anisotropic drug transport in tumor samples

    PubMed Central

    Russell, Stewart; Samkoe, Kimberley S.; Gunn, Jason R.; Hoopes, P. Jack; Nguyen, Thienan A.; Russell, Milo J.; Alfano, Robert R.; Pogue, Brian W.

    2014-01-01

    Abstract. Directional Fourier spatial frequency analysis was used on standard histological sections to identify salient directional bias in the spatial frequencies of stromal and epithelial patterns within tumor tissue. This directional bias is shown to be correlated to the pathway of reduced fluorescent tracer transport. Optical images of tumor specimens contain a complex distribution of randomly oriented aperiodic features used for neoplastic grading that varies with tumor type, size, and morphology. The internal organization of these patterns in frequency space is shown to provide a precise fingerprint of the extracellular matrix complexity, which is well known to be related to the movement of drugs and nanoparticles into the parenchyma, thereby identifying the characteristic spatial frequencies of regions that inhibit drug transport. The innovative computational methodology and tissue validation techniques presented here provide a tool for future investigation of drug and particle transport in tumor tissues, and could potentially be used a priori to identify barriers to transport, and to analyze real-time monitoring of transport with respect to therapeutic intervention. PMID:24395585

  4. Spin transport in a one-dimensional anisotropic Heisenberg model.

    PubMed

    Znidarič, Marko

    2011-06-01

    We analytically and numerically study spin transport in a one-dimensional Heisenberg model in linear-response regime at infinite temperature. It is shown that as the anisotropy parameter Δ is varied spin transport changes from ballistic for Δ<1 to anomalous at the isotropic point Δ=1, to diffusive for finite Δ>1, ending up as a perfect isolator in the Ising limit of infinite Δ. Using perturbation theory for large Δ a quantitative prediction is made for the dependence of diffusion constant on Δ. PMID:21702588

  5. Anisotropic normal-state properties of the MgB2 superconductor

    NASA Astrophysics Data System (ADS)

    de la Mora, Pablo; Castro, Miguel; Tavizon, Gustavo

    2005-02-01

    Based on the experimentally-found existence of two superconducting gaps in MgB2 (one gap associated to the boron σ-states and the other to the boron π-states), the different contributions to the transport properties, electrical conductivity and Hall coefficient were studied using the full potential-linearized augmented plane wave method and the generalized gradient approximation. Four different relaxation times were needed to adjust the electrical conductivity and Hall coefficient to experimental values. MgB2 doping was analysed in the rigid band approximation; this permitted a detailed study of the partial substitution of magnesium for aluminium (Mg1-xAlxB2). Other substitutions such as AB2 (A = Be, Sc, Zr, Nb and Ta) are also discussed. The MgB2 σ-bands (boron σ-states), which are associated to the large gap, are very anisotropic at EF, while the π bands have very little anisotropic character. In Mg1-xAlxB2, Tc diminishes with Al content; the other compounds are not superconductors or have a low Tc. In this work it was found that with electron doping, such as Al substitution, the σ-band conductivity decreases and the corresponding bands become less anisotropic. The σ-band contribution for BeB2 and ScB2 at EF is very small and the anisotropy is much lower. For Zr, Nb and Ta there are no σ-bands at EF. These results give a clear connection between superconductivity and the character of the σ-band, band conductivity, and band anisotropy. This gives a plausible explanation for the diminution of Tc with different doping of MgB2.

  6. Probing anisotropic heat transport using time-domain thermoreflectance with offset laser spots.

    PubMed

    Feser, Joseph P; Cahill, David G

    2012-10-01

    An analytic solution is derived for the time-domain thermoreflectance signal that occurs using non-concentric pump and probe beams on multilayer anisotropic materials. When in-plane heat transport is negligible, the experimental signal is the same as for the concentric case. However, for samples where in-plane heat diffusion distances are comparable to the spot size, the signal is sensitive to in-plane heat transport. This sensitivity to in-plane transport can be exploited to measure the in-plane thermal conductivity. Examples with experimental data are given for thin-film Al and the in-plane thermal conductivity of pyrolytic graphite.

  7. Anisotropic Pressure, Transport, and Shielding of Magnetic Perturbations

    SciTech Connect

    H.E. Mynick and A.H. Boozer

    2008-05-23

    We compute the effect on a tokamak of applying a nonaxisymmetric magnetic perturbation δΒ. An equilibrium with scalar pressure p yields zero net radial current, and therefore zero torque. Thus, the usual approach, which assumes scalar pressure, is not self-consistent, and masks the close connection which exists between that radial current and the in-surface currents, which provide shielding or amplification of δΒ. Here, we analytically compute the pressure anisoptropy, anisoptropy, pll, p⊥ ≠ p, and from this, both the radial and in-surface currents. The surface-average of the radial current recovers earlier expressions for ripple transport, while the in-surface currents provide an expression for the amount of self-consistent shielding the plasma provides.

  8. An Algorithm for the Transport of Anisotropic Neutrons

    NASA Technical Reports Server (NTRS)

    Tweed, J.

    2005-01-01

    One major obstacle to human space exploration is the possible limitations imposed by the adverse effect of long-term exposure to the space environment. Even before human spaceflight began, the potentially brief exposure of astronauts to the very intense random solar particle events (SPE) were of great concern. A new challenge appears in deep space exploration from exposure to the low-intensity heavy-ion flux of the galactic cosmic rays (GCR) since the missions are of long duration and the accumulated GCR exposures can be high. Because cancer induction rates increase behind low to rather large thicknesses of aluminum shielding, according to available biological data on mammalian exposures to GCR like ions, the shield requirements for a Mars mission are prohibitively expensive in terms of mission launch costs. Therefore, a critical issue in the Human Exploration and Development of Space enterprise is cost effective mitigation of risk associated with ionizing radiation exposure. In order to estimate astronaut risk to GCR exposure and associated cancer risks and health hazards, it is necessary to do shield material studies. To determine an optimum radiation shield material it is necessary to understand nuclear interaction processes such as fragmentation and secondary particle production which is a function of energy dependent cross sections. This requires knowledge of material transmission characteristics either through laboratory testing or improved theoretical modeling. Here ion beam transport theory is of importance in that testing of materials in the laboratory environment generated by particle accelerators is a necessary step in materials development and evaluation for space use. The approximations used in solving the Boltzmann transport equation for the space setting are often not sufficient for laboratory work and those issues are a major emphasis of the present work.

  9. A Tensorial Connectivity–Tortuosity Concept to Describe the Unsaturated Hydraulic Properties of Anisotropic Soils

    SciTech Connect

    Zhang, Z. F.; Ward, Anderson L.; Gee, Glendon W.

    2003-08-15

    Natural soils are often anisotropic and the anisotropy in unsaturated hydraulic conductivity is saturation-dependent. A tensorial connectivity-tortuosity (TCT) concept was proposed to describe the unsaturated soil hydraulic property. The TCT concept states that soil pore connectivity and/or tortuosity are anisotropic and can be described using a tensor. The anisotropic hydraulic properties can then be described by extending the existing hydraulic functions, e.g., the Burdine (1953) and the Mualem (1976) models in such a way that the connectivity-tortuosity coefficient (L) is a tensor. The TCT concept was tested using synthetic Miller-similar soils with four levels of heterogeneity and four levels of anisotropy. The results show that the soil water retention curves were independent of soil anisotropy but dependent on soil heterogeneity. The TCT model can accurately describe the unsaturated hydraulic functions of anisotropic soils. The value of L is a function of both soil heterogeneity and anisotropy.

  10. Layered Black Phosphorus: Strongly Anisotropic Magnetic, Electronic, and Electron-Transfer Properties.

    PubMed

    Sofer, Zdeněk; Sedmidubský, David; Huber, Štěpán; Luxa, Jan; Bouša, Daniel; Boothroyd, Chris; Pumera, Martin

    2016-03-01

    Layered elemental materials, such as black phosphorus, exhibit unique properties originating from their highly anisotropic layered structure. The results presented herein demonstrate an anomalous anisotropy for the electrical, magnetic, and electrochemical properties of black phosphorus. It is shown that heterogeneous electron transfer from black phosphorus to outer- and inner-sphere molecular probes is highly anisotropic. The electron-transfer rates differ at the basal and edge planes. These unusual properties were interpreted by means of calculations, manifesting the metallic character of the edge planes as compared to the semiconducting properties of the basal plane. This indicates that black phosphorus belongs to a group of materials known as topological insulators. Consequently, these effects render the magnetic properties highly anisotropic, as both diamagnetic and paramagnetic behavior can be observed depending on the orientation in the magnetic field.

  11. Effective Transport Properties

    NASA Astrophysics Data System (ADS)

    Mauri, Roberto

    In this chapter we study a particular case of multiphase systems, namely two-phase materials in which one of the phases is randomly dispersed in the other, so that the composite can be viewed on a macroscale as an effective continuum, with well defined properties. In general, the theoretical determination of the parameter for an effective medium requires, as a rule, the solution of a corresponding transport problem at the microscale, which takes into account the morphology of the system and its evolution. As the mathematical problem is well-posed on a microscale, this can be accomplished using, for example, the multiple scale approach shown in Chap. 11 ; however, the task requires massive computations and is therefore difficult to implement from the practical standpoint. Here, instead, we focus on a deterministic approach to the problem, where the geometry and spatial configuration of the particles comprising the included phase are given and the solution to the microscale problem is therefore sought analytically. As examples, we study the effective thermal conductivity of solid reinforced materials (Sect. 10.1), the effective viscosity of non-colloidal suspensions (Sect. 10.2), the effective permeability of porous materials (10.3) and the effective self- and gradient diffusivities of colloidal suspensions (Sect. 10.4). Then, in Sect. 10.5, an alternative dynamic definition of the transport coefficients is considered, which can also serve as a basis to determine the effective properties of complex systems.

  12. Anisotropic Ginzburg-Landau scaling of H c2 and transport properties of 112-type Ca0.8La0.2Fe0.98Co0.02As2 single crystal

    NASA Astrophysics Data System (ADS)

    Xing, Xiangzhuo; Zhou, Wei; Zhou, Nan; Yuan, Feifei; Pan, Yongqiang; Zhao, Haijun; Xu, Xiaofeng; Shi, Zhixiang

    2016-05-01

    High-quality single crystal Ca0.8La0.2Fe0.98Co0.02As2 has been successfully synthesized using a self-flux method. The magnetization measurement reveals a second peak effect and high critical current density {J}c exceeding 2 × 106 A cm-2 at 5 K (self-field). The upper critical field anisotropy was systematically studied by measuring the electrical resistivity under various magnetic fields and angles. The angle-dependent magnetoresistance, by choosing an appropriate anisotropy parameter within the framework of the anisotropic Ginzburg-Landau (AGL) theory, can be scaled onto one single curve. In the normal state, the negative Hall coefficient shows strong but nonmonotonic T-dependence through a minimum at ˜175 K. Moreover, it is shown that the magnetoresistance apparently violates the semiclassical Kohler’s rule below ˜175 K but can be well scaled by the Hall angle instead. This suggests either a change of carriers with T or exotic anisotropic scattering in the system.

  13. Cellulose-Templated Graphene Monoliths with Anisotropic Mechanical, Thermal, and Electrical Properties.

    PubMed

    Zhang, Rujing; Chen, Qiao; Zhen, Zhen; Jiang, Xin; Zhong, Minlin; Zhu, Hongwei

    2015-09-01

    Assembling particular building blocks into composites with diverse targeted structures has attracted considerable interest for understanding its new properties and expanding the potential applications. Anisotropic organization is considered as a frequently used targeted architecture and possesses many peculiar properties because of its unusual shapes. Here, we show that anisotropic graphene monoliths (AGMs), three-dimensional architectures of well-aligned graphene sheets obtained by a dip-coating method using cellulose acetate fibers as templates show thermal-insulating, fire-retardant, and anisotropic properties. They exhibit a feature of higher mechanical strength and thermal/electrical conductivities in the axial direction than in the radial direction. Elastic polymer resins are then introduced into the pores of the AGMs to form conductive and flexible composites. The composites, as AGMs, retain the unique anisotropic properties, revealing opposite resistance change under compressions in different directions. The outstanding anisotropic properties of AGMs make them possible to be applied in the fields of thermal insulation, integrated circuits, and electromechanical devices.

  14. Imaging Properties of a Line Source Using General Anisotropic Metamaterials

    NASA Astrophysics Data System (ADS)

    Guan-Xia, Yu; Tie-Jun, Cui

    2009-01-01

    We investigate the general dispersion relationship of anisotropic media theoretically. According to the dispersion relationship, we study the perfect imaging conditions by a slab of anisotropies negative refractive index media in details, Numerical results have proved our predictions for TE waves. For slab of gyrotroptic media, if a gyrotroptic parameter is small enough, the gyroteoptic slab can become nearly perfect lens using the perfect conditions of TE and TM mixed modes. We have shown that perfect imaging cannot occur in the case of larger gyrotroptic parameter.

  15. Anisotropic gold nanoparticles: synthesis, properties, applications, and toxicity.

    PubMed

    Li, Na; Zhao, Pengxiang; Astruc, Didier

    2014-02-10

    Anisotropic gold nanoparticles (AuNPs) have attracted the interest of scientists for over a century, but research in this field has considerably accelerated since 2000 with the synthesis of numerous 1D, 2D, and 3D shapes as well as hollow AuNP structures. The anisotropy of these nonspherical, hollow, and nanoshell AuNP structures is the source of the plasmon absorption in the visible region as well as in the near-infrared (NIR) region. This NIR absorption is especially sensitive to the AuNP shape and medium and can be shifted towards the part of the NIR region in which living tissue shows minimum absorption. This has led to crucial applications in medical diagnostics and therapy ("theranostics"), especially with Au nanoshells, nanorods, hollow nanospheres, and nanocubes. In addition, Au nanowires (AuNWs) can be synthesized with longitudinal dimensions of several tens of micrometers and can serve as plasmon waveguides for sophisticated optical devices. The application of anisotropic AuNPs has rapidly spread to optical, biomedical, and catalytic areas. In this Review, a brief historical survey is given, followed by a summary of the synthetic modes, variety of shapes, applications, and toxicity issues of this fast-growing class of nanomaterials. PMID:24421264

  16. Semi-implicit anisotropic cosmic ray transport on an unstructured moving mesh

    NASA Astrophysics Data System (ADS)

    Pakmor, Rüdiger; Pfrommer, Christoph; Simpson, Christine M.; Kannan, Rahul; Springel, Volker

    2016-11-01

    In the interstellar medium of galaxies and the intracluster gas of galaxy clusters, the charged particles making up cosmic rays are moving almost exclusively along (but not across) magnetic field lines. The resulting anisotropic transport of cosmic rays in the form of diffusion or streaming not only affects the gas dynamics but also rearranges the magnetic fields themselves. The coupled dynamics of magnetic fields and cosmic rays can thus impact the formation and evolution of galaxies and the thermal evolution of galaxy clusters in critical ways. Numerically studying these effects requires solvers for anisotropic diffusion that are accurate, efficient, and robust, requirements that have proved difficult to be satisfied in practice. Here, we present an anisotropic diffusion solver on an unstructured moving mesh that is conservative, does not violate the entropy condition, allows for semi-implicit time integration with individual timesteps, and only requires solving a single linear system of equations per timestep. We apply our new scheme to a large number of test problems and show that it works as well or better than previous implementations. Finally, we demonstrate for a numerically demanding simulation of the formation of an isolated disc galaxy that our local time-stepping scheme reproduces the results obtained with global time-stepping at a fraction of the computational cost.

  17. Molecular anisotropic magnetoresistance

    NASA Astrophysics Data System (ADS)

    Otte, Fabian; Heinze, Stefan; Mokrousov, Yuriy

    2015-12-01

    Using density functional theory calculations, we demonstrate that the effect of anisotropic magnetoresistance (AMR) can be enhanced by orders of magnitude with respect to conventional bulk ferromagnets in junctions containing molecules sandwiched between ferromagnetic leads. We study ballistic transport in metal-benzene complexes contacted by 3 d transition-metal wires. We show that a gigantic AMR can arise from spin-orbit coupling effects in the leads, drastically enhanced by orbital-symmetry filtering properties of the molecules. We further discuss how this molecular anisotropic magnetoresistance (MAMR) can be tuned by the proper choice of materials and their electronic properties.

  18. An asymptotic-preserving Lagrangian algorithm for the time-dependent anisotropic heat transport equation

    SciTech Connect

    Chacon, Luis; del-Castillo-Negrete, Diego; Hauck, Cory D.

    2014-09-01

    We propose a Lagrangian numerical algorithm for a time-dependent, anisotropic temperature transport equation in magnetized plasmas in the large guide field regime. The approach is based on an analytical integral formal solution of the parallel (i.e., along the magnetic field) transport equation with sources, and it is able to accommodate both local and non-local parallel heat flux closures. The numerical implementation is based on an operator-split formulation, with two straightforward steps: a perpendicular transport step (including sources), and a Lagrangian (field-line integral) parallel transport step. Algorithmically, the first step is amenable to the use of modern iterative methods, while the second step has a fixed cost per degree of freedom (and is therefore scalable). Accuracy-wise, the approach is free from the numerical pollution introduced by the discrete parallel transport term when the perpendicular to parallel transport coefficient ratio X /X becomes arbitrarily small, and is shown to capture the correct limiting solution when ε = X⊥L2/X1L2 → 0 (with L∥∙ L⊥ , the parallel and perpendicular diffusion length scales, respectively). Therefore, the approach is asymptotic-preserving. We demonstrate the capabilities of the scheme with several numerical experiments with varying magnetic field complexity in two dimensions, including the case of transport across a magnetic island.

  19. Synthesis and optical properties of anisotropic metal nanoparticles.

    PubMed

    Hao, Encai; Schatz, George C; Hupp, Joseph T

    2004-07-01

    In this paper we overview our recent studies of anisotropic noble metal (e.g. gold and silver) nanoparticles, in which a combination of theory and experiment has been used to elucidate the extinction spectra of the particles, as well as information related to their surface enhanced Raman spectroscopy. We used wet-chemical methods to generate several structurally well-defined nanostructures other than solid spheres, including silver nanodisks and triangular nanoprisms, and gold nanoshells and multipods. When solid spheres are transformed into one of these shapes, the surface plasmon resonances in these particles are strongly affected, typically red-shifting and even splitting into distinctive dipole and quadrupole plasmon modes. In parallel, we have developed computational electrodynamics methods based on the discrete dipole approximation (DDA) method to determine the origins of these intriguing optical features. This has resulted in considerable insight concerning the variation of plasmon wavelength with nanoparticle size, shape and dielectric environment, as well as the use of these particles for optical sensing applications. PMID:15617376

  20. Multimodel analysis of anisotropic diffusive tracer-gas transport in a deep arid unsaturated zone

    USGS Publications Warehouse

    Green, Christopher T.; Walvoord, Michelle Ann; Andraski, Brian J.; Striegl, Rob; Stonestrom, David A.

    2015-01-01

    Gas transport in the unsaturated zone affects contaminant flux and remediation, interpretation of groundwater travel times from atmospheric tracers, and mass budgets of environmentally important gases. Although unsaturated zone transport of gases is commonly treated as dominated by diffusion, the characteristics of transport in deep layered sediments remain uncertain. In this study, we use a multimodel approach to analyze results of a gas-tracer (SF6) test to clarify characteristics of gas transport in deep unsaturated alluvium. Thirty-five separate models with distinct diffusivity structures were calibrated to the tracer-test data and were compared on the basis of Akaike Information Criteria estimates of posterior model probability. Models included analytical and numerical solutions. Analytical models provided estimates of bulk-scale apparent diffusivities at the scale of tens of meters. Numerical models provided information on local-scale diffusivities and feasible lithological features producing the observed tracer breakthrough curves. The combined approaches indicate significant anisotropy of bulk-scale diffusivity, likely associated with high-diffusivity layers. Both approaches indicated that diffusivities in some intervals were greater than expected from standard models relating porosity to diffusivity. High apparent diffusivities and anisotropic diffusivity structures were consistent with previous observations at the study site of rapid lateral transport and limited vertical spreading of gas-phase contaminants. Additional processes such as advective oscillations may be involved. These results indicate that gases in deep, layered unsaturated zone sediments can spread laterally more quickly, and produce higher peak concentrations, than predicted by homogeneous, isotropic diffusion models.

  1. Anisotropic magnetic properties of the KMo4O6

    NASA Astrophysics Data System (ADS)

    Andrade, M.; Maffei, M. L.; Dos Santos, C. A. M.; Ferreira, B.; Sartori, A. F.

    2012-02-01

    Electrical resistivity measurements in the tetragonal KMo4O6 single crystals show a metal-insulator transition (MIT) near 100K. Magnetization measurements as a function of temperature show no evidence of magnetic ordering at this MIT [1]. Single crystals of KMo4O6 were obtained by electrolysis of a melt with a molar ratio of K2MoO4:MoO3 = 6:1. The process were carried out at 930 C with a current of 20-25mA for 52h in argon atmosphere. After that, electrodes were removed from the melt alloying the crystals to cool down to room temperature rapidly. Scanning Electron Microscopy (SEM) showed that the black single crystals were grown on the platinum cathode. Typical dimensions of the single crystals are 1x0.2x0.2mm^3. X-ray diffractometry confirmed that the single crystals have KMo4O6 tetragonal crystalline structure with space group P4. Magnetization measurements were performed parallel and perpendicular to the c-axis from 2 to 300K. The results show anisotropic behavior between both directions. Furthermore, the temperature independence of the magnetization at high temperature and the upturn at low temperature are observed in agreement with previous results [1]. MxH curves measured at several temperatures show nonlinear behavior and a small magnetic ordering. The magnetic ordering seems to be related to the MIT near 100K. This material is based upon support by FAPESP (2009/14524-6 and 2009/54001-6) and CNPq/NSF (490182/2009-7). M. Andrade is CAPES fellow and C.A.M. dos Santos is CNPq fellow. [4pt] [1] K. V. Ramanujachary et al., J. Sol. State Chem.102 (1993) 69.

  2. Evolution, Interaction, and Intrinsic Properties of Dislocations in Intermetallics: Anisotropic 3D Dislocation Dynamics Approach

    SciTech Connect

    Chen, Qian

    2008-01-01

    The generation, motion, and interaction of dislocations play key roles during the plastic deformation process of crystalline solids. 3D Dislocation Dynamics has been employed as a mesoscale simulation algorithm to investigate the collective and cooperative behavior of dislocations. Most current research on 3D Dislocation Dynamics is based on the solutions available in the framework of classical isotropic elasticity. However, due to some degree of elastic anisotropy in almost all crystalline solids, it is very necessary to extend 3D Dislocation Dynamics into anisotropic elasticity. In this study, first, the details of efficient and accurate incorporation of the fully anisotropic elasticity into 3D discrete Dislocation Dynamics by numerically evaluating the derivatives of Green's functions are described. Then the intrinsic properties of perfect dislocations, including their stability, their core properties and disassociation characteristics, in newly discovered rare earth-based intermetallics and in conventional intermetallics are investigated, within the framework of fully anisotropic elasticity supplemented with the atomistic information obtained from the ab initio calculations. Moreover, the evolution and interaction of dislocations in these intermetallics as well as the role of solute segregation are presented by utilizing fully anisotropic 3D dislocation dynamics. The results from this work clearly indicate the role and the importance of elastic anisotropy on the evolution of dislocation microstructures, the overall ductility and the hardening behavior in these systems.

  3. Spin transport in the frustrated anisotropic two-dimensional ferromagnet in the square lattice

    NASA Astrophysics Data System (ADS)

    Lima, L. S.

    2016-08-01

    We use the SU(3) Schwinger boson formalism together with the Kubo theory of the linear response to study the spin transport in the two-dimensional S=1 frustrated anisotropic Heisenberg ferromagnet in a square lattice with easy-plane single-ion anisotropy and considering the second-neighbor interaction in the diagonal and the third-neighbor interaction (J1-J2-J3 model). The AC spin conductivity σreg(ω) is determined for several values of the critical single-ion parameter D, and the frustration parameters J2 and J3. We have calculated the dynamic structure factor too, S(q → , ω), for this model and obtained a behaviour exponentially decreasing for the damping Γq with the decreasing of q = | q → | towards q → 0.

  4. The effect of anisotropic heat transport on magnetic islands in 3-D configurations

    SciTech Connect

    Schlutt, M. G.; Hegna, C. C.

    2012-08-15

    An analytic theory of nonlinear pressure-induced magnetic island formation using a boundary layer analysis is presented. This theory extends previous work by including the effects of finite parallel heat transport and is applicable to general three dimensional magnetic configurations. In this work, particular attention is paid to the role of finite parallel heat conduction in the context of pressure-induced island physics. It is found that localized currents that require self-consistent deformation of the pressure profile, such as resistive interchange and bootstrap currents, are attenuated by finite parallel heat conduction when the magnetic islands are sufficiently small. However, these anisotropic effects do not change saturated island widths caused by Pfirsch-Schlueter current effects. Implications for finite pressure-induced island healing are discussed.

  5. Picosecond Acoustic Measurement of Anisotropic Properties of Thin Films

    SciTech Connect

    Perton, M.; Rossignol, C.; Chigarev, N.; Audoin, B.

    2007-03-21

    Properties of thin metallic films have been studied extensively by means of laser-picosecond ultrasonics. Generation of longitudinal and shear waves via thermoelastic mechanism and large source has been only demonstrated for waves vectors along the normal to the interface. However, such measurements cannot provide complete information about elastic properties of films. As it has been already shown for nanosecond ultrasonics, the knowledge of group or phase velocities in several directions for sources with small lateral size allows determining the stiffness tensor coefficients of a sample. The experimental set-up was prepared to obtain the thinnest size for the source to achieve acoustic diffraction. The identification of the stiffness tensor components, based on the inversion of the bulk waves phase velocities, is applied to signals simulated and experimentally recorded for a material with hexagonal properties. First estimation of stiffness tensor coefficients for thin metallic film 2.1 {mu}m has been performed.

  6. Transport properties of uranium dioxide

    SciTech Connect

    Fink, J.K.; Chasanov, M.G.; Leibowitz, L.

    1981-04-01

    In order to provide reliable and consistent data on the thermophysical properties of reactor materials for reactor safety studies, this revision is prepared for the transport properties of the uranium dioxide portion of the fuel property section of the report Properties for LMFBR Safety Analysis. Since the original report was issued in 1976, measurements of thermal diffusivity and emissivity have been made. In addition to incorporating this new data, new equations have been derived to fit the thermal diffusivity and thermal conductivity data. This analysis is consistent with the analysis of enthalpy and heat capacity. A new form of equation for the emissivity is also given. The present report comprises the transport part of the UO/sub 2/ portion of section A of the planned complete revision of Properties for LMFBR Safety Analysis.

  7. Anisotropic Thermoelectric Properties of MnSiγ Film Prepared on R-Sapphire

    NASA Astrophysics Data System (ADS)

    Takeda, Komei; Kikuchi, Yuta; Hayashi, Kei; Miyazaki, Yuzuru; Kajitani, Tsuyoshi

    2012-05-01

    We attempted to obtain an epitaxial MnSiγ (γ˜1.7) film on R-sapphire, i.e., Sapphire(1102), substrate by pulsed laser deposition. We prepared MnSiγ films by changing the substrate temperature gradient. It was found that the MnSiγ film, whose temperature gradient in a substrate is parallel to Sapphire[1120], could be grown epitaxially on the substrate. The epitaxial relationship was MnSiγ(1000)[0010] ∥ Sapphire(1102)[1120]. The thermoelectric properties of the epitaxial MnSiγ film were different in the a- and c-axes, reflecting the anisotropic MnSiγ crystal structure. The anisotropic thermoelectric properties are discussed in terms of the electronic structure.

  8. Interventional nerve visualization via the intrinsic anisotropic optical properties of the nerves

    NASA Astrophysics Data System (ADS)

    Chin, Kenneth W.; Meijerink, Andries; Chin, Patrick T. K.

    2015-07-01

    We present an optical concept to visualize nerves during surgical interventions. The concept relies on the anisotropic optical properties of the nerves which allows for specific switching of the optical reflection by the nervous tissue. Using a low magnification polarized imaging system we are able to visualize the on and off switching of the optical reflection of the nervous tissue, enabling a non-invasive nerve specific real-time nerve visualization during surgery.

  9. Optical Properties of Anisotropic Polycrystalline Ce+3 activated LSO

    PubMed Central

    Roy, Sudesna; Lingertat, Helmut; Brecher, Charles; Sarin, Vinod

    2012-01-01

    Polycrystalline cerium activated lutetium oxyorthosilicate (LSO:Ce) is highly desirable technique to make cost effective and highly reproducible radiation detectors for medical imaging. In this article methods to improve transparency in polycrystalline LSO:Ce were explored. Two commercially available powders of different particulate sizes (average particle size 30 and 1500 nm) were evaluated for producing dense LSO:Ce by pressure assisted densification routes, such as hot pressing and hot isostatic pressing. Consolidation of the powders at optimum conditions produced three polycrystalline ceramics with average grain sizes of 500 nm, 700 and 2000 nm. Microstructural evolution studies showed that for grain sizes larger than 1 µm, anisotropy in thermal expansion coefficient and elastic constants of LSO, resulted in residual stress at grain boundaries and triple points that led to intragranular microcracking. However, reducing the grain size below 1 µm effectively avoids microcracking, leading to more favorable optical properties. The optical scattering profiles generated by a Stover scatterometer, measured by a He-Ne laser of wavelength 633 nm, showed that by reducing the grain size from 2 µm to 500 nm, the in-line transmission increased by a factor of 103. Although these values were encouraging and showed that small changes in grain size could increase transmission by almost 3 orders of magnitude, even smaller grain sizes need to be achieved in order to get truly transparent material with high in-line transmission. PMID:23505329

  10. Simultaneous inversion for anisotropic and structural crustal properties by stacking of radial and transverse receiver functions

    NASA Astrophysics Data System (ADS)

    Link, Frederik; Rümpker, Georg; Kaviani, Ayoub; Singh, Manvendra

    2016-04-01

    The well-known H-κ-stacking method of Zhu and Kanamori (2000) has developed into a standard tool to infer the thickness of the crust, H, and the average P to S-wave velocity ratio, κ. The stacking approach allows for the largely automated analysis of teleseismic waveforms recorded in the distance range between 30° and 95° . Here, we present an extension of the method to include the inversion for anisotropic crustal properties. For a single anisotropic crustal layer, this involves the computation of delay times and amplitudes for 20 P-to-S converted phases and their crustal reverberations, instead of (up to) five phases in the isotropic case (Kaviani and Rümpker, 2015). The delay times and amplitudes exhibit a complex dependency on slowness and backazimuth. They can be calculated semi-analytically from the eigenvalues and eigenvectors of the system matrix, as defined by Woodhouse (1974). A comparison of the calculated delay times and amplitudes with those obtained by similar methods (Frederiksen and Bostock, 2000) shows a very good agreement between the results. In our approach, the crust exhibits hexagonal anisotropy with a horizontal symmetry axis, such that the anisotropic properties are defined by two parameters: the orientation of the symmetry axis w.r.t. North, φ, and the percentage of anisotropy, a. The inversion, thus, involves a grid search in a 4-dimensional parameter space (H, κ, φ, a) and the stacking of both radial and transverse receiver functions. Known input parameters are the average P-wave velocity of the crust, and the slowness vector (as given by the event-receiver configuration and a global 1D-velocity model). The computations are performed by the new software package AnStack which is based on MATLAB. Synthetic test show that the extended anisotropic stacking has advantages compared to the conventional H-κ stacking as it may allow for inversions at even higher noise levels. We further test for the effect of the azimuthal distribution of

  11. Transport Properties for Combustion Modeling

    SciTech Connect

    Brown, N.J.; Bastein, L.; Price, P.N.

    2010-02-19

    This review examines current approximations and approaches that underlie the evaluation of transport properties for combustion modeling applications. Discussed in the review are: the intermolecular potential and its descriptive molecular parameters; various approaches to evaluating collision integrals; supporting data required for the evaluation of transport properties; commonly used computer programs for predicting transport properties; the quality of experimental measurements and their importance for validating or rejecting approximations to property estimation; the interpretation of corresponding states; combination rules that yield pair molecular potential parameters for unlike species from like species parameters; and mixture approximations. The insensitivity of transport properties to intermolecular forces is noted, especially the non-uniqueness of the supporting potential parameters. Viscosity experiments of pure substances and binary mixtures measured post 1970 are used to evaluate a number of approximations; the intermediate temperature range 1 < T* < 10, where T* is kT/{var_epsilon}, is emphasized since this is where rich data sets are available. When suitable potential parameters are used, errors in transport property predictions for pure substances and binary mixtures are less than 5 %, when they are calculated using the approaches of Kee et al.; Mason, Kestin, and Uribe; Paul and Warnatz; or Ern and Giovangigli. Recommendations stemming from the review include (1) revisiting the supporting data required by the various computational approaches, and updating the data sets with accurate potential parameters, dipole moments, and polarizabilities; (2) characterizing the range of parameter space over which the fit to experimental data is good, rather than the current practice of reporting only the parameter set that best fits the data; (3) looking for improved combining rules, since existing rules were found to under-predict the viscosity in most cases; (4

  12. Anisotropic superconducting properties of nanowires at the LaAlO3/SrTiO3 (110) interface

    NASA Astrophysics Data System (ADS)

    Huang, Mengchen; Annadi, Anil; Gopinadhan, Kalon; Venkatesan, Thirumalai; Ariando, Ariando; Cheng, Guanglei; Irvin, Patrick; Levy, Jeremy

    Quasi-1D nanowires are created using conductive AFM (c-AFM) lithography at the LaAlO3/SrTiO3 (110) interface along the (001) and (1 1 0) crystallographic directions. The superconducting properties of nanowires were investigated under transport measurements with respect to the crystallography and orbital hierarchy. We observe anisotropic superconductivity where the upper critical magnetic field along the (001) and (1 1 0) directions are markedly different with a superconducting dome that is shifted for the two orientations as a function of gate voltages. The superconducting dome shift can be explained by anisotropic band structures along the two different directions combined with the Lifshitz transition. We gratefully acknowledge support for this work from NSF DMR-1124131 and DMR-1104191 (JL), AFOSR FA9550-12-1-0057 and FA9550-12-1-0268 (JL), ONR N00014-15-1-2847 (JL), CRP Award NRF-CRP 8-2011-06 and 10-2012-02 (TV, A) and NUS FRC R-144-000-346-11 (TV. A).

  13. Transport properties of ceramic composites

    SciTech Connect

    Starr, T.L.; Hablutzel, N.

    1996-08-01

    Instrumentation and procedures have been completed for measurement of gas permeability and mass diffusivity of fiber preforms and porous materials. Results are reported for composites reinforced with Nicalon fiber in cloth lay-up and 3-D weave and with Nextel fiber in multi-layer braid. Measured permeability values range from near 100 to less than 0.1 darcies. Mass diffusivity is reported as a structure factor relating the diffusion through the porous material to that in free space. This measure is independent of the diffusing species and depends only on the pore structure of the material. Measurements are compared to predictions of a node-bond model for gas transport. Model parameters adjusted to match measured transport properties relate to physical microstructure features of the different architectures. Combination of this transport model with the CVI process model offers a predictive method to evaluate the densification behavior of various fiber preforms.

  14. Anisotropic physical properties of myocardium characterized by ultrasonic measurements of backscatter, attenuation, and velocity

    NASA Astrophysics Data System (ADS)

    Baldwin, Steven L.

    The goal of elucidating the physical mechanisms underlying the propagation of ultrasonic waves in anisotropic soft tissue such as myocardium has posed an interesting and largely unsolved problem in the field of physics for the past 30 years. In part because of the vast complexity of the system being studied, progress towards understanding and modeling the mechanisms that underlie observed acoustic parameters may first require the guidance of careful experiment. Knowledge of the causes of observed ultrasonic properties in soft tissue including attenuation, speed of sound, and backscatter, and how those properties are altered with specific pathophysiologies, may lead to new noninvasive approaches to the diagnosis of disease. The primary aim of this Dissertation is to contribute to an understanding of the physics that underlies the mechanisms responsible for the observed interaction of ultrasound with myocardium. To this end, through-transmission and backscatter measurements were performed by varying acoustic properties as a function of angle of insonification relative to the predominant myofiber direction and by altering the material properties of myocardium by increased protein cross-linking induced by chemical fixation as an extreme form of changes that may occur in certain pathologies such as diabetes. Techniques to estimate acoustic parameters from backscatter were broadened and challenges to implementing these techniques in vivo were addressed. Provided that specific challenges identified in this Dissertation can be overcome, techniques to estimate attenuation from ultrasonic backscatter show promise as a means to investigate the physical interaction of ultrasound with anisotropic biological media in vivo. This Dissertation represents a step towards understanding the physics of the interaction of ultrasonic waves with anisotropic biological media.

  15. Observation of an Even-odd Anisotropic Transport in High Landau Levels

    NASA Astrophysics Data System (ADS)

    Liu, Guangtong; Yang, Changli; Wang, Qin; Zhu, Yuying; Pang, Yuan; Fan, Jie; Jing, Xiunian; Ji, Zhongqing; Lu, Li; Du, Rui-Rui; Pfeiffer, Loren; West, Ken; Insititute of Physics, Chinese Academy of Sciences Team; International CenterQuantum Materials, Peking University, Beijing 100871, China Collaboration; Department of Electrical Engineering, Princeton University, Princeton, New Jersey 08544, USA Collaboration

    Magnetotransport experiments (including tilt fields) were performed on ultrahigh mobility L-shaped Hall-bar samples of GaAs/AlGaAs quantum wells. The low-temperature longitudinal resistance Rxx data demonstrate that a striking even-odd anisotropic transport exists only along the [110] direction at half filling in N >= 2 high Landau levels. Although the origin for the peculiar even-odd anisotropy remains unclear, we propose that the coupling strength between electrons within the same Landau level and between the neighboring two Landau levels should be considered in future studies. The tilt field data show that the in-plane field can suppress the formation of both bubble and stripe phases. The work at IOP was supported by the National Basic Research Program of China under the Grant No. 2014CB920904 and 2011CB921702. The work at Princeton University was funded by the Gordon and Betty Moore Foundation through the EPiQS initiative Grant GBMF4420.

  16. Anisotropic Effective Mass, Optical Property, and Enhanced Band Gap in BN/Phosphorene/BN Heterostructures.

    PubMed

    Hu, Tao; Hong, Jisang

    2015-10-28

    Phosphorene is receiving great research interests because of its peculiar physical properties. Nonetheless, the phosphorus has a trouble of degradation due to oxidation. Hereby, we propose that the electrical and optical anisotropic properties can be preserved by encapsulating into hexagonal boron nitride (h-BN). We found that the h-BN contributed to enhancing the band gap of the phosphorene layer. Comparing the band gap of the pristine phosphorene layer, the band gap of the phosphorene/BN(1ML) system was enhanced by 0.15 eV. It was further enhanced by 0.31 eV in the BN(1ML)/phosphorene/BN(1ML) trilayer structure. However, the band gap was not further enhanced when we increased the thickness of the h-BN layers even up to 4 MLs. Interestingly, the anisotropic effective mass and optical property were still preserved in BN/phosphorene/BN heterostructures. Overall, we predict that the capping of phosphorene by the h-BN layers can be an excellent solution to protect the intrinsic properties of the phosphorene.

  17. Transport properties in the atmosphere of Jupiter

    NASA Technical Reports Server (NTRS)

    Biolsi, L., Jr.

    1979-01-01

    Activities reported include: (1) testing of the computer program used to obtain transport properties for the Hulburt-Hirschfelder potential; (2) calculation of transport properties for the C2-C interaction; (3) preliminary calculations for the C2-C2 interaction; (4) calculation of transport properties for the C2H-He interaction; (5) consideration of the effect of inelastic collisions on the transport properties; and (6) the use of the Hulburt-Hirschfelder potential to model ion-atom interactions.

  18. Anisotropic dielectric properties of two-dimensional matrix in pseudo-spin ferroelectric system

    NASA Astrophysics Data System (ADS)

    Kim, Se-Hun

    2016-10-01

    The anisotropic dielectric properties of a two-dimensional (2D) ferroelectric system were studied using the statistical calculation of the pseudo-spin Ising Hamiltonian model. It is necessary to delay the time for measurements of the observable and the independence of the new spin configuration under Monte Carlo sampling, in which the thermal equilibrium state depends on the temperature and size of the system. The autocorrelation time constants of the normalized relaxation function were determined by taking temperature and 2D lattice size into account. We discuss the dielectric constants of a two-dimensional ferroelectric system by using the Metropolis method in view of the Slater-Takagi defect energies.

  19. Rotational properties of dipolar Bose-Einstein condensates confined in anisotropic harmonic potentials

    SciTech Connect

    Malet, F.; Reimann, S. M.; Kristensen, T.; Kavoulakis, G. M.

    2011-03-15

    We study the rotational properties of a dipolar Bose-Einstein condensate confined in a quasi-two-dimensional anisotropic trap for an arbitrary orientation of the dipoles with respect to their plane of motion. Within the mean-field approximation, we find that the lowest-energy state of the system depends strongly on the relative strength between the dipolar and the contact interactions, as well as on the size and the orientation of the dipoles and the size and the orientation of the deformation of the trapping potential.

  20. Landau levels and magneto-transport property of monolayer phosphorene

    PubMed Central

    Zhou, X. Y.; Zhang, R.; Sun, J. P.; Zou, Y. L.; Zhang, D.; Lou, W. K.; Cheng, F.; Zhou, G. H.; Zhai, F.; Chang, Kai

    2015-01-01

    We investigate theoretically the Landau levels (LLs) and magneto-transport properties of phosphorene under a perpendicular magnetic field within the framework of the effective k·p Hamiltonian and tight-binding (TB) model. At low field regime, we find that the LLs linearly depend both on the LL index n and magnetic field B, which is similar with that of conventional semiconductor two-dimensional electron gas. The Landau splittings of conduction and valence band are different and the wavefunctions corresponding to the LLs are strongly anisotropic due to the different anisotropic effective masses. An analytical expression for the LLs in low energy regime is obtained via solving the decoupled Hamiltonian, which agrees well with the numerical calculations. At high magnetic regime, a self-similar Hofstadter butterfly (HB) spectrum is obtained by using the TB model. The HB spectrum is consistent with the LL fan calculated from the effective k·p theory in a wide regime of magnetic fields. We find the LLs of phosphorene nanoribbon depend strongly on the ribbon orientation due to the anisotropic hopping parameters. The Hall and the longitudinal conductances (resistances) clearly reveal the structure of LLs. PMID:26159856

  1. Anisotropic magnetic properties and giant magnetocaloric effect of single-crystal PrSi

    NASA Astrophysics Data System (ADS)

    Das, Pranab Kumar; Bhattacharyya, Amitava; Kulkarni, Ruta; Dhar, S. K.; Thamizhavel, A.

    2014-04-01

    A single crystal of PrSi was grown by the Czochralski method in a tetra-arc furnace. Powder x-ray diffraction of the as-grown crystal revealed that PrSi crystallizes in an FeB-type structure with space group Pnma (No. 62). The anisotropic magnetic properties were investigated by means of magnetic susceptibility, isothermal magnetization, electrical transport, and heat capacity measurements. Magnetic susceptibility data clearly indicate the ferromagnetic transition in PrSi with a TC of 52 K. The relative easy axis of magnetization was found to be the [010] direction. Heat capacity data confirm the bulk nature of the transition at 52 K and exhibit a huge anomaly at the transition. A sharp rise in the low-temperature heat capacity has been observed (below 5 K) which is attributed to the 141Pr nuclear Schottky heat capacity arising from the hyperfine field of the Pr moment. The estimated Pr magnetic moment 2.88 μB/Pr from the hyperfine splitting is in agreement with the saturation magnetization value obtained from the magnetization data measured at 2 K. From the crystal electric field analysis of the magnetic susceptibility, magnetization, and heat capacity data it is found that the degenerate J =4 Hund's rule derived state of the Pr3+ ion splits into nine singlets with an overall splitting of 284 K, the first excited singlet state separated by just 9 K from the ground state. The magnetic ordering in PrGe appears to be due to the exchange-generated admixture of low-lying crystal field levels. The magnetocaloric effect (MCE) has been investigated from magnetization data along all three principal crystallographic directions. The large magnetic entropy change, -ΔSM=22.2 J/kg K, and the relative cooling power, RCP = 460 J/kg, characteristic of the giant magnetocaloric effect are achieved near the transition temperature (TC = 52 K) for H = 70 kOe along [010]. Furthermore, the PrSi single crystal exhibits a giant MCE anisotropy.

  2. Effects of nanofiber on the electrical properties of anisotropic conductive adhesives (ACAs).

    PubMed

    Suk, Kyoung-Lim; Chung, Chang-Kyu; Paik, Kyung-Wook

    2013-01-01

    The effects of nanofiber on the electrical properties of anisotropic conductive films (ACFs) were investigated from the perspectives of the joint and insulation resistances. To obtain stable electrical properties for fine-pitch chip-on-film (COF) packages, two kinds of nanofiber ACFs were demonstrated: (1) polystyrene (PS) and polyacrylonitrile (PAN) nanofiber ACFs, which were formed by laminating ACFs on the top and bottom sides of PS and PAN nanofibers, and (2) PAN nanofiber coupled with conductive particle (PAN/Cp nanofiber) ACF, which was made by laminating non conductive films (NCFs) on both sides of a PAN/Cp nanofiber. The effects of the nanofiber thickness, melting, and structure on the electrical properties of the nanofiber ACFs were analyzed. Among the two different nanofiber ACFs, the PAN/Cp nanofiber ACF showed the most stable joint resistance (below 4 mOmega) and insulation resistance (above 10(8) Omega (between 7 microm bump space) due to the thin insulation layer.

  3. Stability of grain boundary texture during isothermal grain growth in UO2 considering anisotropic grain boundary properties

    NASA Astrophysics Data System (ADS)

    Hallberg, Håkan; Zhu, Yaochan

    2015-10-01

    In the present study, mesoscale simulations of grain growth in UO2 are performed using a 2D level set representation of the polycrystal grain boundary network, employed in a finite element setting. Anisotropic grain boundary properties are considered by evaluating how grain boundary energy and mobility varies with local grain boundary character. This is achieved by considering different formulations of the anisotropy of grain boundary properties, for example in terms of coincidence site lattice (CSL) correspondence. Such modeling approaches allow tracing of the stability of a number of characteristic low-Σ boundaries in the material during grain growth. The present simulations indicate that anisotropic grain boundary properties have negligible influence on the grain growth rate. However, considering the evolution of grain boundary character distribution and the grain size distribution, it is found that neglecting anisotropic boundary properties will strongly bias predictions obtained from numerical simulations.

  4. Features of the electric-field distribution in anisotropic semiconductor wafers in a transverse magnetic field

    SciTech Connect

    Filippov, V. V.; Bormontov, E. N.

    2013-07-15

    A macroscopic model of the Hall effects and magnetoresistance in anisotropic semiconductor wafers is developed. The results obtained by solving the electrodynamic boundary problem allow the potential and eddy currents in anisotropic semiconductors to be calculated at different current-contact locations, depending on the parameters of the sample material's anisotropy. The results of this study are of great practical importance for investigating the physical properties of anisotropic semiconductors and simulating the electron-transport phenomena in devices based on anisotropic semiconductors.

  5. Anisotropic mechanical properties of hexagonal SiC sheet: a molecular dynamics study

    NASA Astrophysics Data System (ADS)

    Yu, Ming; Liu, Emily; Zhang, Congyan

    2015-03-01

    The anisotropic mechanical properties of hexagonal SiC sheet have been studied using an efficient quantum mechanics molecular dynamics scheme based on a robust semi-empirical Hamiltonian (refereed as SCED-LCAO) [PRB 74, 15540; PHYSE 42, 1]. It was found that the SiC sheet could sustain the heavy load up to about 20 %. In particular, it was found that the SiC sheet also shows large difference in the strain direction. It will quickly crack after 20 % of strain in armchair the direction, but it will be slowly destroyed after 30% in the zigzag direction, indicating the anisotropic nature of the mechanical properties of the SiC sheet. The nominal and 2D membrane stresses will be analyzed, from where we will obtain the 2D Young's modulus at infinitesimal strain and the third-order (effective nonlinear) elastic modulus for the SiC sheet. The detail results and discussions will be reported in the presentation.

  6. Vertically Aligned Nanoplate Particles Directed by Block Copolymer Domains for Anisotropic Properties

    NASA Astrophysics Data System (ADS)

    Krook, Nadia; Meth, Jeffrey; Murray, Christopher; Riggleman, Robert; Composto, Russell

    During common processing methods, anisotropic fillers in polymer nanocomposites align in the direction of flow, parallel to the surfaces, thus enhancing properties in the plane of the substrate. This research aims to create thin film nanocomposites with perpendicularly aligned anisotropic particles to improve properties in the out-of-plane direction. The demonstrated work explores vertical orientation of rare-earth fluoride nanoplates in lamellar-forming poly(styrene- b-methyl methacrylate) to establish a platform that controls the alignment of any planar particle. Currently, gadolinium fluoride (GdF3) rhombus nanoplates with the longest and shortest diagonal dimensions of ~30 nm and ~25 nm, respectively, have been specially synthesized with the potential to intercalate the block copolymer (BCP) domains. By employing a ternary brush blend layer to neutralize silicon substrates to both BCP domains, vertical lamellae orientation has been enabled with an optimum film thickness of ~110 nm. The GdF3 surfaces are chemically modified to drive the plates to a specific BCP domain. After surface modification, the dispersion of GdF3 in homopolymer will first be shown followed by morphology results from integrating GdF3 into the BCP using scanning and transmission electron microscopy.

  7. Magneto-transport properties in layered manganite crystals

    SciTech Connect

    Kimura, T.; Tomioka, Y.; Okuda, T.; Kuwahara, H.; Asamitsu, A.; Tokura, Y.

    1998-12-31

    Anisotropic charge transport and magnetic properties have been investigated for single crystals of the layered manganite, La{sub 2{minus}2x}Sr{sub 1+2x}Mn{sub 2}O{sub 7} (0.3 {le} x {le} 0.5). Remarkable variations in the magnetic structure as well as in the charge-transport properties are observed with changing doping-level x. A crystal with x = 0.3 behaves like a 2-dimensional ferromagnetic metal in the temperature region between {approximately} 90 K and {approximately} 270 K, and shows the interplane tunneling magnetoresistance at lower temperatures. These characteristic charge-transport properties are attributed to the interplane magnetic coupling between the adjacent MnO{sub 2} bilayers, and are strongly affected by the application of pressure as well as low magnetic fields through the change in magnetic structure. With increase of the carrier concentration toward x = 0.5, the charge-ordered phase is stabilized and dominates the charge transport and magnetic properties.

  8. Influence of dilution in the spin transport in the quantum anisotropic two-dimensional Heisenberg antiferromagnet

    NASA Astrophysics Data System (ADS)

    Lima, L. S.

    2016-08-01

    We study the influence of the site disorder in the long range order and in the spin transport in the two-dimensional Heisenberg antiferromagnet with ion-single anisotropy, in the square lattice in T=0 using the SU(3) Schwinger boson theory. We analyze these properties in the regime of Bose-Einstein condensation, where the bosons tz are condensed: = < tz† > = t. In particular, we discuss the influence of the site disorder in the spin transport of this model and in the critical properties, where Dc separates Néel's phase, D Dc, in the spin conductivity. We find that the behavior of the long-range order for D

  9. Anisotropic thermal transport in Weyl semimetal TaAs: a first principles calculation.

    PubMed

    Ouyang, Tao; Xiao, Huaping; Tang, Chao; Hu, Ming; Zhong, Jianxin

    2016-06-22

    A fundamental understanding of the phonon transport property is crucial to predict the thermal management performance in micro/nano-electronic devices. By combining first principle calculations and Boltzmann phonon transport equation, we investigate thermal transport in TaAs-a typical Weyl semimetal. The lattice thermal conductivity of TaAs at room temperature was found to be 39.26 W mK(-1) and 24.78 W mK(-1) along the a(b) and c crystal axis, respectively, showing obvious anisotropy. Detailed analyses of the mode level phonon properties further revealed that the three acoustic phonon modes dominate the overall thermal transport and the major phonon scattering channels in this typical Weyl semimetal were TA1/TA2/LA + O ↔ O and A + A ↔ O. The representative phonon mean free path of TaAs was also calculated in this paper, which provide helpful guidance for the thermal management of TaAs-based electronic devices. PMID:27271203

  10. The properties of MHD waves and instabilities in solar plasmas with anisotropic temperature and thermal fluxes

    NASA Astrophysics Data System (ADS)

    Kuznetsov, Vladimir; Dzhalilov, Namig

    As confirmed by observations, the temperature anisotropy relative to the magnetic field and the thermal fluxes are typical characteristics of the collisionless and magnetized plasma of the solar corona and solar wind. The properties of such plasma are described in terms of the anisotropic magnetohydrodynamics based on the kinetic equation under the 16-moment approximation. MHD waves and instabilities in the collisionless solar plasma have been analyzed under the aforementioned approximation taking into account the anisotropy of the plasma pressure along and across the magnetic field and the thermal flux along the field. It is established that the thermal flux results in the asymmetry of phase velocities of the compressible wave modes with respect to the outer magnetic field, in a strong interaction between the modes (particularly, between the retrograde modes propagating against the magnetic field), and in oscillatory in-stability of these modes. The thresholds of the mirror and fire-hose instabilities coincide with their kinetic expressions; the increments coincide qualitatively. At a certain propagation angle, the resonance interaction of three retrograde modes (fast sound, slow magnetosound, and slow sound ones) under the occurrence conditions of the classical aperiodic fire-hose instability gives rise to the oscillatory "fire-hose" instability of compressible modes, whose maximum increment may exceed the maximum increment of the classical fire-hose instability. A good agreement of the results obtained in terms of anisotropic MHD with the low-frequency limit of the kinetic description allows us to consider the applied approximation adequate for the description of large-scale dynamics of collisionless anisotropic solar plasma and to use it in the study of waves and instabilities in magnetic tubes and other magnetic features in the solar corona, magnetic reconnection, etc.

  11. Anisotropic Poly(Vinyl Alcohol) Hydrogel: Connection Between Structure and Bulk Mechanical Properties

    NASA Astrophysics Data System (ADS)

    Hudson, Stephen; Hutter, Jeffrey; Millon, Leonardo; Wan, Wankei; Nieh, Mu-Ping

    2009-03-01

    Poly(vinyl alcohol) (PVA) hydrogels are formed from PVA solution by creation of physical cross-links during freeze/thaw cycling. By choosing a suitable freeze/thaw protocol and applying a strain during thermal processing, gels with permanent, anisotropic bulk mechanical properties matching those of cardiovascular tissues can be made, making them useful for applications ranging from artificial heart valves to vascular grafts. We have performed small- and ultra small-angle neutron scattering (SANS and USANS) measurements covering length scales from 2 nm to 10 μm, and modeled the structure as interconnected PVA blobs of size 20 to 50 nm arranged in fractal aggregates extending to at least 10 μm. Here, we discuss the relationship between the microstructure and bulk mechanical properties. Strength increases with the number of thermal cycles due to reinforcement of the small-scale gel phase, while anisotropy is due to elongation of the much larger fractal aggregates.

  12. Dispersion properties of transverse anisotropic liquid crystal core photonic crystal fibers

    NASA Astrophysics Data System (ADS)

    Karasawa, Naoki

    2016-04-01

    The dispersion properties of liquid crystal core photonic crystal fibers for different core diameters have been calculated by a full vectorial finite difference method. In calculations, air holes are assumed to be arranged in a regular hexagonal array in fused silica and a central hole is filled with liquid crystal to create a core. In this study, three types of transverse anisotropic configurations, where liquid crystal molecules are oriented in a transverse plane, and a planar configuration, where liquid crystal molecules are oriented in a propagation direction, are considered. The large changes of the dispersion properties are found when the orientation of the liquid crystal molecules is changed from a planar configuration to a uniform configuration, where all molecules are oriented in the same direction in a transverse plane. Since the orientation of liquid crystal molecules may be controlled by applying an electric field, it could be utilized for various applications including the spectral control of supercontinuum generation.

  13. Anisotropic Elastography for Local Passive Properties and Active Contractility of Myocardium from Dynamic Heart Imaging Sequence

    PubMed Central

    Wang, Ge; Sun, L. Z.

    2006-01-01

    Major heart diseases such as ischemia and hypertrophic myocardiopathy are accompanied with significant changes in the passive mechanical properties and active contractility of myocardium. Identification of these changes helps diagnose heart diseases, monitor therapy, and design surgery. A dynamic cardiac elastography (DCE) framework is developed to assess the anisotropic viscoelastic passive properties and active contractility of myocardial tissues, based on the chamber pressure and dynamic displacement measured with cardiac imaging techniques. A dynamic adjoint method is derived to enhance the numerical efficiency and stability of DCE. Model-based simulations are conducted using a numerical left ventricle (LV) phantom with an ischemic region. The passive material parameters of normal and ischemic tissues are identified during LV rapid/reduced filling and artery contraction, and those of active contractility are quantified during isovolumetric contraction and rapid/reduced ejection. It is found that quasistatic simplification in the previous cardiac elastography studies may yield inaccurate material parameters. PMID:23165032

  14. A solution of the monoenergetic neutral particle transport equation for adjacent half-spaces with anisotropic scattering

    NASA Astrophysics Data System (ADS)

    Ganapol, B. D.; Mostacci, D.; Previti, A.

    2016-07-01

    We present highly accurate solutions to the neutral particle transport equation in a half-space. While our initial motivation was in response to a recently published solution based on Chandrasekhar's H-function, the presentation to follow has taken on a more comprehensive tone. The solution by H-functions certainly did achieved high accuracy but was limited to isotropic scattering and emission from spatially uniform and linear sources. Moreover, the overly complicated nature of the H-function approach strongly suggests that its extension to anisotropic scattering and general sources is not at all practical. For this reason, an all encompassing theory for the determination of highly precise benchmarks, including anisotropic scattering for a variety of spatial source distributions, is presented for particle transport in a half-space. We illustrate the approach via a collection of cases including tables of 7-place flux benchmarks to guide transport methods developers. The solution presented can be applied to a considerable number of one and two half-space transport problems with variable sources and represents a state-of-the-art benchmark solution.

  15. Characterization of three-dimensional anisotropic heart valve tissue mechanical properties using inverse finite element analysis.

    PubMed

    Abbasi, Mostafa; Barakat, Mohammed S; Vahidkhah, Koohyar; Azadani, Ali N

    2016-09-01

    Computational modeling has an important role in design and assessment of medical devices. In computational simulations, considering accurate constitutive models is of the utmost importance to capture mechanical response of soft tissue and biomedical materials under physiological loading conditions. Lack of comprehensive three-dimensional constitutive models for soft tissue limits the effectiveness of computational modeling in research and development of medical devices. The aim of this study was to use inverse finite element (FE) analysis to determine three-dimensional mechanical properties of bovine pericardial leaflets of a surgical bioprosthesis under dynamic loading condition. Using inverse parameter estimation, 3D anisotropic Fung model parameters were estimated for the leaflets. The FE simulations were validated using experimental in-vitro measurements, and the impact of different constitutive material models was investigated on leaflet stress distribution. The results of this study showed that the anisotropic Fung model accurately simulated the leaflet deformation and coaptation during valve opening and closing. During systole, the peak stress reached to 3.17MPa at the leaflet boundary while during diastole high stress regions were primarily observed in the commissures with the peak stress of 1.17MPa. In addition, the Rayleigh damping coefficient that was introduced to FE simulations to simulate viscous damping effects of surrounding fluid was determined. PMID:27173827

  16. Transport properties of ceramic composites

    SciTech Connect

    Starr, T.L.

    1995-08-01

    This project involves experimental and modeling investigation of the transport properties of chemical vapor infiltration (CVI) preforms and densified composites, with particular emphasis on gas permeability and mass diffusivity. The results of this work will be useful both for on-going CVI process development and for evaluation and optimization of composite materials for fossil energy applications. With preforms made with 500 filaments/tow Nicalon at 40 vol% fiber loading, permeability values are similar for square-weave cloth layup and 3-D weave at low density. At greater densification the 3-D weave permeability is lower and approaches zero with significantly more closed porosity than the cloth layup. For filament wound preforms we were unable to make reliable measurements with the available materials. A model for gas transport in these materials utilizes percolation theory concepts. The ultimate achievable density is related to the closing of a continuous gas path through the preform. As the density approaches this limit the gas permeability and diffusivity vanish exponentially. The value of this limit is controlled primarily by the preform fiber architecture. The observed difference between the cloth layup and 3-D weave materials is due to the larger pores at tow crossing points found in the 3-D weave.

  17. Propagation properties of an optical vortex carried by a Bessel-Gaussian beam in anisotropic turbulence.

    PubMed

    Cheng, Mingjian; Guo, Lixin; Li, Jiangting; Huang, Qingqing

    2016-08-01

    Rytov theory was employed to establish the transmission model for the optical vortices carried by Bessel-Gaussian (BG) beams in weak anisotropic turbulence based on the generalized anisotropic von Karman spectrum. The influences of asymmetry anisotropic turbulence eddies and source parameters on the signal orbital angular momentum (OAM) mode detection probability of partially coherent BG beams in anisotropic turbulence were discussed. Anisotropic characteristics of the turbulence could enhance the OAM mode transmission performance. The spatial partially coherence of the beam source would increase turbulent aberration's effect on the optical vortices. BG beams could dampen the influences of the turbulence because of their nondiffraction and self-healing characteristics.

  18. Propagation properties of an optical vortex carried by a Bessel-Gaussian beam in anisotropic turbulence.

    PubMed

    Cheng, Mingjian; Guo, Lixin; Li, Jiangting; Huang, Qingqing

    2016-08-01

    Rytov theory was employed to establish the transmission model for the optical vortices carried by Bessel-Gaussian (BG) beams in weak anisotropic turbulence based on the generalized anisotropic von Karman spectrum. The influences of asymmetry anisotropic turbulence eddies and source parameters on the signal orbital angular momentum (OAM) mode detection probability of partially coherent BG beams in anisotropic turbulence were discussed. Anisotropic characteristics of the turbulence could enhance the OAM mode transmission performance. The spatial partially coherence of the beam source would increase turbulent aberration's effect on the optical vortices. BG beams could dampen the influences of the turbulence because of their nondiffraction and self-healing characteristics. PMID:27505641

  19. Strong in-plane anisotropic optical properties of monolayer, few-layer and bulk ReSe2

    NASA Astrophysics Data System (ADS)

    Zhao, Huan; Guo, Qiushi; Wang, Luhao; Xia, Fengnian; Wang, Han

    2015-03-01

    Recently, there has been growing interest in the anisotropic properties of certain two-dimensional (2D) materials with reduced lattice symmetry, such as black phosphorus, for developing novel applications in nanoelectronics and infrared optoelectronics. In this work, we report the strong anisotropic optical and electronic properties of monolayer, few-layer and bulk ReSe2, an emerging member of the 2D transition metal dichalcogenides (TMDCs) family. With its bulk bandgap around 1.1 eV and potentially tunable with layer number and strain, ReSe2 may complement black phosphorus for optoelectronic applications utilizing its anisotropic properties in the near-infrared and visible range. Through careful investigations of the polarization-resolved Raman spectroscopy, photoluminescence (PL), polarization-resolved optical extinction spectrum, angle-resolved DC conductance and first principles calculations, we observed and explained the consistent dependence of phonon, optical and electrical properties of ReSe2 on its in-plane crystal orientation. Our results reveal the interesting anisotropic properties of 2D ReSe2 and shed light on its potential applications in electronics and optoelectronics. This work was supported by the Army Research Laboratory.

  20. A note on conservative transport in anisotropic, heterogeneous porous media in the presence of small-amplitude transients

    USGS Publications Warehouse

    Naff, R.L.

    1998-01-01

    The late-time macrodispersion coefficients are obtained for the case of flow in the presence of a small-scale deterministic transient in a three-dimensional anisotropic, heterogeneous medium. The transient is assumed to affect only the velocity component transverse to the mean flow direction and to take the form of a periodic function. For the case of a highly stratified medium, these late-time macrodispersion coefficients behave largely as the standard coefficients used in the transport equation. Only in the event that the medium is isotropic is it probable that significant deviations from the standard coefficients would occur.

  1. Anisotropic mechanical properties of zircon and the effect of radiation damage

    DOE PAGES

    Beirau, Tobias; Nix, William D.; Bismayer, Ulrich; Boatner, Lynn A.; Isaacson, Scott G.; Ewing, Rodney C.

    2016-06-02

    Our study provides new insights into the relationship between radiation-dose-dependent structural damage, due to natural U and Th impurities, and the anisotropic mechanical properties (Poisson s ratio, elastic modulus and hardness) of zircon. Natural zircon samples from Sri Lanka (see Muarakami et al. 1991) and synthetic samples, covering a dose range of zero up to 6.8 x 1018 -decays/g, have been studied by nanoindentation. Measurements along the [100] crystallographic direction and calculations, based on elastic stiffness constants determined by zkan (1976), revealed a general radiation-induced decrease in stiffness (~ 54 %) and hardness (~ 48 %) and an increase ofmore » the Poisson s ratio (~ 54 %) with increasing dose. Additional indentations on selected samples along the [001] allowed one to follow the amorphization process to the point that the mechanical properties are isotropic. This work shows that the radiation-dose-dependent changes of the mechanical properties of zircon can be directly correlated with the amorphous fraction as determined by previous investigations with local and global probes (Rios et al. 2000a; Farnan and Salje 2001; Zhang and Salje 2001). This agreement, revealed by the different methods, indicates a huge influence of structural and even local phenomena on the macroscopic mechanical properties.« less

  2. Mechanical properties of cancellous bone in the human mandibular condyle are anisotropic.

    PubMed

    Giesen, E B; Ding, M; Dalstra, M; van Eijden, T M

    2001-06-01

    The objective of the present study was (1) to test the hypothesis that the elastic and failure properties of the cancellous bone of the mandibular condyle depend on the loading direction, and (2) to relate these properties to bone density parameters. Uniaxial compression tests were performed on cylindrical specimens (n=47) obtained from the condyles of 24 embalmed cadavers. Two loading directions were examined, i.e., a direction coinciding with the predominant orientation of the plate-like trabeculae (axial loading) and a direction perpendicular to the plate-like trabeculae (transverse loading). Archimedes' principle was applied to determine bone density parameters. The cancellous bone was in axial loading 3.4 times stiffer and 2.8 times stronger upon failure than in transverse loading. High coefficients of correlation were found among the various mechanical properties and between them and the apparent density and volume fraction. The anisotropic mechanical properties can possibly be considered as a mechanical adaptation to the loading of the condyle in vivo. PMID:11470118

  3. Anisotropic Hc2 , thermodynamic and transport measurements, and pressure dependence of Tc in K2Cr3As3 single crystals

    DOE PAGES

    Kong, Tai; Bud'ko, Sergey L.; Canfield, Paul C.

    2015-01-30

    We present a detailed study of single crystalline K2Cr3As3 and analyze its thermodynamic and transport properties, anisotropic Hc2(T), and initial pressure dependence of Tc. In zero field, the temperature-dependent resistivity is metallic. Deviation from a linear temperature dependence is evident below 100 K and a T3 dependence is roughly followed from just above Tc (~10K) to ~40K. Anisotropic Hc2(T) data were measured up to 140 kOe with field applied along and perpendicular to the rodlike crystals. For the applied field perpendicular to the rod, Hc2(T) is linear with a slope ~–70 kOe/K. For field applied along the rod, the slopemore » is about –120 kOe/K below 70 kOe. Above 70 kOe, the magnitude of the slope decreases to ~–70 kOe/K. The electronic specific heat coefficient γ, just above Tc, is 73 mJ/mol K2; the Debye temperature ΘD is 220 K. As a result, the specific heat jump at the superconducting transition ΔC~2.2γTc. Finally, for hydrostatic pressures up to ~7 kbar, Tc decreases under pressure linearly at a rate of –0.034K/kbar.« less

  4. Anisotropic transport in single-crystal molybdenum bronze, Li0.33MoO3

    NASA Astrophysics Data System (ADS)

    Moshfeghyeganeh, Saeed; Cohn, Joshua L.; Neumeier, John J.

    2015-03-01

    We present transport measurements (resistivity, thermopower, thermal conductivity) on single crystals of the quasi-one-dimensional semiconductor Li0.33MoO3 in the temperature range 200-500 K. First synthesized and studied long ago, the thermal and thermoelectric properties for this compound have not been previously reported. We find extreme anisotropy in the Seebeck coefficient within the a - c planes, with Sc -Sa ~= 300 μ V/K near room temperature. The thermal conductivity at room temperature in the a - c planes was ~ 1 . 5 - 2 W/mK and 7-8 times smaller along b*. We also report x-ray studies of the out-of-plane (b*) lattice constants indicating a small structural transition at T ~ 350 K that coincides with anomalies in the transport properties. This material is based upon work supported by the U.S. Department of Energy Office of Basic Energy Sciences Grant DE-FG02-12ER46888 (Univ. Miami) and the National Science Foundation under Grant DMR-0907036 (Mont. St. Univ.).

  5. Anisotropic Mechanical Properties of Ovine Femoral Periosteum and the Effects of Cryopreservation

    PubMed Central

    McBride, Sarah H.; Evans, Sarah F.; Tate, Melissa L. Knothe

    2013-01-01

    The mechanical properties of periosteum are not well characterized. An understanding of these properties is critical to predict the environment of pluripotent and osteochondroprogenitor cells that reside within the periosteum and that have been shown recently to exhibit a remarkably rapid capacity to generate bone de novo. Furthermore, the effects of cryopreservation on periosteal mechanical properties are currently unknown. We hypothesized that the periosteum is pre-stressed in situ and that the periosteum exhibits anisotropic material properties, e.g. the elastic modulus of the periosteum depends significantly on the direction of loading. We measured the change in area, axial length, and circumferential length of anterior, posterior, medial, and lateral fresh periosteal samples removed from underlying bone (t = 0–16 hrs) as well as the average strain in axially and circumferentially oriented anterior periosteal samples subjected to tensile strain (0.004 mm/s) until failure. The elastic modulus was calculated from the resulting stress-strain curves. Tensile testing was repeated with axially aligned samples that had been slowly cryopreserved for comparison to fresh samples. Periosteal samples from all aspects immediate shrank 44–54%, 33–47%, and 9–19% in area, axial length, and circumferential length, respectively. At any given time, the periosteum shrank significantly more in the axial direction than the circumferential direction. Tensile testing showed that the periosteum is highly anisotropic. When loaded axially, a compliant toe region of the stress-strain curve (1.93±0.14 MPa) is followed by a stiffer region until failure (25.67±6.87 MPa). When loaded circumferentially, no toe region is observable and the periosteum remained compliant until failure (4.41±1.21 MPa). Cryopreservation had no significant effect on the elastic modulus of the periosteum. As the periosteum serves as the bounding envelope of the femur, anisotropy in periosteal properties

  6. Transport properties of rippled graphene.

    PubMed

    Zwierzycki, Maciej

    2014-04-01

    The exceptionally high mobility of carriers in graphene is one of its defining characteristics, especially in view of potential applications. Therefore it is of both practical and fundamental importance to understand the mechanisms responsible for limiting the values of the mobility. The aim of the paper is to study theoretically one such mechanism, i.e. scattering on ripples. The transport properties of rippled graphene are studied using the single-band tight-binding model. Both the bond-length variation, corresponding to the vector potential in the effective mass picture, and the fluctuating scalar potential are included in the formalism. The samples are modeled as self-similar surfaces characterized by the roughness exponent, with values ranging from those typical for graphene on SiO2 to those seen for suspended samples. The range of calculated resistivities and mobilities overlaps with those from experiments. The results presented in this paper support the notion of rippling as one of the important factors limiting the mobility of carriers in graphene.

  7. Geomechanical and anisotropic acoustic properties of Lower Jurassic Posidonia shales from Whitby (UK)

    NASA Astrophysics Data System (ADS)

    Zhubayev, Alimzhan; Houben, Maartje; Smeulders, David; Barnhoorn, Auke

    2014-05-01

    The Posidonia Shale Formation (PSF) is one of the possible resource shales for unconventional gas in Northern Europe and currently is of great interest to hydrocarbon exploration and production. Due to low permeability of shales, economically viable production requires hydraulic fracturing of the reservoir. The design of hydrofractures requires an estimate of stress state within the reservoir and geomechanical properties such as Young's modulus and Poisson's ratio. Shales are often highly anisotropic and the models which neglect shale anisotropy may fail to predict the behaviour of hydrofractures. Seismic attenuation anisotropy, on the other hand, can play a key role in quantitative rock characterization. Where the attenuation anisotropy can potentially be linked to anisotropic permeability of shales, its fluid/gas saturation and preferred development of anisotropic fracture orientations. In this research, by utilizing the so-called Thomsen's notations, the elastic anisotropy of our (fractured and unfractured) shales has been investigated using a pulse transmission technique in the ultrasonic frequency range (0.3-1 MHz). Assuming transverse isotropy of the shales, and taking the axis x3 as the axis of rotational symmetry, directional Young's moduli and Poisson's ratios were obtained. The Young's modulus measured parallel to bedding (E1) is found to be larger than the Young's modulus measured orthogonal to bedding (E3). In case of the Poisson's ratios, we found that ν31 is larger than ν12, where νijrelates elastic strain in xj direction to stress applied in xi direction. Finally, attenuation anisotropy in dry and layer-parallel fractured Posidonia shale samples has been studied in the same frequency range. The attenuation of compressional (QP-1) and shear (QS-1) waves increases substantially with a macro (or wavelength) fracture introduction, especially for P and S waves propagating orthogonal to the bedding. In non-fractured and fractured dry shales, QP-1 is

  8. Influence of the anisotropic mechanical properties of the skull in low-intensity focused ultrasound towards neuromodulation of the brain.

    PubMed

    Metwally, Mohamed K; Han, Hee-Sok; Jeon, Hyun Jae; Khang, Gon; Kim, Tae-Seong

    2013-01-01

    Lately, neuromodulation of the brain is considered one of the promising applications of ultrasound technology in which low-intensity focused ultrasound (LIFU) is used noninvasively to excite or inhibit neuronal activity. In LIFU, one of critical barriers in the propagation of ultrasound wave is the skull, which is known to be highly anisotropic mechanically: this affects the ultrasound focusing, thereby neuromodulation effects. This study aims to investigate the influence of the anisotropic properties of the skull on the LIFU via finite element head models incorporating the anisotropic properties of the skull. We have examined the pressure and stress distributions within the head in LIFU. Our results show that though most of the pressure that reaches to the brain is due to the longitudinal wave propagation through the skull, the normal stress in the transverse direction of the wave propagation has the main role to control the pressure profile inside the brain more than the shear stress. The results also show that the anisotropic properties of skull contribute in broadening the focal zone in comparison to that of the isotropic skull.

  9. The transport properties of activated carbon fibers

    SciTech Connect

    di Vittorio, S.L. . Dept. of Materials Science and Engineering); Dresselhaus, M.S. . Dept. of Electrical Engineering and Computer Science Massachusetts Inst. of Tech., Cambridge, MA . Dept. of Physics); Endo, M. . Dept. of Electrical Engineering); Issi, J-P.; Piraux, L.

    1990-07-01

    The transport properties of activated isotropic pitch-based carbon fibers with surface area 1000 m{sup 2}/g have been investigated. We report preliminary results on the electrical conductivity, the magnetoresistance, the thermal conductivity and the thermopower of these fibers as a function of temperature. Comparisons are made to transport properties of other disordered carbons. 19 refs., 4 figs.

  10. TRANSPORT PROPERTY MEASUREMENTS OF HFC-236EA

    EPA Science Inventory

    The report gives results of an evaluation of transport properties of 1,1,1,2,3,3,-hexafluoropropane (HFC-236ea), with liquid viscosity and thermal conductivity being the two main transport properties of interest. In addition, the specific heat and density of refrigerant/lubrican...

  11. The Transport Properties of Activated Carbon Fibers

    DOE R&D Accomplishments Database

    di Vittorio, S. L.; Dresselhaus, M. S.; Endo, M.; Issi, J-P.; Piraux, L.

    1990-07-01

    The transport properties of activated isotropic pitch-based carbon fibers with surface area 1000 m{sup 2}/g have been investigated. We report preliminary results on the electrical conductivity, the magnetoresistance, the thermal conductivity and the thermopower of these fibers as a function of temperature. Comparisons are made to transport properties of other disordered carbons.

  12. Mechanical Properties of Anisotropic Conductive Adhesive Film Under Hygrothermal Aging and Thermal Cycling

    NASA Astrophysics Data System (ADS)

    Gao, Li-Lan; Chen, Xu; Gao, Hong

    2012-07-01

    Mechanical properties of anisotropic conductive adhesive film (ACF) were investigated experimentally under various environmental conditions. The temperature sweep test was conducted to investigate the effects of temperature on dynamical mechanical properties of the ACF. The ACF exhibited transitions to the glass state, viscoelastic state, and rubber state with increasing temperature, and its glass-transition temperature ( T g) was determined to be 149°C. The creep-recovery behaviors of the ACF were investigated, and it was found that the initial strains, instantaneous strains, and creep or recovery rates increased with increasing temperature. No obvious creep phenomenon was observed at low temperatures (≤0°C). The creep strain and creep rates at any time decreased with increasing hygrothermal aging time. The uniaxial tensile behaviors of the ACF were also investigated under hygrothermal aging and thermal cycling. The results show that the Young's modulus and tensile strength of the ACF decrease with increasing hygrothermal aging time; however, they increase at first and then decrease with increasing thermal cycling time. T g decreases slightly for the ACF after hygrothermal aging; however, it increases after thermal cycling.

  13. Anisotropic optical properties of few-layer transition metal dichalcogenide ReS2

    NASA Astrophysics Data System (ADS)

    Li, Zhenglu; Cao, Ting; da Jornada, Felipe H.; Wu, Meng; Louie, Steven G.

    We present first-principles (DFT, GW and GW-BSE) calculations of the electronic and optical properties of few-layer rhenium disulfide (ReS2). Monolayer ReS2 shows strong many-electron effects with a fundamental quasiparticle band gap of 2.38 eV based on G0W0 calculation and a large exciton binding energy of 690 meV based on solving the Bethe-Salpeter equation. Highly anisotropic linear-polarized optical absorptions are revealed for few-layer and bulk ReS2. The band gap shows a decreasing trend with the optical polarization direction near the absorption edge gradually rotating from around 67 degree in the monolayer to 85 degree in the bulk, referencing to the Re-chain. Our calculations are consistent with recent experimental data and theoretical studies, and provide a systematic understanding of the electronic and optical properties in few-layer ReS2. This work was supported by National Science Foundation Grant No. DMR15-1508412 and the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. Computational resources have been provided by DOE at Lawrence Berkeley National Laboratory's NERSC facility.

  14. Anisotropic mechanical properties of zircon and the effect of radiation damage

    NASA Astrophysics Data System (ADS)

    Beirau, Tobias; Nix, William D.; Bismayer, Ulrich; Boatner, Lynn A.; Isaacson, Scott G.; Ewing, Rodney C.

    2016-10-01

    This study provides new insights into the relationship between radiation-dose-dependent structural damage due to natural U and Th impurities and the anisotropic mechanical properties (Poisson's ratio, elastic modulus and hardness) of zircon. Natural zircon samples from Sri Lanka (see Muarakami et al. in Am Mineral 76:1510-1532, 1991) and synthetic samples, covering a dose range of zero up to 6.8 × 1018 α-decays/g, have been studied by nanoindentation. Measurements along the [100] crystallographic direction and calculations, based on elastic stiffness constants determined by Özkan (J Appl Phys 47:4772-4779, 1976), revealed a general radiation-induced decrease in stiffness (~54 %) and hardness (~48 %) and an increase in the Poisson's ratio (~54 %) with increasing dose. Additional indentations on selected samples along the [001] allowed one to follow the amorphization process to the point that the mechanical properties are isotropic. This work shows that the radiation-dose-dependent changes of the mechanical properties of zircon can be directly correlated with the amorphous fraction as determined by previous investigations with local and global probes (Ríos et al. in J Phys Condens Matter 12:2401-2412, 2000a; Farnan and Salje in J Appl Phys 89:2084-2090, 2001; Zhang and Salje in J Phys Condens Matter 13:3057-3071, 2001). The excellent agreement, revealed by the different methods, indicates a large influence of structural and even local phenomena on the macroscopic mechanical properties. Therefore, this study indicates the importance of acquiring better knowledge about the mechanical long-term stability of radiation-damaged materials.

  15. When do fractured media become seismically anisotropic? Some implications on quantifying fracture properties

    NASA Astrophysics Data System (ADS)

    Yousef, B. M.; Angus, D. A.

    2016-06-01

    Fractures are pervasive features within the Earth's crust and they have a significant influence on the multi-physical response of the subsurface. The presence of coherent fracture sets often leads to observable seismic anisotropy enabling seismic techniques to remotely locate and characterise fracture systems. In this study, we confirm the general scale-dependence of seismic anisotropy and provide new results specific to shear-wave splitting (SWS). We find that SWS develops under conditions when the ratio of wavelength to fracture size (λS / d) is greater than 3, where Rayleigh scattering from coherent fractures leads to an effective anisotropy such that effective medium model (EMM) theory is qualitatively valid. When 1 <λS / d < 3 there is a transition from Rayleigh to Mie scattering, where no effective anisotropy develops and hence the SWS measurements are unstable. When λS / d < 1 we observe geometric scattering and begin to see behaviour similar to transverse isotropy. We find that seismic anisotropy is more sensitive to fracture density than fracture compliance ratio. More importantly, we observe that the transition from scattering to an effective anisotropic regime occurs over a propagation distance between 1 and 2 wavelengths depending on the fracture density and compliance ratio. The existence of a transition zone means that inversion of seismic anisotropy parameters based on EMM will be fundamentally biased. More importantly, we observe that linear slip EMM commonly used in inverting fracture properties is inconsistent with our results and leads to errors of approximately 400% in fracture spacing (equivalent to fracture density) and 60% in fracture compliance. Although EMM representations can yield reliable estimates of fracture orientation and spatial location, our results show that EMM representations will systematically fail in providing quantitatively accurate estimates of other physical fracture properties, such as fracture density and compliance

  16. Investigation of low field dielectric properties of anisotropic porous Pb(Zr,Ti)O3 ceramics: Experiment and modeling

    NASA Astrophysics Data System (ADS)

    Olariu, C. S.; Padurariu, L.; Stanculescu, R.; Baldisserri, C.; Galassi, C.; Mitoseriu, L.

    2013-12-01

    Anisotropic porous Pb(Zr,Ti)O3 ceramics with various porosity degrees have been studied in order to determine the role of the pore shape and orientation on the low-field dielectric properties. Ceramic samples with formula Pb(Zr0.52Ti0.48)0.976Nb0.024O3 with different porosity degrees (dense, 10%, 20%, 40% vol.) have been prepared by solid state reaction. Taking into consideration the shape and orientation of the pore inclusions, the dielectric properties of porous ceramics have been described by using adapted mixing rules models. Rigorous bounds, derived on the basis on Variational Principle, were used to frame dielectric properties of porous composites. The finite element method (FEM) was additionally used to simulate the dielectric response of the porous composites under various applied fields. Among the few effective medium approximation models adapted for anisotropic oriented inclusions, the best results were obtained in case of needle-like shape inclusions (which do not correspond to the real shape of microstructure inclusions). The general case of Wiener bounds limited well the dielectric properties of anisotropic porous composites in case of parallel orientation. Among the theoretical approaches, FEM technique allowed to simulate the distribution of potential and electric field inside composites and provided a very good agreement between the computed permittivity values and experimental ones.

  17. Length-dependence of flexural rigidity as a result of anisotropic elastic properties of microtubules

    SciTech Connect

    Li, C.; Ru, C.Q. . E-mail: c.ru@ualberta.ca; Mioduchowski, A.

    2006-10-27

    Unexplained length-dependence of flexural rigidity and Young's modulus of microtubules is studied using an orthotropic elastic shell model. It is showed that vibration frequencies and buckling load predicted by the accurate orthotropic shell model are much lower than that given by the approximate isotropic beam model for shorter microtubules, although the two models give almost identical results for sufficiently long microtubules. It is this inaccuracy of the isotropic beam model used by all previous researchers that leads to reported lower flexural rigidity and Young's modulus for shorter microtubules. In particular, much lower shear modulus and circumferential Young's modulus, which only weaken flexural rigidity of shorter microtubules, are responsible for the observed length-dependence of the flexural rigidity. These results confirm that longitudinal Young's modulus of microtubules is length-independent, and the observed length-dependence of the flexural rigidity and Young's modulus is a result of strongly anisotropic elastic properties of microtubules which have a length-dependent weakening effect on flexural rigidity of shorter microtubules.

  18. Optical properties of phase shift on reflection and/or transmission through biaxial anisotropic thin films

    NASA Astrophysics Data System (ADS)

    Hou, Yongqiang; Qi, Hongji; Li, Xu; He, Kai; Fang, Ming; Yi, Kui; Shao, Jianda

    2013-07-01

    On the basis of theoretical analysis of biaxial birefringent thin films, this study investigates the optical properties of phase shift on reflection and/or transmission through slanted columnar TiO2 sculptured anisotropic thin film (ATF) deposited with glancing angle deposition (GLAD) technique via reactive electron-beam evaporation. The tilted nanocolumn microstructures of thin film induce the optical anisotropy. The optical constants dispersion equations of TiO2 ATF are determined from fitting the transmittance spectra for s- and p-polarized waves measured at normal and oblique incidence within 400-1200nm. With the extracted structure parameters, the phase shifts of polarized light are analyzed with the characteristic matrix and then measured with spectroscopic ellipsometry in the deposition plane. A reasonably good agreement between the theoretical studies and experimental measurements is obtained. In addition, the dependence of the phase shift on oblique incidence angle is also discussed. The results show a greater generality and superiority of the characteristic matrix method. Birefringence of the biaxial ATF performed a sophisticated phase modulation with varied incidence angles over a broad range to have a wide-angle phase shift.

  19. Anisotropic effective medium properties from interacting Ag nanoparticles in silicon dioxide.

    PubMed

    Menegotto, Thiago; Horowitz, Flavio

    2014-05-01

    Films containing a layer of Ag nanoparticles embedded in silicon dioxide were produced by RF magnetron sputtering. Optical transmittance measurements at several angles of incidence (from normal to 75°) revealed two surface plasmon resonance (SPR) peaks, which depend on electric field direction: one in the ultraviolet and another red-shifted from the dilute Ag/SiO₂ system resonance at 410 nm. In order to investigate the origin of this anisotropic behavior, the structural properties were determined by transmission electron microscopy, revealing the bidimensional plane distribution of Ag nanoparticles with nearly spherical shape as well as the filling factor of metal in the composite. A simple model linked to these experimental parameters allowed description of the most relevant features of the SPR positions, which, depending on the field direction, were distinctly affected by the coupling of oscillations between close nanoparticles, as described by a modified Drude-Lorentz dielectric function introduced into the Maxwell-Garnett relation. This approach allowed prediction of the resonance for light at 75° incidence from the SPR position for light at normal incidence, in good agreement with experimental observation. PMID:24921871

  20. Influence of anisotropic elasticity on the mechanical properties of fivefold twinned nanowires

    NASA Astrophysics Data System (ADS)

    Niekiel, Florian; Spiecker, Erdmann; Bitzek, Erik

    2015-11-01

    Previous atomistic simulations and experiments have shown an increased Young's modulus and yield strength of fivefold twinned (FT) face-centered cubic metal nanowires (NWs) when compared to single crystalline (SC) NWs of the same orientation. Here we report the results of atomistic simulations of SC and FT Ag, Al, Au, Cu and Ni NWs with diameters between 2 and 50 nm under tension and compression. The simulations show that the differences in Young's modulus between SC and FT NWs are correlated with the elastic anisotropy of the metal, with Al showing a decreased Young's modulus. We develop a simple analytical model based on disclination theory and constraint anisotropic elasticity to explain the trend in the difference of Young's modulus between SC and FT NWs. Taking into account the role of surface stresses and the elastic properties of twin boundaries allows to account for the observed size effect in Young's modulus. The model furthermore explains the different relative yield strengths in tension and compression as well as the material and loading dependent failure mechanisms in FTNWs.

  1. Structure and anisotropic properties of single crystals nickel doped barium iron arsenide

    SciTech Connect

    Ronning, Filip; Bauer, Eric D; Sefat, A S; Jin, R; Mcguire, M A; Sales, B C; Mandrus, D

    2009-01-01

    The crystal structure, anisotropic electrical resistivity and magnetic susceptibility, as well as specific heat results of the pure single crystals of BaFe{sub 2}As{sub 2}, BaFeNiAs{sub 2}, and BaNi{sub 2}As{sub 2} are surveyed. BaFe{sub 2}As{sub 2} properties demonstrate the equivalence of C(T), Fisher's d({chi}T)/dT and d{rho}/dT results in determining the antiferromagnetic transition at T{sub N} = 132(1) K. BaNi{sub 2}As{sub 2} shows a structural phase transition from a high-temperature tetragonal phase to a low-temperature triclinic pol symmetry at T{sub 0} 131 K, with superconducting critical temperature well below at {Tc} 0.69 K. BaFeNiAs{sub 2} does not show any sign of superconductivity and gives behavioral similarity to BaCo{sub 2}As{sub 2}, a renomalized paramagnetic metal.

  2. Influence of Surfactant Bilayers on the Refractive Index Sensitivity and Catalytic Properties of Anisotropic Gold Nanoparticles.

    PubMed

    Martinsson, Erik; Shahjamali, Mohammad M; Large, Nicolas; Zaraee, Negin; Zhou, Yu; Schatz, George C; Mirkin, Chad A; Aili, Daniel

    2016-01-20

    Shape-controlled synthesis of gold nanoparticles generally involves the use of surfactants, typically cetyltrimethylammonium (CTAX, X = Cl(-) , Br(-)), to regulate the nucleation growth process and to obtain colloidally stable nanoparticles. The surfactants adsorb on the nanoparticle surface making further functionalization difficult and therefore limit their use in many applications. Herein, the influence of CTAX on nanoparticle sensitivity to local dielectric environment changes is reported. It is shown, both experimentally and theoretically, that the CTAX bilayer significantly reduces the refractive index (RI) sensitivity of anisotropic gold nanoparticles such as nanocubes and concave nanocubes, nanorods, and nanoprisms. The RI sensitivity can be increased by up to 40% by removing the surfactant layer from nanoparticles immobilized on a solid substrate using oxygen plasma treatment. This increase compensates for the otherwise problematic decrease in RI sensitivity caused by the substrate effect. Moreover, the removal of the surfactants both facilitates nanoparticle biofunctionalization and significantly improves their catalytic properties. The strategy presented herein is a simple yet effective universal method for enhancing the RI sensitivity of CTAX-stabilized gold nanoparticles and increasing their potential as transducers in nanoplasmonic sensors, as well as in catalytic and biomedical applications. PMID:26583756

  3. Characterization of anisotropic elastic properties of the arteries by exponential and polynomial strain energy functions.

    PubMed

    Hudetz, A G; Monos, E

    1981-01-01

    Three-dimensional quasi-static mechanical measurements were carried out on cylindrical segments of the dog carotid and iliac arteries for determination of the passive anisotropic elastic properties of the vessel wall. On the basis of passive characteristics of outer diameter vs. intraluminal pressure, and axial extending force vs. intraluminal pressure, picked up at various fixed initial vascular length values, the incremental Young moduli and poisson ratios of the vessel wall were calculated in the 0--33 kPa (0--250 mm Hg) pressure range. The strain energy function of the arteries was approximated by polynomial and exponential models. We found that an exponential energy function with 4-parameters gives more accurate results than the 7- or 12-parameter polynomial functions. According to the results the axial modulus reaches higher values than the tangential and radial moduli at a low tangential stretch level, while at high tangential stretch the tangential modulus is the highest in both carotid and iliac arteries. After elevation of the initial tangential stretch the increase in the tangential modulus is the most pronounced, while the values of radial and axial moduli increased less. A change in the initial axial stretch influences the axial and radial moduli to a similar extent, but has no substantial effect on the value of the tangential modulus. The values of corresponding poisson ratios depend in a similar way on the initial deformation state. The different behaviour of the two Poisson ratios characterizing the mechanical coupling between tangential and axial directions, indicates that the structural coupling between the two main directions is asymmetrical. It is assumed that this property of the passive vascular structure can be explained by the network arrangement of collagen fibres in the vessel wall.

  4. Transport properties of ground state oxygen atoms

    NASA Technical Reports Server (NTRS)

    Holland, Paul M.; Biolsi, Louis

    1988-01-01

    The transport properties of dilute monatomic gases depend on the two-body interactions between like atoms. When two ground-state oxygen atoms interact, they can follow any of 18 potential energy curves corresponding to O2, all of which contribute to the transport properties of the ground-state atoms. Transport collision integrals have been calculated for those interactions with an attractive minimum in the potential, and repulsive ab initio potential-energy curves have been accurately represented. Results are given for viscosity, thermal conductivity, and diffusion and they are compared with previous theoretical calculations.

  5. Electronic, transport, and optical properties of bulk and mono-layer PdSe{sub 2}

    SciTech Connect

    Sun, Jifeng; Shi, Hongliang; Siegrist, Theo; Singh, David J.

    2015-10-12

    The electronic and optical properties of bulk and monolayer PdSe{sub 2} are investigated using first-principles calculations. Using the modified Becke-Johnson potential, we find semiconductor behavior for both bulk and monolayer PdSe{sub 2} with indirect gap values of 0.03 eV for bulk and 1.43 eV for monolayer, respectively. Our sheet optical conductivity results support this observation and show similar anisotropic feature in the 2D plane. We further study the thermoelectric properties of the 2D PdSe{sub 2} using Blotzmann transport model and find interestingly high Seebeck coefficients (>200 μV/K) for both p- and n-type up to high doping level (∼2 × 10{sup 13} cm{sup −2}) with an anisotropic character in an electrical conductivity suggesting better thermoelectric performance along y direction in the plane.

  6. Electronic, transport, and optical properties of bulk and mono-layer PdSe2

    DOE PAGES

    Sun, Jifeng; Shi, Hongliang; Siegrist, Theo; Singh, David J.

    2015-10-13

    In this study, the electronic and optical properties of bulk and monolayer PdSe2 are investigated using firstprinciples calculations. Using the modified Becke-Johnson potential, we find semiconductor behavior for both bulk and monolayer PdSe2 with indirect gap values of 0.03 eV for bulk and 1.43 eV for monolayer, respectively. Our sheet optical conductivity results support this observation and show similar anisotropic feature in the 2D plane. We further study the thermoelectric properties of the 2D PdSe2 using Blotzmann transport model and find interestingly high Seebeck coefficients (>200 μV/K) for both p- and n-type up to high doping level (–2 x 1013more » cm2) with an anisotropic character in an electrical conductivity suggesting better thermoelectric performance along y direction in the plane.V« less

  7. Assessing the influence of van der Waals corrected exchange-correlation functionals on the anisotropic mechanical properties of coinage metals

    NASA Astrophysics Data System (ADS)

    Lee, Ji-Hwan; Park, Jong-Hun; Soon, Aloysius

    2016-07-01

    Current materials-related calculations employ density-functional theory (DFT), commonly using the (semi-)local-density approximations for the exchange-correlation (xc) functional. The difficulties in arriving at a reasonable description of van der Waals (vdW) interactions by DFT-based models is to date a big challenge. In this work, we use various flavors of vdW-corrected DFT xc functionals—ranging from the quasiempirical force-field add-on vdW corrections to self-consistent nonlocal correlation functionals—to study the bulk lattice and mechanical properties (including the elastic constants and anisotropic indices) of the coinage metals (copper, silver, and gold). We critically assess the reliability of the different vdW-corrected DFT methods in describing their anisotropic mechanical properties which have been less reported in the literature. In the context of this work, we regard that our results reiterate the fact that advocating a so-called perfect vdW-inclusive xc functional for describing the general physics and chemistry of these coinage metals could be a little premature. These challenges to modern-day functionals for anisotropically strained coinage metals (e.g., at the faceted surfaces of nanostructures) may well be relevant to other strained material systems.

  8. Transport Properties and Transport Phenomena in Casting Nickel Superalloys

    NASA Astrophysics Data System (ADS)

    Felicelli, S. D.; Sung, P. K.; Poirier, D. R.; Heinrich, J. C.

    1998-11-01

    Nickel superalloys that are used in the high-temperature regions of gas-turbine engines are cast by directional solidification (DS). In the DS processes, the castings are cooled from below, and three zones exist during solidification: (1) an all-solid zone at the bottom, (2) a "mushy zone" that is comprised of solid and liquid material, and (3) an overlying all-liquid zone. Computer simulations can be useful in predicting the complex transport phenomena that occur during solidification, but realistic simulations require accurate values of the transport properties. In addition to transport properties, the thermodynamic equilibria between the solid and liquid during solidification must also be known with reasonable accuracy. The importance of using reasonably accurate estimations of the transport properties is illustrated by two-dimensional simulations of the convection during solidification and the coincidental macrosegregation in the DS castings of multicomponent Ni-base alloys. In these simulations, we examine the sensitivity of the calculated results to measured partition ratios, thermal expansion coefficients, and viscosities that are estimated by regression analyses and correlations of existing property data.

  9. Anisotropic superconducting and normal state magnetic properties of single crystals of RNi*2*B*2*C compounds (R = Y, Gd, Dy, Ho, Er, and Tm)

    SciTech Connect

    Cho, B.

    1995-11-01

    The interaction of superconductivity with magnetism has been one of the most interesting and important phenomena in solid state physics since the 1950`s when small amounts of magnetic impurities were incorporated in superconductors. The discovery of the magnetic superconductors RNi{sub 2}B{sub 2}C (R = rare earth, Y) offers a new system to study this interaction. The wide ranges of superconducting transition (T{sub c}) and antiferromagnetic (AF) ordering temperatures (T{sub N}) (0 K {le} T{sub c} {le} 16 K, 0 K {le} T{sub N} {le} 20 K) give a good opportunity to observe a variety of interesting phenomena. Single crystals of high quality with appropriate size and mass are crucial in examining the anisotropic intrinsic properties. Single crystals have been grown successfully by an unusual high temperature flux method and characterized thoroughly by X-ray, electrical transport, magnetization, neutron scattering, scanning electron microscopy, and other measurements.

  10. Anisotropic heat transport in nanoconfined polyamide-6,6 oligomers: atomistic reverse nonequilibrium molecular dynamics simulation.

    PubMed

    Eslami, Hossein; Mohammadzadeh, Laila; Mehdipour, Nargess

    2012-03-14

    While polymers are known as thermal insulators, recent studies show that stretched single chains of polymers have a very high thermal conductivity. In this work, our new simulation scheme for simulation of heat flow in nanoconfined fluids [H. Eslami, L. Mohammadzadeh, and N. Mehdipour, J. Chem. Phys. 135, 064703 (2011)] is employed to study the effect of chain ordering (stretching) on the rate of heat transfer in polyamide-6,6 nanoconfined between graphene surfaces. Our results for the heat flow in the parallel direction (the plane of surfaces) show that the coefficient of thermal conductivity depends on the intersurface distance and is much higher than that of the bulk polymer. A comparison of results in this work with our former findings on the heat flow in the perpendicular direction, with the coefficient of heat conductivity less than the bulk sample, reveal that well-organized polymer layers between the confining surfaces show an anisotropic heat conduction; the heat conduction in the direction parallel to the surfaces is much higher than that in the perpendicular direction. The origin of such anisotropy in nanometric heat flow is shown to be the dramatic anisotropy in chain conformations (chain stretching) beside the confining surfaces. The results indicate that the coefficients of heat conductivity in both directions, normal and parallel to the surfaces, depend on the degree of polymer layering between the surfaces and the pore width. PMID:22423855

  11. Numerical research on the anisotropic transport of thermal neutron in heterogeneous porous media with micron X-ray computed tomography

    NASA Astrophysics Data System (ADS)

    Wang, Yong; Yue, Wenzheng; Zhang, Mo

    2016-06-01

    The anisotropic transport of thermal neutron in heterogeneous porous media is of great research interests in many fields. In this paper, it is the first time that a new model based on micron X-ray computed tomography (CT) has been proposed to simultaneously consider both the separation of matrix and pore and the distribution of mineral components. We apply the Monte Carlo method to simulate thermal neutrons transporting through the model along different directions, and meanwhile detect those unreacted thermal neutrons by an array detector on the other side of the model. Therefore, the anisotropy of pore structure can be imaged by the amount of received thermal neutrons, due to the difference of rock matrix and pore-filling fluids in the macroscopic reaction cross section (MRCS). The new model has been verified by the consistent between the simulated data and the pore distribution from X-ray CT. The results show that the evaluation of porosity can be affected by the anisotropy of media. Based on the research, a new formula is developed to describe the correlation between the resolution of array detectors and the quality of imaging. The formula can be further used to analyze the critical resolution and the suitable number of thermal neutrons emitted in each simulation. Unconventionally, we find that a higher resolution cannot always lead to a better image.

  12. Numerical research on the anisotropic transport of thermal neutron in heterogeneous porous media with micron X-ray computed tomography.

    PubMed

    Wang, Yong; Yue, Wenzheng; Zhang, Mo

    2016-01-01

    The anisotropic transport of thermal neutron in heterogeneous porous media is of great research interests in many fields. In this paper, it is the first time that a new model based on micron X-ray computed tomography (CT) has been proposed to simultaneously consider both the separation of matrix and pore and the distribution of mineral components. We apply the Monte Carlo method to simulate thermal neutrons transporting through the model along different directions, and meanwhile detect those unreacted thermal neutrons by an array detector on the other side of the model. Therefore, the anisotropy of pore structure can be imaged by the amount of received thermal neutrons, due to the difference of rock matrix and pore-filling fluids in the macroscopic reaction cross section (MRCS). The new model has been verified by the consistent between the simulated data and the pore distribution from X-ray CT. The results show that the evaluation of porosity can be affected by the anisotropy of media. Based on the research, a new formula is developed to describe the correlation between the resolution of array detectors and the quality of imaging. The formula can be further used to analyze the critical resolution and the suitable number of thermal neutrons emitted in each simulation. Unconventionally, we find that a higher resolution cannot always lead to a better image. PMID:27271330

  13. Numerical research on the anisotropic transport of thermal neutron in heterogeneous porous media with micron X-ray computed tomography

    PubMed Central

    Wang, Yong; Yue, Wenzheng; Zhang, Mo

    2016-01-01

    The anisotropic transport of thermal neutron in heterogeneous porous media is of great research interests in many fields. In this paper, it is the first time that a new model based on micron X-ray computed tomography (CT) has been proposed to simultaneously consider both the separation of matrix and pore and the distribution of mineral components. We apply the Monte Carlo method to simulate thermal neutrons transporting through the model along different directions, and meanwhile detect those unreacted thermal neutrons by an array detector on the other side of the model. Therefore, the anisotropy of pore structure can be imaged by the amount of received thermal neutrons, due to the difference of rock matrix and pore-filling fluids in the macroscopic reaction cross section (MRCS). The new model has been verified by the consistent between the simulated data and the pore distribution from X-ray CT. The results show that the evaluation of porosity can be affected by the anisotropy of media. Based on the research, a new formula is developed to describe the correlation between the resolution of array detectors and the quality of imaging. The formula can be further used to analyze the critical resolution and the suitable number of thermal neutrons emitted in each simulation. Unconventionally, we find that a higher resolution cannot always lead to a better image. PMID:27271330

  14. Macroscopic properties of isotropic and anisotropic fracture networks from the percolation threshold to very large densities

    NASA Astrophysics Data System (ADS)

    Adler, P. M.; Thovert, J.; Mourzenko, V.

    2011-12-01

    The main purpose of this review paper is to summarize some recent studies of fracture networks. Progress has been made possible thanks to a very versatile numerical technique based on a three-dimensional discrete description of the fracture networks. Any network geometry, any boundary condition, and any distribution of the fractures can be addressed. The first step is to mesh the fracture network as it is by triangles of a controlled size. The second step consists in the discretization of the conservation equations by the finite volume technique. Two important properties were systematically studied, namely the percolation threshold rho_c and the macroscopic permeability K_n of the fracture network. Dimensionless quantities are denoted by a prime. The numerical results are interpreted in a systematic way with the concept of excluded volume which enables us to define a dimensionless fracture density rho' equal in the average to the average number of intersections per fracture. 1. Isotropic networks of identical fractures The dimensionless percolation threshold rho'_c of such networks was systematically studied for fractures of various shapes. rho'_c was shown to be almost independent of the shape except when one has very elongated rectangles. A formula is proposed for rho'_c. The permeability of these networks was calculated for a wide range of fracture densities and shapes. K'_n(rho') is almost independent of the fracture shape; an empirical formula is proposed for any value of rho' between rho'_c and infinity. For large rho', K_n is well approximated by the Snow formula initially derived for infinite fractures. 2. Anisotropic networks of identical fractures The fracture orientations are supposed to follow a Fisher distribution characterized by the parameter kappa; when kappa=0, the fractures are isotropic; when kappa=infinity, the fractures are perpendicular to a given direction. rho'_c does not depend significantly on kappa and the general formula proposed in 1

  15. Anisotropic Thermal Properties of Nanostructured Magnetic, Carbon and Hybrid Magnetic - Carbon Materials

    NASA Astrophysics Data System (ADS)

    Ramirez, Sylvester

    anisotropy of the thermal conductivity, K/K ⊥ ˜ 675, which is substantially larger even than in the high-quality graphite. The strongly anisotropic heat conduction properties of these films can be useful for the thermal filler applications. The results obtained for the nanostructured magnetic and hybrid materials are important for the renewable energy and electronic applications of permanent magnets.

  16. An anisotropically and heterogeneously aligned patterned electrospun scaffold with tailored mechanical property and improved bioactivity for vascular tissue engineering.

    PubMed

    Xu, He; Li, Haiyan; Ke, Qinfei; Chang, Jiang

    2015-04-29

    The development of vascular scaffolds with controlled mechanical properties and stimulatory effects on biological activities of endothelial cells still remains a significant challenge to vascular tissue engineering. In this work, we reported an innovative approach to prepare a new type of vascular scaffolds with anisotropically and heterogeneously aligned patterns using electrospinning technique with unique wire spring templates, and further investigated the structural effects of the patterned electrospun scaffolds on mechanical properties and angiogenic differentiation of human umbilical vein endothelial cells (HUVECs). Results showed that anisotropically aligned patterned nanofibrous structure was obtained by depositing nanofibers on template in a structurally different manner, one part of nanofibers densely deposited on the embossments of wire spring and formed cylindrical-like structures in the transverse direction, while others loosely suspended and aligned along the longitudinal direction, forming a three-dimensional porous microstructure. We further found that such structures could efficiently control the mechanical properties of electrospun vascular scaffolds in both longitudinal and transverse directions by altering the interval distances between the embossments of patterned scaffolds. When HUVECs were cultured on scaffolds with different microstructures, the patterned scaffolds distinctively promoted adhesion of HUVECs at early stage and proliferation during the culture period. Most importantly, cells experienced a large shape change associated with cell cytoskeleton and nuclei remodeling, leading to a stimulatory effect on angiogenesis differentiation of HUVECs by the patterned microstructures of electrospun scaffolds, and the scaffolds with larger distances of intervals showed a higher stimulatory effect. These results suggest that electrospun scaffolds with the anisotropically and heterogeneously aligned patterns, which could efficiently control the

  17. Coupled light transport-heat diffusion model for laser dosimetry with dynamic optical properties

    SciTech Connect

    London, R.A.; Glinsky, M.E.; Zimmerman, G.B.; Eder, D.C.; Jacques, S.L.

    1995-03-01

    The effect of dynamic optical properties on the spatial distribution of light in laser therapy is studied via numerical simulations. A two-dimensional, time dependent computer program called LATIS is used. Laser light transport is simulated with a Monte Carlo technique including anisotropic scattering and absorption. Thermal heat transport is calculated with a finite difference algorithm. Material properties are specified on a 2-D mesh and can be arbitrary functions of space and time. Arrhenius rate equations are solved for tissue damage caused by elevated temperatures. Optical properties are functions of tissue damage, as determined by previous measurements. Results are presented for the time variation of the light distribution and damage within the tissue as the optical properties of the tissue are altered.

  18. Anisotropic Mechanical Properties of Plasma-Sprayed Thermal Barrier Coatings at High Temperature Determined by Ultrasonic Method

    NASA Astrophysics Data System (ADS)

    Wei, Qin; Zhu, Jianguo; Chen, Wei

    2016-02-01

    The mechanical properties of plasma-sprayed thermal barrier coatings (TBC) are of great scientific and technological significance for the design and fabrication of TBC systems. The ultrasonic method combined with a sing-around method for mechanical properties measurement of TBC is deduced and the elastic modulus can be determined in the spray, or longitudinal, direction, and the transverse direction. Tested specimens of plasma-sprayed TBC are detached from the substrate and treated with thermal exposure at 1400 °C. The elastic moduli along the longitudinal and transverse directions of the TBCs are measured by different types of ultrasonic waves combined with a sing-around method, while the Poisson's ratio is also obtained simultaneously. The experimental results indicate that the magnitude of longitudinal elastic modulus is larger than that of the transverse one, and thus the plasma-sprayed TBC has an anisotropic mechanical property. Moreover, the elastic moduli along both longitudinal and transverse directions change with high-temperature exposure time, which consists of a rapid increasing stage followed by a slow decreasing stage. In addition, the magnitude of Poisson's ratio increases slightly from 0.05 to 0.2 with the high-temperature exposure time. Generally, the microstructures in the plasma-sprayed coatings and their evolution in a high-temperature environment are the main causes of the varying anisotropic mechanical properties.

  19. Computing Thermodynamic And Transport Properties Of Air

    NASA Technical Reports Server (NTRS)

    Thompson, Richard A.; Gupta, Roop N.; Lee, Kam-Pui

    1994-01-01

    EQAIRS computer program is set of FORTRAN 77 routines for computing thermodynamic and transport properties of equilibrium air for temperatures from 100 to 30,000 K. Computes properties from 11-species, curve-fit mathematical model. Successfully implemented on DEC VAX-series computer running VMS, Sun4-series computer running SunOS, and IBM PC-compatible computer running MS-DOS.

  20. Transport properties of pseudospin-1 photons (Presentation Recording)

    NASA Astrophysics Data System (ADS)

    Chan, Che Ting; Fang, Anan; Zhang, Zhao-Qing; Louie, Steven G.

    2015-09-01

    Pseudospin is of central importance in governing many unusual transport properties of graphene and other artificial systems which have pseudospins of 1/2. These unconventional transport properties are manifested in phenomena such as Klein tunneling, and collimation of electron beams in one-dimensional external potentials. Here we show that in certain photonic crystals (PCs) exhibiting conical dispersions at the center of Brillouin zone, the eigenstates near the "Dirac-like point" can be described by an effective spin-orbit Hamiltonian with a pseudospin of 1. This effective Hamiltonian describes within a unified framework the wave propagations in both positive and negative refractive index media which correspond to the upper and lower conical bands respectively. Different from a Berry phase of π for the Dirac cone of pseudospin-1/2 systems, the Berry phase for the Dirac-like cone turns out to be zero from this pseudospin-1 Hamiltonian. In addition, we found that a change of length scale of the PC can shift the Dirac-like cone rigidly up or down in frequency with its group velocity unchanged, hence mimicking a gate voltage in graphene and allowing for a simple mechanism to control the flow of pseudospin-1 photons. As a photonic analogue of electron potential, the length-scale induced Dirac-like point shift is effectively a photonic potential within the effective pseudospin-1 Hamiltonian description. At the interface of two different potentials, the 3-component spinor gives rise to distinct boundary conditions which do not require each component of the wave function to be continuous, leading to new wave transport behaviors as shown in Klein tunneling and supercollimation. For examples, the Klein tunneling of pseudospin-1 photons is much less anisotropic with reference to the incident angle than that of pseudospin-1/2 electrons, and collimation can be more robust with pseudospin-1 than pseudospin-1/2. The special wave transport properties of pseudospin-1 photons

  1. Magnetic Cellulose Nanocrystal Based Anisotropic Polylactic Acid Nanocomposite Films: Influence on Electrical, Magnetic, Thermal, and Mechanical Properties.

    PubMed

    Dhar, Prodyut; Kumar, Amit; Katiyar, Vimal

    2016-07-20

    This paper reports a single-step co-precipitation method for the fabrication of magnetic cellulose nanocrystals (MGCNCs) with high iron oxide nanoparticle content (∼51 wt % loading) adsorbed onto cellulose nanocrystals (CNCs). X-ray diffraction (XRD), Fourier transform infrared (FTIR), and Raman spectroscopic studies confirmed that the hydroxyl groups on the surface of CNCs (derived from the bamboo pulp) acted as anchor points for the adsorption of Fe3O4 nanoparticles. The fabricated MGCNCs have a high magnetic moment, which is utilized to orient the magnetoresponsive nanofillers in parallel or perpendicular orientations inside the polylactic acid (PLA) matrix. Magnetic-field-assisted directional alignment of MGCNCs led to the incorporation of anisotropic mechanical, thermal, and electrical properties in the fabricated PLA-MGCNC nanocomposites. Thermomechanical studies showed significant improvement in the elastic modulus and glass-transition temperature for the magnetically oriented samples. Differential scanning calorimetry (DSC) and XRD studies confirmed that the alignment of MGCNCs led to the improvement in the percentage crystallinity and, with the absence of the cold-crystallization phenomenon, finds a potential application in polymer processing in the presence of magnetic field. The tensile strength and percentage elongation for the parallel-oriented samples improved by ∼70 and 240%, respectively, and for perpendicular-oriented samples, by ∼58 and 172%, respectively, in comparison to the unoriented samples. Furthermore, its anisotropically induced electrical and magnetic properties are desirable for fabricating self-biased electronics products. We also demonstrate that the fabricated anisotropic PLA-MGCNC nanocomposites could be laminated into films with the incorporation of directionally tunable mechanical properties. Therefore, the current study provides a novel noninvasive approach of orienting nontoxic bioderived CNCs in the presence of low

  2. Magnetic Cellulose Nanocrystal Based Anisotropic Polylactic Acid Nanocomposite Films: Influence on Electrical, Magnetic, Thermal, and Mechanical Properties.

    PubMed

    Dhar, Prodyut; Kumar, Amit; Katiyar, Vimal

    2016-07-20

    This paper reports a single-step co-precipitation method for the fabrication of magnetic cellulose nanocrystals (MGCNCs) with high iron oxide nanoparticle content (∼51 wt % loading) adsorbed onto cellulose nanocrystals (CNCs). X-ray diffraction (XRD), Fourier transform infrared (FTIR), and Raman spectroscopic studies confirmed that the hydroxyl groups on the surface of CNCs (derived from the bamboo pulp) acted as anchor points for the adsorption of Fe3O4 nanoparticles. The fabricated MGCNCs have a high magnetic moment, which is utilized to orient the magnetoresponsive nanofillers in parallel or perpendicular orientations inside the polylactic acid (PLA) matrix. Magnetic-field-assisted directional alignment of MGCNCs led to the incorporation of anisotropic mechanical, thermal, and electrical properties in the fabricated PLA-MGCNC nanocomposites. Thermomechanical studies showed significant improvement in the elastic modulus and glass-transition temperature for the magnetically oriented samples. Differential scanning calorimetry (DSC) and XRD studies confirmed that the alignment of MGCNCs led to the improvement in the percentage crystallinity and, with the absence of the cold-crystallization phenomenon, finds a potential application in polymer processing in the presence of magnetic field. The tensile strength and percentage elongation for the parallel-oriented samples improved by ∼70 and 240%, respectively, and for perpendicular-oriented samples, by ∼58 and 172%, respectively, in comparison to the unoriented samples. Furthermore, its anisotropically induced electrical and magnetic properties are desirable for fabricating self-biased electronics products. We also demonstrate that the fabricated anisotropic PLA-MGCNC nanocomposites could be laminated into films with the incorporation of directionally tunable mechanical properties. Therefore, the current study provides a novel noninvasive approach of orienting nontoxic bioderived CNCs in the presence of low

  3. Interplay between the magnetic and magneto-transport properties of 3D interconnected nanowire networks

    NASA Astrophysics Data System (ADS)

    da Câmara Santa Clara Gomes, Tristan; De La Torre Medina, Joaquín; Velázquez-Galván, Yenni G.; Martínez-Huerta, Juan Manuel; Encinas, Armando; Piraux, Luc

    2016-07-01

    We have explored the interplay between the magnetic and magneto-transport properties of 3D interconnected nanowire networks made of various magnetic metals by electrodeposition into nanoporous membranes with crossed channels and controlled topology. The close relationship between their magnetic and structural properties has a direct impact on their magneto-transport behavior. In order to accurately and reliably describe the effective magnetic anisotropy and anisotropic magnetoresistance, an analytical model inherent to the topology of 3D nanowire networks is proposed and validated. The feasibility to obtain magneto-transport responses in nanowire network films based on interconnected nanowires makes them very attractive for the development of mechanically stable superstructures that are suitable for potential technological applications.

  4. Extremely large anisotropic transport caused by electronic phase separation in Ti-doped Ca3Ru2O7

    NASA Astrophysics Data System (ADS)

    Peng, Jin; Liu, J. Y.; Gu, Xiaomin; Zhou, Guotai; Wang, Wei; Hu, J.; Zhang, F. M.; Wu, X. S.

    2016-06-01

    In this paper, we reported an extremely large out-of-plane/in-plane anisotropic transport ({ρc}/{ρab} ~ 109) in double layer ruthenates. The mechanism that may be responsible for this phenomenon is also explored here. Distinct from previously well studied layered materials which show large out-of-plane/in-plane electronic anisotropy (103–106), the Ti-doped Ca3Ru2O7 single crystals not only form quasi-2D layered structure, but also show phase separation within the layers. We found that Ti doping in Ca3Ru2O7 induced electronic phase separation between the insulating phase and weak localized phase. The ratio of these two phases is very sensitive to the Ti concentration. At typical concentration, the weak localized phase may form a channel on the background of the insulating phase within the ab plane. However, the small volume of weak localized phase makes it less likely to overlap in different layers. This results in a much larger electronic anisotropy ratio than pristine compound Ca3Ru2O7. This new mechanism provides a route for further increase electronic anisotropy, which will remarkably reduce current leak and power consumption in electronic devices.

  5. Anisotropic thermoelectric properties of layered compounds in SnX2 (X = S, Se): a promising thermoelectric material.

    PubMed

    Sun, Bao-Zhen; Ma, Zuju; He, Chao; Wu, Kechen

    2015-11-28

    Thermoelectrics interconvert heat to electricity and are of great interest in waste heat recovery, solid-state cooling and so on. Here we assessed the potential of SnS2 and SnSe2 as thermoelectric materials at the temperature gradient from 300 to 800 K. Reflecting the crystal structure, the transport coefficients are highly anisotropic between a and c directions, in particular for the electrical conductivity. The preferred direction for both materials is the a direction in TE application. Most strikingly, when 800 K is reached, SnS2 can show a peak power factor (PF) of 15.50 μW cm(-1) K(-2) along the a direction, while a relatively low value (11.72 μW cm(-1) K(-2)) is obtained in the same direction of SnSe2. These values are comparable to those observed in thermoelectrics such as SnSe and SnS. At 300 K, the minimum lattice thermal conductivity (κmin) along the a direction is estimated to be about 0.67 and 0.55 W m(-1) K(-1) for SnS2 and SnSe2, respectively, even lower than the measured lattice thermal conductivity of Bi2Te3 (1.28 W m(-1) K(-1) at 300 K). The reasonable PF and κmin suggest that both SnS2 and SnSe2 are potential thermoelectric materials. Indeed, the estimated peak ZT can approach 0.88 for SnSe2 and a higher value of 0.96 for SnS2 along the a direction at a carrier concentration of 1.94 × 10(19) (SnSe2) vs. 2.87 × 10(19) cm(-3) (SnS2). The best ZT values in SnX2 (X = S, Se) are comparable to that in Bi2Te3 (0.8), a typical thermoelectric material. We hope that this theoretical investigation will provide useful information for further experimental and theoretical studies on optimizing the thermoelectric properties of SnX2 materials.

  6. Inverse estimation of the elastic and anelastic properties of the porous frame of anisotropic open-cell foams.

    PubMed

    Cuenca, Jacques; Göransson, Peter

    2012-08-01

    This paper presents a method for simultaneously identifying both the elastic and anelastic properties of the porous frame of anisotropic open-cell foams. The approach is based on an inverse estimation procedure of the complex stiffness matrix of the frame by performing a model fit of a set of transfer functions of a sample of material subjected to compression excitation in vacuo. The material elastic properties are assumed to have orthotropic symmetry and the anelastic properties are described using a fractional-derivative model within the framework of an augmented Hooke's law. The inverse estimation problem is formulated as a numerical optimization procedure and solved using the globally convergent method of moving asymptotes. To show the feasibility of the approach a numerically generated target material is used here as a benchmark. It is shown that the method provides the full frequency-dependent orthotropic complex stiffness matrix within a reasonable degree of accuracy.

  7. Towards a new multiscale air quality transport model using the fully unstructured anisotropic adaptive mesh technology of Fluidity (version 4.1.9)

    NASA Astrophysics Data System (ADS)

    Zheng, J.; Zhu, J.; Wang, Z.; Fang, F.; Pain, C. C.; Xiang, J.

    2015-10-01

    An integrated method of advanced anisotropic hr-adaptive mesh and discretization numerical techniques has been, for first time, applied to modelling of multiscale advection-diffusion problems, which is based on a discontinuous Galerkin/control volume discretization on unstructured meshes. Over existing air quality models typically based on static-structured grids using a locally nesting technique, the advantage of the anisotropic hr-adaptive model has the ability to adapt the mesh according to the evolving pollutant distribution and flow features. That is, the mesh resolution can be adjusted dynamically to simulate the pollutant transport process accurately and effectively. To illustrate the capability of the anisotropic adaptive unstructured mesh model, three benchmark numerical experiments have been set up for two-dimensional (2-D) advection phenomena. Comparisons have been made between the results obtained using uniform resolution meshes and anisotropic adaptive resolution meshes. Performance achieved in 3-D simulation of power plant plumes indicates that this new adaptive multiscale model has the potential to provide accurate air quality modelling solutions effectively.

  8. Analysis of an anisotropic coastal aquifer system using variable-density flow and solute transport simulation

    USGS Publications Warehouse

    Souza, W.R.; Voss, C.I.

    1987-01-01

    The groundwater system in southern Oahu, Hawaii consists of a thick, areally extensive freshwater lens overlying a zone of transition to a thick saltwater body. This system is analyzed in cross section with a variable-density groundwater flow and solute transport model on a regional scale. The simulation is difficult, because the coastal aquifer system has a saltwater transition zone that is broadly dispersed near the discharge area, but is very sharply defined inland. Steady-state simulation analysis of the transition zone in the layered basalt aquifer of southern Oahu indicates that a small transverse dispersivity is characteristic of horizontal regional flow. Further, in this system flow is generally parallel to isochlors and steady-state behavior is insensitive to the longitudinal dispersivity. Parameter analysis identifies that only six parameters control the complex hydraulics of the system: horizontal and vertical hydraulic conductivity of the basalt aquifer; hydraulic conductivity of the confining "caprock" layer; leakance below the caprock; specific yield; and aquifer matrix compressibility. The best-fitting models indicate the horizontal hydraulic conductivity is significantly greater than the vertical hydraulic conductivity. These models give values for specific yield and aquifer compressibility which imply a considerable degree of compressive storage in the water table aquifer. ?? 1987.

  9. An analytical model of anisotropic low-field electron mobility in wurtzite indium nitride

    NASA Astrophysics Data System (ADS)

    Wang, Shulong; Liu, Hongxia; Song, Xin; Guo, Yulong; Yang, Zhaonian

    2014-03-01

    This paper presents a theoretical analysis of anisotropic transport properties and develops an anisotropic low-field electron analytical mobility model for wurtzite indium nitride (InN). For the different effective masses in the Γ-A and Γ-M directions of the lowest valley, both the transient and steady state transport behaviors of wurtzite InN show different transport characteristics in the two directions. From the relationship between velocity and electric field, the difference is more obvious when the electric field is low in the two directions. To make an accurate description of the anisotropic transport properties under low field, for the first time, we present an analytical model of anisotropic low-field electron mobility in wurtzite InN. The effects of different ionized impurity scattering models on the low-field mobility calculated by Monte Carlo method (Conwell-Weisskopf and Brooks-Herring method) are also considered.

  10. ANALYTIC SOLUTIONS FOR CURRENT SHEET STRUCTURE DETERMINED BY SELF-CONSISTENT, ANISOTROPIC TRANSPORT PROCESSES IN A GRAVITATIONAL FIELD

    SciTech Connect

    Goodman, Michael L.

    2011-04-10

    A Harris sheet magnetic field with maximum magnitude B{sub 0} and length scale L is combined with the anisotropic electrical conductivity, viscosity, and thermoelectric tensors for an electron-proton plasma to define a magnetohydrodynamic model that determines the steady state of the plasma. The transport tensors are functions of temperature, density, and magnetic field strength, and are computed self-consistently as functions of position x normal to the current sheet. The flow velocity, magnetic field, and gravitational force lie along the z-axis. The plasma is supported against gravity by the viscous force. Analytic solutions are obtained for temperature, density, and velocity. They are valid over a broad range of temperature, density, and magnetic field strength, and so may be generally useful in astrophysical applications. Numerical examples of solutions in the parameter range of the solar atmosphere are presented. The objective is to compare Joule and viscous heating rates, determine the velocity shear that generates viscous forces that support the plasma and are self-consistent with a mean outward mass flux comparable to the solar wind mass flux, and compare the thermoelectric and conduction current contributions to the Joule heating rate. The ratio of the viscous to Joule heating rates per unit mass can exceed unity by orders of magnitude, and increases rapidly with L. The viscous heating rate can be concentrated outside the region where the current density is localized, corresponding to a resistively heated layer of plasma bounded by viscously heated plasma. The temperature gradient drives a thermoelectric current density that can have a magnitude greater than that of the electric-field-driven conduction current density, so thermoelectric effects are important in determining the Joule heating rate.

  11. Anisotropic Thermal and Electrical Properties of Thin Thermal Interface Layers of Graphite Nanoplatelet-Based Composites

    PubMed Central

    Tian, Xiaojuan; Itkis, Mikhail E.; Bekyarova, Elena B.; Haddon, Robert C.

    2013-01-01

    Thermal interface materials (TIMs) are crucial components of high density electronics and the high thermal conductivity of graphite makes this material an attractive candidate for such applications. We report an investigation of the in-plane and through-plane electrical and thermal conductivities of thin thermal interface layers of graphite nanoplatelet (GNP) based composites. The in-plane electrical conductivity exceeds its through-plane counterpart by three orders of magnitude, whereas the ratio of the thermal conductivities is about 5. Scanning electron microscopy reveals that the anisotropy in the transport properties is due to the in-plane alignment of the GNPs which occurs during the formation of the thermal interface layer. Because the alignment in the thermal interface layer suppresses the through-plane component of the thermal conductivity, the anisotropy strongly degrades the performance of GNP-based composites in the geometry required for typical thermal management applications and must be taken into account in the development of GNP-based TIMs.

  12. Anisotropic Hydraulic Permeability Under Finite Deformation

    PubMed Central

    Ateshian, Gerard A.; Weiss, Jeffrey A.

    2011-01-01

    The structural organization of biological tissues and cells often produces anisotropic transport properties. These tissues may also undergo large deformations under normal function, potentially inducing further anisotropy. A general framework for formulating constitutive relations for anisotropic transport properties under finite deformation is lacking in the literature. This study presents an approach based on representation theorems for symmetric tensor-valued functions and provides conditions to enforce positive semi-definiteness of the permeability or diffusivity tensor. Formulations are presented which describe materials that are orthotropic, transversely isotropic, or isotropic in the reference state, and where large strains induce greater anisotropy. Strain-induced anisotropy of the permeability of a solid-fluid mixture is illustrated for finite torsion of a cylinder subjected to axial permeation. It is shown that, in general, torsion can produce a helical flow pattern, rather than the rectilinear pattern observed when adopting a more specialized, unconditionally isotropic spatial permeability tensor commonly used in biomechanics. The general formulation presented in this study can produce both affine and non-affine reorientation of the preferred directions of material symmetry with strain, depending on the choice of material functions. This study addresses a need in the biomechanics literature by providing guidelines and formulations for anisotropic strain-dependent transport properties in porous-deformable media undergoing large deformations. PMID:21034145

  13. On Dispersive Properties of the Photon-Density Waves in an Anisotropic Scattering Medium

    NASA Astrophysics Data System (ADS)

    Luchinin, A. G.; Dolin, L. S.

    2016-07-01

    We study frequency dependences of the phase and group velocities of the photon-density waves in an anisotropic scattering turbid medium of the sea water type. It is shown that such a medium has an anomalous dispersion in relation to these waves, and their phase and group velocities are functions of the distance to a radiation source. The possibility of time focusing of the photondensity waves is considered for a linear frequency modulation of the radiated pulse. It is shown that full compression of the modulated signal is not achievable due to the frequency dependence of the refractive index of the photon-density wave. The degree of compression of the chirp signals with different parameters has been estimated.

  14. Anisotropic elastic properties of flexible metal-organic frameworks: how soft are soft porous crystals?

    PubMed

    Ortiz, Aurélie U; Boutin, Anne; Fuchs, Alain H; Coudert, François-Xavier

    2012-11-01

    We performed ab initio calculations of the elastic constants of five flexible metal-organic frameworks (MOFs): MIL-53(Al), MIL-53(Ga), MIL-47, and the square and lozenge structures of DMOF-1. Tensorial analysis of the elastic constants reveals a highly anisotropic elastic behavior, some deformation directions exhibiting very low Young's modulus and shear modulus. This anisotropy can reach a 400:1 ratio between the most rigid and weakest directions, in stark contrast to the case of nonflexible MOFs such as MOF-5 and ZIF-8. In addition, we show that flexible MOFs can display extremely large negative linear compressibility. These results uncover the microscopic roots of stimuli-induced structural transitions in flexible MOFs, by linking the local elastic behavior of the material and its multistability. PMID:23215398

  15. Anisotropic Elastic Properties of Flexible Metal-Organic Frameworks: How Soft are Soft Porous Crystals?

    NASA Astrophysics Data System (ADS)

    Ortiz, Aurélie U.; Boutin, Anne; Fuchs, Alain H.; Coudert, François-Xavier

    2012-11-01

    We performed ab initio calculations of the elastic constants of five flexible metal-organic frameworks (MOFs): MIL-53(Al), MIL-53(Ga), MIL-47, and the square and lozenge structures of DMOF-1. Tensorial analysis of the elastic constants reveals a highly anisotropic elastic behavior, some deformation directions exhibiting very low Young’s modulus and shear modulus. This anisotropy can reach a 400∶1 ratio between the most rigid and weakest directions, in stark contrast to the case of nonflexible MOFs such as MOF-5 and ZIF-8. In addition, we show that flexible MOFs can display extremely large negative linear compressibility. These results uncover the microscopic roots of stimuli-induced structural transitions in flexible MOFs, by linking the local elastic behavior of the material and its multistability.

  16. Thermodynamic and transport properties of gaseous tetrafluoromethane in chemical equilibrium

    NASA Technical Reports Server (NTRS)

    Hunt, J. L.; Boney, L. R.

    1973-01-01

    Equations and in computer code are presented for the thermodynamic and transport properties of gaseous, undissociated tetrafluoromethane (CF4) in chemical equilibrium. The computer code calculates the thermodynamic and transport properties of CF4 when given any two of five thermodynamic variables (entropy, temperature, volume, pressure, and enthalpy). Equilibrium thermodynamic and transport property data are tabulated and pressure-enthalpy diagrams are presented.

  17. Transport properties of individual C60-molecules

    NASA Astrophysics Data System (ADS)

    Géranton, G.; Seiler, C.; Bagrets, A.; Venkataraman, L.; Evers, F.

    2013-12-01

    Electrical and thermal transport properties of C60 molecules are investigated with density-functional-theory based calculations. These calculations suggest that the optimum contact geometry for an electrode terminated with a single-Au atom is through binding to one or two C-atoms of C60 with a tendency to promote the sp2-hybridization into an sp3-type one. Transport in these junctions is primarily through an unoccupied molecular orbital that is partly hybridized with the Au, which results in splitting the degeneracy of the lowest unoccupied molecular orbital triplet. The transmission through these junctions, however, cannot be modeled by a single Lorentzian resonance, as our results show evidence of quantum interference between an occupied and an unoccupied orbital. The interference results in a suppression of conductance around the Fermi energy. Our numerical findings are readily analyzed analytically within a simple two-level model.

  18. Ellipsometric characterization and density-functional theory analysis of anisotropic optical properties of single-crystal α-SnS

    SciTech Connect

    Banai, R. E.; Brownson, J. R. S.; Burton, L. A.; Walsh, A.; Choi, S. G. To, B.; Hofherr, F.; Sorgenfrei, T.; Cröll, A.

    2014-07-07

    We report on the anisotropic optical properties of single-crystal tin monosulfide (SnS). The components ε{sub a}, ε{sub b}, and ε{sub c} of the pseudodielectric-function tensor (ε)=(ε₁)+i(ε₂) spectra are taken from 0.73 to 6.45 eV by spectroscopic ellipsometry. The measured (ε) spectra are in a good agreement with the results of the calculated dielectric response from hybrid density functional theory. The (ε) spectra show the direct band-gap onset and a total of eight above-band-gap optical structures that are associated with the interband-transition critical points (CPs). We obtain accurate CP energies by fitting analytic CP expressions to second-energy-derivatives of the (ε) data. Their probable electronic origins and implications for photovoltaic applications are discussed.

  19. Complex polarization ratio to determine polarization properties of anisotropic tissue using polarization-sensitive optical coherence tomography

    PubMed Central

    Park, Jesung; Kemp, Nate J.; Rylander, H. Grady; Milner, Thomas E.

    2009-01-01

    Complex polarization ratio (CPR) in materials with birefringence and biattenuance is shown as a logarithmic spiral in the complex plane. A multi-state Levenberg-Marquardt nonlinear fitting algorithm using the CPR trajectory collected by polarization sensitive optical coherence tomography (PS-OCT) was developed to determine polarization properties of an anisotropic scattering medium. The Levenberg-Marquardt nonlinear fitting algorithm using the CPR trajectory is verified using simulated PS-OCT data with speckle noise. Birefringence and biattenuance of a birefringent film, ex-vivo rodent tail tendon and in-vivo primate retinal nerve fiber layer were determined using measured CPR trajectories and the Levenberg-Marquardt nonlinear fitting algorithm. PMID:19654746

  20. Electronic transport properties of silicon clusters

    NASA Astrophysics Data System (ADS)

    Matsuura, Yukihito

    2016-02-01

    The electronic transport properties of silicon clusters were examined via theoretical calculations using the first-principles method. Additionally, p-type doping and n-type doping were analyzed by calculating conductance and current of boron- and phosphorus-doped silicon clusters. The p-type doping and n-type doping provided a new transmission peak at an energy level around the Fermi level to increase conductance. Furthermore, simultaneous boron and phosphorus doping resulted in noticeable rectifying characteristics, with the current drive in forward bias being three times higher than that in the reverse bias. A p-n junction was achieved even on a molecular scale.

  1. The influence of thermophysical properties of an anisotropic heat-element substrate on the value of thermal emf in the stationary thermal mode

    NASA Astrophysics Data System (ADS)

    Bobashev, S. V.; Popov, P. A.; Reznikov, B. I.; Sakharov, V. A.

    2016-05-01

    Thermal and thermoelectric processes in anisotropic heat elements located on substrates made of different materials have been numerically simulated. It is shown that, when an invariable heat flux passes through a heat element, the thermophysical properties of the substrate and heat transfer coefficient at its rear surface affect significantly the temperature distribution and the value of generated thermal emf.

  2. An Efficient Mesh for Wavefront Construction Methods and its Numerical Properties for Anisotropic Media

    NASA Astrophysics Data System (ADS)

    Lee, K.; Gibson, R. L.

    2002-12-01

    The wavefront construction method is an efficient way to model wave propagation in anisotropic media. This method is based on asymptotic ray theory, and it explicitly tracks the propagation of wavefronts through the earth model. The first step is to trace a fan of rays through the earth model, initializing the wavefront by constructing a mesh from the set of all ray points at a specified travel time. The wavefront is thus a mesh composed of quadrilateral cells defined by four neighboring rays. Rays are computed by kinematic ray tracing using Runge-Kutta methods. The basic geometry, or coordinate system, used to select the rays comprising the initial mesh has significant affects on the precision and performance of the numerical calculation. A common approach is to trace rays with regular increments in the azimuthal and declination takeoff angles. These two angles, along with travel time, define a ray coordinate system that is commonly used for implementations of conventional ray tracing for wavefront construction schemes. While the ray coordinate system is straightforward to implement and has been used extensively, it has some drawbacks (Gibson et al., 2002). The most important is that the derivatives of Cartesian coordinates on the ray with respect to the azimuthal takeoff angle vanish near the poles of the coordinate system, leading to potential numerical errors. Our implementation applies paraxial methods, and the poor estimates of derivatives can seriously degrade the performance of the algorithm. Also, specifying an initial ray field with even increments in takeoff angles leads to large concentrations of rays near the poles, which is numerically inefficient. To overcome these important limitations of the ray coordinate system, we apply a new mesh generation algorithm that utilizes a cubic gnomonic mesh. A cubic gnomonic mesh maps points chosen at regular intervals on the surface of a cube surrounding the source point to the focal sphere. In essence, the initial

  3. Electronic, transport, and optical properties of bulk and mono-layer PdSe2

    SciTech Connect

    Sun, Jifeng; Shi, Hongliang; Siegrist, Theo; Singh, David J.

    2015-10-13

    In this study, the electronic and optical properties of bulk and monolayer PdSe2 are investigated using firstprinciples calculations. Using the modified Becke-Johnson potential, we find semiconductor behavior for both bulk and monolayer PdSe2 with indirect gap values of 0.03 eV for bulk and 1.43 eV for monolayer, respectively. Our sheet optical conductivity results support this observation and show similar anisotropic feature in the 2D plane. We further study the thermoelectric properties of the 2D PdSe2 using Blotzmann transport model and find interestingly high Seebeck coefficients (>200 μV/K) for both p- and n-type up to high doping level (–2 x 1013 cm2) with an anisotropic character in an electrical conductivity suggesting better thermoelectric performance along y direction in the plane.V

  4. NMR Properties of the Polar Phase of Superfluid ^3He in Anisotropic Aerogel Under Rotation

    NASA Astrophysics Data System (ADS)

    Mineev, V. P.

    2016-09-01

    The polar phase of superfluid ^3He is stable in "nematically ordered" densed aerogel. A rotating vessel with the polar superfluid can be filled either by an array of the single quantum vortices or by an array of the half-quantum vortices. It is shown that the inhomogeneous distribution of the spin part of the order parameter arising in an array of half-quantum vortices in strong enough magnetic field tilted to the average direction of aerogel strands leads to the appearance of a satellite in the NMR signal shifted in the negative direction with respect to the Larmor frequency. The satellite is absent in the case of an array of single quantum vortices which allows to distinguish these two configurations. The polar state in the anisotropic aerogel with lower density transforms at lower temperatures to the axipolar state. The array of half-quantum vortices created in the polar phase keeps its structure under transition to the axipolar state. The temperature dependence of the vortex-satellite NMR frequency is found to be slower below the transition temperature to the axipolar state.

  5. Structural, dynamic, and transport properties of concentrated aqueous sodium chloride solutions under an external static electric field.

    PubMed

    Ren, Gan; Shi, Rui; Wang, Yanting

    2014-04-24

    In the absence of an external electric field, it has already been known that ion clusters are formed instantaneously in moderately concentrated ionic solutions. In this work, we use molecular dynamics (MD) simulations to investigate the changes of structural, dynamic, and transport properties in a sodium chloride solution under an external electric field from the ion cluster perspective. Our MD simulation results indicate that, with a strong external electric field E (≥0.1 V/nm) applied, ion clusters become smaller and less net charged, and the structures and dynamics as well as transport properties of the ion solution become anisotropic. The influence of the cluster structure and shell structure to transport properties was analyzed and the Einstein relation was found invalid in this system.

  6. Electronic transport properties of (fluorinated) metal phthalocyanine

    NASA Astrophysics Data System (ADS)

    Fadlallah, M. M.; Eckern, U.; Romero, A. H.; Schwingenschlögl, U.

    2016-01-01

    The magnetic and transport properties of the metal phthalocyanine (MPc) and F16MPc (M = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn and Ag) families of molecules in contact with S-Au wires are investigated by density functional theory within the local density approximation, including local electronic correlations on the central metal atom. The magnetic moments are found to be considerably modified under fluorination. In addition, they do not depend exclusively on the configuration of the outer electronic shell of the central metal atom (as in isolated MPc and F16MPc) but also on the interaction with the leads. Good agreement between the calculated conductance and experimental results is obtained. For M = Ag, a high spin filter efficiency and conductance is observed, giving rise to a potentially high sensitivity for chemical sensor applications.

  7. Transport properties of quark and gluon plasmas

    SciTech Connect

    Heiselberg, H.

    1993-12-01

    The kinetic properties of relativistic quark-gluon and electron-photon plasmas are described in the weak coupling limit. The troublesome Rutherford divergence at small scattering angles is screened by Debye screening for the longitudinal or electric part of the interactions. The transverse or magnetic part of the interactions is effectively screened by Landau damping of the virtual photons and gluons transferred in the QED and QCD interactions respectively. Including screening a number of transport coefficients for QCD and QED plasmas can be calculated to leading order in the interaction strength, including rates of momentum and thermal relaxation, electrical conductivity, viscosities, flavor and spin diffusion of both high temperature and degenerate plasmas. Damping of quarks and gluons as well as color diffusion in quark-gluon plasmas is, however, shown not to be sufficiently screened and the rates depends on an infrared cut-off of order the ``magnetic mass,`` m{sub mag} {approximately} g{sup 2}T.

  8. An anisotropic character of nonlinear fluxes not involved in the plasma energy transport in the Hasegawa-Wakatani model

    NASA Astrophysics Data System (ADS)

    Min, Byunghoon; An, Chan-Yong; Kim, Chang-Bae; Lee, Gun Bok

    2015-04-01

    Fluxes of both the vorticity and the plasma density due to the nonlinear E × B convective derivatives are divided into two parts. One part, which is almost isotropic, is well known to engage in the transfer of energies from the energy-producing scale where the phase mismatch between the density and the electric potential is large. The other part, in the Fourier space , is found to be highly anisotropic. If it is summed over k y , the result is nearly random around zero in k x while the sum over k x is approximately proportional to k y . In Fourier space, such anisotropic fluxes are found to be closely related to the gradients of the squares of the vorticity and the electric potential, respectively. We argue that the advecting velocities in Fourier space may be predicted on dimensional grounds.

  9. Electrical transport properties of silicon surfaces

    NASA Astrophysics Data System (ADS)

    Yoo, Kwonjae

    The understanding and utilization of electronic transport phenomena in low-dimensional, quantum-confined structures is of enormous scientific and technological interest. We have studied the electrical transport properties of systems that are quantum confined in one dimension but periodic in the other two dimensions, namely surfaces and ultrathin film materials. The electrical conductance of atomically clean, reconstructed silicon surfaces and interfaces was measured as a function of temperature in ultrahigh vacuum using the classical four-point probe technique. We employed Silicon on Insulator (SOI) technology to enhance the surface sensitivity of the four-point probe measurements. High-quality ohmic contacts were fabricated using ion-implantation. The Si(100)2 x 1 surface reconstruction consists of a two-dimensional, anti-ferromagnetic c(4 x 2) array of buckled silicon dimers. The surface undergoes a c(4 x 2) → 2 x 1 order-disorder transition near T = 200 K. Above 200 K, dimers fluctuate rapidly and the long-range c(4 x 2) ordering is destroyed. The conductance of this two-dimensional system has a temperature-dependence that is characteristic of a metal. The surface conductance appears closely correlated with the order parameter of the low-temperature c(4 x 2) structure. Thermally activated flip-flop motion of the Si dimers thus appears to be the dominant scattering mechanism. Recent high-resolution photoemission experiments indicate that the Si(111)7 x 7 surface reconstruction is a two-dimensional, correlated metal. The surface electrical conductivity decreases with increasing temperature, thus confirming metallic transport. However, conductivity measurements on ultrathin SOI indicate insulating behavior. The origin of this discrepancy is not understood and requires further investigation of the sheet conductance as a function of the SOI layer thickness. The Ga/Si(112) interface consists of a self-assembled, mesoscopic array of atomic Ga wires on a high-index Si

  10. Documentation and verification of VST2D; a model for simulating transient, Variably Saturated, coupled water-heat-solute Transport in heterogeneous, anisotropic 2-Dimensional, ground-water systems with variable fluid density

    USGS Publications Warehouse

    Friedel, Michael J.

    2001-01-01

    This report describes a model for simulating transient, Variably Saturated, coupled water-heatsolute Transport in heterogeneous, anisotropic, 2-Dimensional, ground-water systems with variable fluid density (VST2D). VST2D was developed to help understand the effects of natural and anthropogenic factors on quantity and quality of variably saturated ground-water systems. The model solves simultaneously for one or more dependent variables (pressure, temperature, and concentration) at nodes in a horizontal or vertical mesh using a quasi-linearized general minimum residual method. This approach enhances computational speed beyond the speed of a sequential approach. Heterogeneous and anisotropic conditions are implemented locally using individual element property descriptions. This implementation allows local principal directions to differ among elements and from the global solution domain coordinates. Boundary conditions can include time-varying pressure head (or moisture content), heat, and/or concentration; fluxes distributed along domain boundaries and/or at internal node points; and/or convective moisture, heat, and solute fluxes along the domain boundaries; and/or unit hydraulic gradient along domain boundaries. Other model features include temperature and concentration dependent density (liquid and vapor) and viscosity, sorption and/or decay of a solute, and capability to determine moisture content beyond residual to zero. These features are described in the documentation together with development of the governing equations, application of the finite-element formulation (using the Galerkin approach), solution procedure, mass and energy balance considerations, input requirements, and output options. The VST2D model was verified, and results included solutions for problems of water transport under isohaline and isothermal conditions, heat transport under isobaric and isohaline conditions, solute transport under isobaric and isothermal conditions, and coupled water

  11. Theoretical study on transport properties of topological states of matter

    NASA Astrophysics Data System (ADS)

    Hsu, Hsiu-Chuan

    In condensed matter physics, states of matter are usually classified by symmetry. Topological states of matter describe new quantum states of matter that cannot adiabatically connect to conventional states of matter even though they share the same symmetry. Thus, the discovery of topological states of matter has opened a new research era and attracted intensive research interests in recent years. This dissertation is devoted to the theoretical and numerical study of transport properties of topological states of matter, mainly focusing on two topological systems, time reversal invariant topological insulator nano-structures and the quantum anomalous Hall insulators. The first system studied in this dissertation is time reversal invariant topological insulator, which is an insulating material behaving as an insulator in its interior but with conducting channels on its surface. The conducting surface states of a topological insulator are known as "helical states" due to the spin texture in the momentum space and protected by time reversal symmetry. Helical surface states have been observed in surface sensitive experiments, such as angular-resolved photon emission spectroscopy and scanning tunneling microscopy. However, signatures of topological surface states in transport measurements are complicated by the dominating conduction from bulk channels and strong disorder effect. Therefore, in this dissertation, we numerically study transport in disordered topological insulator nano-structures, e.g. nanowires and nanotubes, which possess a larger surfaceto-volume ratio compared to bulk systems. For a topological insulator nanowire, it is found that a gapless mode with linear dispersion, which is refered to as a topological state in the main text, arises when a half-integer magnetic flux quantum is inserted along the nanowire. We find that topological states possess a longer localization length than other non-topological states. Thus, for a long nanowire or nanotube, a

  12. Dynamics of Anisotropic Universes

    NASA Astrophysics Data System (ADS)

    Perez, Jérôme

    2006-11-01

    We present a general study of the dynamical properties of Anisotropic Bianchi Universes in the context of Einstein General Relativity. Integrability results using Kovalevskaya exponents are reported and connected to general knowledge about Bianchi dynamics. Finally, dynamics toward singularity in Bianchi type VIII and IX universes are showed to be equivalent in some precise sence.

  13. Transport properties of supercooled confined water

    NASA Astrophysics Data System (ADS)

    Mallamace, F.; Branca, C.; Broccio, M.; Corsaro, C.; Gonzalez-Segredo, N.; Spooren, J.; Stanley, H. E.; Chen, S.-H.

    2008-07-01

    This article presents an overview of recent experiments performed on transport properties of water in the deeply supercooled region, a temperature region of fundamental importance in the science of water. We report data of nuclear magnetic resonance, quasi-elastic neutron scattering, Fourier-transform infrared spectroscopy, and Raman spectroscopy, studying water confined in nanometer-scale environments. When contained within small pores, water does not crystallise, and can be supercooled well below its homogeneous nucleation temperature Th. On this basis it is possible to carry out a careful analysis of the well known thermodynamical anomalies of water. Studying the temperature and pressure dependencies of water dynamics, we show that the liquid-liquid phase transition (LLPT) hypothesis represents a reliable model for describing liquid water. In this model, water in the liquid state is a mixture of two different local structures, characterised by different densities, namely the low density liquid (LDL) and the high-density liquid (HDL). The LLPT line should terminate at a special transition point: a low-T liquid-liquid critical point. We discuss the following experimental findings on liquid water: (i) a crossover from non-Arrhenius behaviour at high T to Arrhenius behaviour at low T in transport parameters; (ii) a breakdown of the Stokes-Einstein relation; (iii) the existence of a Widom line, which is the locus of points corresponding to maximum correlation length in the p-T phase diagram and which ends in the liquid-liquid critical point; (iv) the direct observation of the LDL phase; (v) a minimum in the density at approximately 70 K below the temperature of the density maximum. In our opinion these results represent the experimental proofs of the validity of the LLPT hypothesis.

  14. Hydrostatic pressure effect on charge transport properties of phenacene organic semiconductors.

    PubMed

    Nguyen, Thao P; Shim, Ji Hoon

    2016-05-18

    We investigate the charge transport properties of phenacene organic semiconductors including phenanthrene, chrysene and picene using density functional theory (DFT) calculations under hydrostatic pressure. Under compression, the crystal structures of the three materials are altered and thus, a decrease in the intermolecular distances gives changes in charge transport properties while the molecular structures remain stable. As a result of the applied pressure, the mobilities of these materials increase dramatically. Chrysene shows a transition from a p-type semiconductor to an ambipolar semiconductor at around 2.0 GPa. Interestingly, chrysene favors electron transport at above 3.0 GPa. On the other hand, both phenanthrene and picene exhibit hole transport characteristics under high pressure. Between 3.1 and 4.3 GPa, the picene crystal is found to transform from an anisotropic mobility to an isotropic mobility in the ab plane. We also found that, the bulk modulus representing the resistance of the material under pressure compression follows a linear relationship with molecular length. PMID:27146786

  15. Anisotropic ray trace

    NASA Astrophysics Data System (ADS)

    Lam, Wai Sze Tiffany

    Optical components made of anisotropic materials, such as crystal polarizers and crystal waveplates, are widely used in many complex optical system, such as display systems, microlithography, biomedical imaging and many other optical systems, and induce more complex aberrations than optical components made of isotropic materials. The goal of this dissertation is to accurately simulate the performance of optical systems with anisotropic materials using polarization ray trace. This work extends the polarization ray tracing calculus to incorporate ray tracing through anisotropic materials, including uniaxial, biaxial and optically active materials. The 3D polarization ray tracing calculus is an invaluable tool for analyzing polarization properties of an optical system. The 3x3 polarization ray tracing P matrix developed for anisotropic ray trace assists tracking the 3D polarization transformations along a ray path with series of surfaces in an optical system. To better represent the anisotropic light-matter interactions, the definition of the P matrix is generalized to incorporate not only the polarization change at a refraction/reflection interface, but also the induced optical phase accumulation as light propagates through the anisotropic medium. This enables realistic modeling of crystalline polarization elements, such as crystal waveplates and crystal polarizers. The wavefront and polarization aberrations of these anisotropic components are more complex than those of isotropic optical components and can be evaluated from the resultant P matrix for each eigen-wavefront as well as for the overall image. One incident ray refracting or reflecting into an anisotropic medium produces two eigenpolarizations or eigenmodes propagating in different directions. The associated ray parameters of these modes necessary for the anisotropic ray trace are described in Chapter 2. The algorithms to calculate the P matrix from these ray parameters are described in Chapter 3 for

  16. Geometrical and transport properties of Bentheimer sandstone under deformation

    NASA Astrophysics Data System (ADS)

    Jasinski, Lukasz; Thovert, Jean Francois; Mourzenko, Valeri; Gland, Nicolas; Youssef, Souhail; Vizika, Olga; Adler, Pierre

    2010-05-01

    During industrial, geoscientific or environmental drilling campaigns, rock samples are often extracted few km below surface under large pressures p and their in situ properties may significantly differ from the ones measured in the lab close to atmospheric pressure p_a. Our first objective is to derive from measurements made at pa the geometric and transport properties at p. In petroleum industry, during production, the vertical effective stress in the reservoir increases as the pore pressure decreases from few hundreds to few tens bar; in average the horizontal effective stress increases as well, but at a lower rate along an oedometric path, favoring shear stress and reservoir depletion; a complex geology induces locally a variety of stress paths between the two extreme hydrostatic and uniaxial paths. For storage, CO2 might be injected into deep geological formations; such a re-injection will decrease the effective stress. Therefore, our second objective is to test numerically the sensitivity of transport properties to stress path. The methodology can be summarized as follows. First, the rock geometry on the pore scale is obtained by microtomography. The major geometric characteristics are derived by extracting the pore skeleton. Second, the sample is submitted to hydrostatic, oedometric or uniaxial deformations. Then, the permeability K is derived by routines based on finite volume discretization operating on cubic or on unstructured tetrahedral elements. This methodology is applied to a real Bentheimer sandstone of porosity E close to 0.23-0.24. It is binarized with 5003 and 10003 voxels equal to 6 and 3 microns. E, the correlation function, the specific area, the hydraulic radius, the skeleton and the percolation properties of the pore space are calculated. The influence of various boundary conditions on K in the uncompressed sample is studied; K is slightly anisotropic. Then, the sample is submitted to the overall deformations and the influence of the loading

  17. Geometrical and transport properties of Bentheimer sandstone under deformation

    NASA Astrophysics Data System (ADS)

    Jasinski, L.; Mourzenko, V.; Thovert, J.; Gland, N.; Youssef, S.; Vizika, O.; Adler, P. M.

    2009-12-01

    During industrial, geoscientific or environmental drilling campaigns, rock samples are often extracted few km below surface under large pressures p and their in situ properties may significantly differ from the ones measured in the lab close to atmospheric pressure p_a. Our first objective is to derive from measurements made at p_a the geometric and transport properties at p. In petroleum industry, during production, the vertical effective stress in the reservoir increases as the pore pressure decreases from few hundreds to few tens bar; in average the horizontal effective stress increases as well, but at a lower rate along an oedometric path, favoring shear stress and reservoir depletion; a complex geology induces locally a variety of stress paths between the two extreme hydrostatic and uniaxial paths. For storage, CO2 might be injected into deep geological formations; such a re-injection will decrease the effective stress. Therefore, our second objective is to test numerically the sensitivity of transport properties to stress path. The methodology can be summarized as follows. First, the rock geometry on the pore scale is obtained by microtomography. The major geometric characteristics are derived by extracting the pore skeleton. Second, the sample is submitted to hydrostatic, oedometric or uniaxial deformations. Then, the permeability K is derived by routines based on finite volume discretization operating on cubic or on unstructured tetrahedral elements. This methodology is applied to a real Bentheimer sandstone of porosity E close to 0.23-0.24. It is binarized with 500^3 and 1000^3 voxels equal to 6 and 3 microns. E, the correlation function, the specific area, the hydraulic radius, the skeleton and the percolation properties of the pore space are calculated. The influence of various boundary conditions on K in the uncompressed sample is studied; K is slightly anisotropic. Then, the sample is submitted to the overall deformations and the influence of the

  18. The anisotropic nature of the superconducting properties of single crystal Y 1Ba 2Cu 3O 7 - x

    NASA Astrophysics Data System (ADS)

    Worthington, T. K.; Gallagher, W. J.; Kaiser, D. L.; Holtzberg, F. H.; Dinger, T. R.

    1988-06-01

    A series of noncontact magnetic measurements on high-quality single crystals of Y 1Ba 2Cu 3O 7 - x have enabled us to demonstrate that the superconducting-state properties of Y 1Ba 2Cu 3O 7 - x are those of a conventional, anisotropic superconductor with the anisotropy being associated with the highly conducting Cu sbnd O sheets in the Y 1Ba 2Cu 3O 7 - x crystal structure. The anisotropy in the superconducting state is reflected most strongly in the critical current anisotropy, which is as large as 20 to 1 at low temperatures and low fields and gets arbitrarily large at higher temperatures and higher fields. The upper critical field H C2 shows an anisotropy that varies from 6:1 to 10:1 in different crystals of high quality. Along the copper-oxygen sheets the upper critical field is enormous, extrapolating to ∼60 Tesla by 77 K and implying a low-temperature Ginzburg-Landau coherence length normal to the layers of 2Å- 4Å. Strong upward curvature is evident in the H C2 data in both orientations of applied field. This curvature can be interpreted in terms of thermodynamic fluctuations, and, if this explanation is correct, the critical region is enormous, extending more than 25 K below T C.

  19. Magnetic properties of cubic FeCo nanoparticles with anisotropic long chain structure

    NASA Astrophysics Data System (ADS)

    Liu, Jinming; Wu, Kai; Wang, Jian-Ping

    2016-05-01

    Cubic FeCo alloy nanoparticles (NPs) with body-centered cubic (bcc) phase were prepared using sputter based gas-condensation method. When the NPs formed long chain assemblies, the magnetic properties were quite different from that of well-dispersed NPs. Most of the well-dispersed NPs were superparamagnetic at room temperature while the long chain NP assemblies were ferromagnetic with coercivities around 765 Oe, which displayed quite different magnetic properties. The ferromagnetism of long chain NPs was from the exchange coupling between NPs, which eventually led to the transition from superparamagnetism (SPM) to superferromagetism (SFM). Zero-field-cooled (ZFC) and field-cooled (FC) curves were obtained and long chain NP assemblies displayed ferromagnetism at the temperature ranging from 10 K to 400 K. Time-dependent remanent magnetic moment curves also indicated that the long chain structure had better thermal stability due to the strong exchange coupling.

  20. Field-dependent anisotropic microrheological and microstructural properties of dilute ferrofluids.

    PubMed

    Yendeti, Balaji; Thirupathi, G; Vudaygiri, Ashok; Singh, R

    2014-08-01

    We have measured microrheological and microstructural properties of a superparamagnetic ferrofluid made of Mn0.75Zn0.25Fe2O4 (MZF) nanoparticles, using passive microrheology in a home-built inverted microscope. Thermal motion of a probe microsphere was measured for different values of an applied external magnetic field and analysed. The analysis shows anisotropy in magneto-viscous effect. Additional microrheological properties, such as storage modulus and loss modulus and their transition are also seen. We have also obtained microstructural properties such as elongational flow coefficient [Formula: see text] , relaxation time constant [Formula: see text] , coefficient of dissipative magnetization [Formula: see text] , etc., using the analysis given in Oliver Muller et al., J. Phys.: Condens. Matter 18, S2623, (2006) and Stefan Mahle et al., Phys. Rev. E 77, 016305 (2008) over our measured viscosity data. Our values for the above parameters are in agreement with earlier theoretical calculations and macro-rheological experimental measurements. These theoretical calculations consider an ideal situation of zero-shear limit, which is best approximated only in the passive microrheology technique described here and a first time measurement of all these parameters with passive microrheology. PMID:25117500

  1. Transport properties of alkali metal doped fullerides

    SciTech Connect

    Yadav, Daluram Yadav, Nishchhal

    2015-07-31

    We have studied the intercage interactions between the adjacent C{sub 60} cages and expansion of lattice due to the intercalation of alkali atoms based on the spring model to estimate phonon frequencies from the dynamical matrix for the intermolecular alkali-C{sub 60} phonons. We considered a two-peak model for the phonon density of states to investigate the nature of electron pairing mechanism for superconducting state in fullerides. Coulomb repulsive parameter and the electron phonon coupling strength are obtained within the random phase approximation. Transition temperature, T{sub c}, is obtained in a situation when the free electrons in lowest molecular orbital are coupled with alkali-C{sub 60} phonons as 5 K, which is much lower as compared to reported T{sub c} (20 K). The superconducting pairing is mainly driven by the high frequency intramolecular phonons and their effects enhance it to 22 K. The importance of the present study, the pressure effect and normal state transport properties are calculated within the same model leading superconductivity.

  2. Influence of anisotropic grain boundary properties on the evolution of grain boundary character distribution during grain growth—a 2D level set study

    NASA Astrophysics Data System (ADS)

    Hallberg, Håkan

    2014-12-01

    The present study elaborates on a 2D level set model of polycrystal microstructures that was recently established by adding the influence of anisotropic grain boundary energy and mobility on microstructure evolution. The new model is used to trace the evolution of grain boundary character distribution during grain growth. The employed level set formulation conveniently allows the grain boundary characteristics to be quantified in terms of coincidence site lattice (CSL) type per unit of grain boundary length, providing a measure of the distribution of such boundaries. In the model, both the mobility and energy of the grain boundaries are allowed to vary with misorientation. In addition, the influence of initial polycrystal texture is studied by comparing results obtained from a polycrystal with random initial texture against results from a polycrystal that initially has a cube texture. It is shown that the proposed level set formulation can readily incorporate anisotropic grain boundary properties and the simulation results further show that anisotropic grain boundary properties only have a minor influence on the evolution of CSL boundary distribution during grain growth. As anisotropic boundary properties are considered, the most prominent changes in the CSL distributions are an increase of general low-angle Σ1 boundaries as well as a more stable presence of Σ3 boundaries. The observations also hold for the case of an initially cube-textured polycrystal. The presence of this kind of texture has little influence over the evolution of the CSL distribution. Taking into consideration the anisotropy of grain boundary properties, grain growth alone does not seem to be sufficient to promote any significantly increased overall presence of CSL boundaries.

  3. Osmotic compression of anisotropic proteins: interaction properties and associated structures in wheat gliadin dispersions.

    PubMed

    Boire, Adeline; Menut, Paul; Morel, Marie-Hélène; Sanchez, Christian

    2015-04-30

    In this Article, we investigated the interaction properties of wheat gliadins, properties that are at the basis of their functionality in wheat grain and in food matrixes. We established the equation of state of our isolate by osmotic compression and characterized the concentration-induced structural transitions, from the secondary structure of proteins to the rheological properties. We evidenced three thermodynamical regimes corresponding to several structuring regimes. First, for Φ < 0.03, gliadins behave as repulsive colloids, with a positive second virial coefficient, arising presumably from their surface charge density and/or their steric repulsion. No intermolecular interaction was detected by FT-IR, suggesting that proteins form a stable dispersion. In the second regime, the system becomes more easily compressible, i.e., less repulsive and/or more attractive. It is associated with the disappearance of β-sheet intramolecular structures of the proteins in favor of random coils/α-helix and intermolecular β-sheet interactions. This coincides with the appearance of elasticity and the increase of the apparent viscosity. Finally, in the last regime, for Φ > 0.16, FT-IR spectra show that proteins are strongly interacting via intermolecular interactions. A correlation peak develops in SAXS, revealing a global order in the dispersion. Interestingly, the osmotic pressure applied to extract the solvent is higher than expected from a hard-sphere-like protein and we highlighted a liquid-like state at very high concentration (>450 g L(-1)) which is in contrast with most proteins that form gel or glass at such concentration. In the discussion, we questioned the existence of supramolecular assemblies and the role of the solvation that would lead to this specific behavior.

  4. Osmotic compression of anisotropic proteins: interaction properties and associated structures in wheat gliadin dispersions.

    PubMed

    Boire, Adeline; Menut, Paul; Morel, Marie-Hélène; Sanchez, Christian

    2015-04-30

    In this Article, we investigated the interaction properties of wheat gliadins, properties that are at the basis of their functionality in wheat grain and in food matrixes. We established the equation of state of our isolate by osmotic compression and characterized the concentration-induced structural transitions, from the secondary structure of proteins to the rheological properties. We evidenced three thermodynamical regimes corresponding to several structuring regimes. First, for Φ < 0.03, gliadins behave as repulsive colloids, with a positive second virial coefficient, arising presumably from their surface charge density and/or their steric repulsion. No intermolecular interaction was detected by FT-IR, suggesting that proteins form a stable dispersion. In the second regime, the system becomes more easily compressible, i.e., less repulsive and/or more attractive. It is associated with the disappearance of β-sheet intramolecular structures of the proteins in favor of random coils/α-helix and intermolecular β-sheet interactions. This coincides with the appearance of elasticity and the increase of the apparent viscosity. Finally, in the last regime, for Φ > 0.16, FT-IR spectra show that proteins are strongly interacting via intermolecular interactions. A correlation peak develops in SAXS, revealing a global order in the dispersion. Interestingly, the osmotic pressure applied to extract the solvent is higher than expected from a hard-sphere-like protein and we highlighted a liquid-like state at very high concentration (>450 g L(-1)) which is in contrast with most proteins that form gel or glass at such concentration. In the discussion, we questioned the existence of supramolecular assemblies and the role of the solvation that would lead to this specific behavior. PMID:25839358

  5. Non-destructive determination of anisotropic mechanical properties of pharmaceutical solid dosage forms.

    PubMed

    Akseli, I; Hancock, B C; Cetinkaya, C

    2009-07-30

    The mechanical property anisotropy of compacts made from four commercially available pharmaceutical excipient powders (microcrystalline cellulose, lactose monohydrate, ascorbic acid, and aspartame) was evaluated. The speed of pressure (longitudinal) waves in the uni-axially compressed cubic compacts of each excipient in the three principle directions was determined using a contact ultrasonic method. Average Young's moduli of each compact in the axial (x) and radial (y and z) directions were characterized. The contact ultrasonic measurements revealed that average Young's modulus values vary with different testing orientations which indicate Young's modulus anisotropy in the compacts. The extent of Young's modulus anisotropy was quantified by using a dimensionless ratio and was found to be significantly different for each material (microcrystalline cellulose>lactose>aspartame>ascorbic acid). It is also observed that using the presented contact method, compacts at high solid fraction (0.857-0.859) could be differentiated than those at the solid fraction of 0.85 in their groups. The presented contact ultrasonic method is an attractive tool since it has the advantages of being sensitive to solid fraction ratio, non-destructive, requiring small amount of material and rapid. It is noteworthy that, since the approach provides insight into the performance of common pharmaceutical materials and fosters increased process knowledge, it can be applied to broaden the understanding of the effect of the mechanical properties on the performance (e.g., disintegration profiles) of solid oral dosage forms.

  6. Anisotropic magneto-optical properties of vanadium in Bi4Ge3O12

    NASA Astrophysics Data System (ADS)

    Petkova, P.

    2016-07-01

    The paper deals with the investigation of the magneto-optical effect and photochromism in vanadium doped Bi4Ge3O12 (BGO) single crystals in a wide spectral range. It has been found out that the photosensitivity of doped crystals is significantly shifted to the visible wavelengths. This investigation reports the experimental results of Faraday rotation in the case of vanadium doped Bi4Ge3O12. The rotation angle of the polarization plane of the crystal plate has been investigated in the magnetic field in an illuminated state, obtained by exposure with ultraviolet (UV) light and an annealed state developed after annealing at 400 °C. We have observed the strong appearance of vanadium impurity in the spectral range 380-700 nm. The experimental determination of magneto-optical properties of V4+ ions gives us an opportunity for calculation of the refractive index n of the doped BGO.

  7. Thermodynamic properties of anisotropic spin ladder in a longitudinal magnetic field

    NASA Astrophysics Data System (ADS)

    Rezania, H.

    2015-08-01

    We address thermodynamic properties of quasi-one dimensional two leg antiferromagnetic ladder in the presence of magnetic field. A generalized bond operator formalism is used to transform the spin model to a hard core bosonic gas. We have implemented Green's function approach to obtain the temperature dependence of spin excitation spectrum in field induced spin polarized phase. The results show energy gap that vanishes at critical magnetic field for fixed values of temperatures. We have also found the temperature dependence of the specific heat and magnetization component in the magnetic field direction for various magnetic field strengths and anisotropies in the Heisenberg interactions on both leg and rung couplings. At low temperatures, the specific heat is found to be monotonically increasing with temperature for magnetic fields in the spin polarized phase region. Furthermore we studied the temperature dependence of the longitudinal magnetization for different magnetic field and anisotropy parameters.

  8. Transport properties of graphene and its application

    NASA Astrophysics Data System (ADS)

    Lu, Jianming

    This thesis focuses on the transport properties of graphene, a new emerging atomically thin, two-dimensional material, with and without the application of a magnetic field. Because of its high mobility, graphene is a promising candidate for Extraordinary Magnetoresistance (EMR) devices. The magnetoresistance of an EMR device arises mainly from its geometry rather than the intrinsic response of the material itself to an applied magnetic field. As a result, the geometric parameters play an important role in its performance. Experiments employing various combinations of geometric parameters and graphene of different quality levels were conducted to determine the optimal results. We found that the optimized parameters vary for different applied magnetic fields. In a magnetic field of 9 Tesla, magnetoresistance up to 55,000% was observed. In addition, Finite Element Analysis (FEA) simulations are used to complement the experiments and explain the measured magnetoresistance. The excellent agreement between the simulations and experimental results indicates that theoretical simulation can be used as a convenient method to explore EMR devices with alternative geometries or materials. The anomalous quantum Hall effect is one of the most exciting properties of graphene. The observation of the v=0 state above a critical magnetic field is closely related to the quality of the graphene, where a higher quality reduces the critical field needed. With our high quality graphene sample, the critical field is reduced to 6.75 Tesla. Moreover, from 6.75 T to 9T, the resistance at the cross point of the metal-insulator transition (MIT) is very close to h/2e2, which resembles the case of a disordered two-dimensional electron gas (2DEG) and may indicate a similar physical mechanism. In addition to the magnetotransport measurements, the current saturation of graphene in a high electric field is studied both theoretically and experimentally. This thesis focuses primarily on bilayer graphene

  9. Neoclassical Transport Properties of Tokamak Plasmas

    SciTech Connect

    Weyssow, B.

    2004-03-15

    The classical transport theory is strictly valid for a plasma in a homogeneous and stationary magnetic field. In the '60, experiments have shown that this theory does not apply as a local theory of transport in Tokamaks. It was shown that global geometric characteristics of the confining elements have a strong influence on the transport. Three regimes of collisionality are characteristic of the neoclassical transport theory: the banana regime (the electronic diffusion coefficient increases starting from zero), the plateau regime (the diffusion coefficient is almost independent of the collisionality) and the Pfirsch-Schlueter regime (the electronic diffusion coefficient again increases with the collisionality)

  10. Research Update: Structural and transport properties of (Ca,La)FeAs2 single crystal

    NASA Astrophysics Data System (ADS)

    Caglieris, F.; Sala, A.; Fujioka, M.; Hummel, F.; Pallecchi, I.; Lamura, G.; Johrendt, D.; Takano, Y.; Ishida, S.; Iyo, A.; Eisaki, H.; Ogino, H.; Yakita, H.; Shimoyama, J.; Putti, M.

    2016-02-01

    Structural and transport properties in the normal and superconducting states are investigated in a Ca0.8La0.2FeAs2 single crystal with Tc = 27 K, belonging to the newly discovered 112 family of iron based superconductors. The transport critical current density Jc for both field directions measured in a focused ion beam patterned microbridge reveals a weakly field dependent and low anisotropic behaviour with a low temperature value as high as Jc(B = 0) ˜ 105 A/cm2. This demonstrates not only bulk superconductivity but also the potential of 112 superconductors towards applications. Interestingly, this superconducting compound undergoes a structural transition below 100 K which is evidenced by temperature-dependent X-ray diffraction measurements. Data analysis of Hall resistance and magnetoresistivity indicate that magnetotransport properties are largely dominated by an electron band, with a change of regime observed in correspondence of the onset of a structural transition. In the low temperature regime, the contribution of a hole band to transport is suggested, possibly playing a role in determining the superconducting state.

  11. Abnormal percolative transport and colossal electroresistance induced by anisotropic strain in (011)-Pr0.7(Ca0.6Sr0.4)0.3MnO3/PMN-PT heterostructure

    NASA Astrophysics Data System (ADS)

    Zhao, Ying-Ying; Wang, Jing; Kuang, Hao; Hu, Feng-Xia; Zhang, Hong-Rui; Liu, Yao; Zhang, Ying; Wang, Shuan-Hu; Wu, Rong-Rong; Zhang, Ming; Bao, Li-Fu; Sun, Ji-Rong; Shen, Bao-Gen

    2014-11-01

    Abnormal percolative transport in inhomogeneous systems has drawn increasing interests due to its deviation from the conventional percolation picture. However, its nature is still ambiguous partly due to the difficulty in obtaining controllable abnormal percolative transport behaviors. Here, we report the first observation of electric-field-controlled abnormal percolative transport in (011)-Pr0.7(Ca0.6Sr0.4)0.3MnO3/0.7Pb(Mg1/3Nb2/3)O3-0.3PbTiO3 heterostructure. By introducing an electric-field-induced in-plane anisotropic strain-field in a phase separated PCSMO film, we stimulate a significant inverse thermal hysteresis (~ -17.5 K) and positive colossal electroresistance (~11460%), which is found to be crucially orientation-dependent and completely inconsistent with the well accepted conventional percolation picture. Further investigations reveal that such abnormal inverse hysteresis is strongly related to the preferential formation of ferromagnetic metallic domains caused by in-plane anisotropic strain-field. Meanwhile, it is found that the positive colossal electroresistance should be ascribed to the coactions between the anisotropic strain and the polarization effect from the poling of the substrate which leads to orientation and bias-polarity dependencies for the colossal electroresistance. This work unambiguously evidences the indispensable role of the anisotropic strain-field in driving the abnormal percolative transport and provides a new perspective for well understanding the percolation mechanism in inhomogeneous systems.

  12. Applications of asymmetric nanotextured parylene surface using its wetting and transport properties

    NASA Astrophysics Data System (ADS)

    Sekeroglu, Koray

    In this thesis, basic digital fluidics devices were introduced using polymeric nanorods (nano-PPX) inspired from nature. Natural inspiration ignited this research by observing butterfly wings, water strider legs, rye grass leaves, and their asymmetric functions. Nano-PPX rods, manufactured by an oblique angle polymerization (OAP) method, are asymmetrically aligned structures that have unidirectional wetting properties. Nano-PPX demonstrates similar functions to the directional textured surfaces of animals and plants in terms of wetting, adhesion, and transport. The water pin-release mechanism on the asymmetric nano-PPX surface with adhesion function provides a great transport property. How the asymmetry causes transport is discussed in terms of hysteresis and interface contact of water droplets. In this study, the transport property of nano-PPX rods is used to guide droplets as well as transporting cargo such as microgels. With the addition of tracks on the nano-PPX rods, the surfaces were transformed into basic digital fluidics devices. The track-assisted nano-PPX has been employed to applications (i.e. sorting, mixing, and carrying cargo particles). Thus, digital fluidics devices fabricated on nano-PPX surface is a promising pathway to assemble microgels in the field of bioengineering. The characterization of the nano textured surface was completed using methods such as Scanning Electron Microscopy, Atomic Force Microscopy, Contact Angle Goniometry, and Fourier Transform Infra-Red Spectroscopy. These methods helped to understand the physical and chemical properties of nano-PPX. Parameters such as advancing and receding contact angles, nanorod tilt angle, and critical drop volumes were utilized to investigate the anisotropic wetting properties of nano-PPX surface. This investigation explained the directional wetting behavior of the surface as well as approaching new design parameters for adjusting surface properties. The nanorod tilt angle was a key parameter

  13. Anisotropic superconducting properties of single-crystalline FeSe0.5Te0.5

    NASA Astrophysics Data System (ADS)

    Bendele, M.; Weyeneth, S.; Puzniak, R.; Maisuradze, A.; Pomjakushina, E.; Conder, K.; Pomjakushin, V.; Luetkens, H.; Katrych, S.; Wisniewski, A.; Khasanov, R.; Keller, H.

    2010-06-01

    Iron-chalcogenide single crystals with the nominal composition FeSe0.5Te0.5 and a transition temperature of Tc≃14.6K were synthesized by the Bridgman method. The structural and anisotropic superconducting properties of those crystals were investigated by means of single crystal x-ray and neutron powder diffraction, superconducting quantum interference device and torque magnetometry, and muon-spin rotation (μSR). Room temperature neutron powder diffraction reveals that 95% of the crystal volume is of the same tetragonal structure as PbO. The structure refinement yields a stoichiometry of Fe1.045Se0.406Te0.594 . Additionally, a minor hexagonal Fe7Se8 impurity phase was identified. The magnetic penetration depth λ at zero temperature obtained by means of μSR was found to be λab(0)=491(8)nm in the ab plane and λc(0)=1320(14)nm along the c axis. The zero-temperature value of the superfluid density ρs(0)∝λ-2(0) obeys the empirical Uemura relation observed for various unconventional superconductors, including cuprates and iron pnictides. The temperature dependences of both λab and λc are well described by a two-gap s+s -wave model with the zero-temperature gap values of ΔS(0)=0.51(3)meV and ΔL(0)=2.61(9)meV for the small and the large gap, respectively. The magnetic penetration depth anisotropy parameter γλ(T)=λc(T)/λab(T) increases with decreasing temperature, in agreement with γλ(T) observed in the iron-pnictide superconductors.

  14. Anisotropic Kepler and anisotropic two fixed centres problems

    NASA Astrophysics Data System (ADS)

    Maciejewski, Andrzej J.; Przybylska, Maria; Szumiński, Wojciech

    2016-09-01

    In this paper we show that the anisotropic Kepler problem is dynamically equivalent to a system of two point masses which move in perpendicular lines (or planes) and interact according to Newton's law of universal gravitation. Moreover, we prove that generalised version of anisotropic Kepler problem as well as anisotropic two centres problem are non-integrable. This was achieved thanks to investigation of differential Galois groups of variational equations along certain particular solutions. Properties of these groups yield very strong necessary integrability conditions.

  15. Insight into interfacial effect on effective physical properties of fibrous materials. I. The volume fraction of soft interfaces around anisotropic fibers

    NASA Astrophysics Data System (ADS)

    Xu, Wenxiang; Wang, Han; Niu, Yanze; Bai, Jingtao

    2016-01-01

    With advances in interfacial properties characterization technologies, the interfacial volume fraction is a feasible parameter for evaluating effective physical properties of materials. However, there is a need to determine the interfacial volume fraction around anisotropic fibers and a need to assess the influence of such the interfacial property on effective properties of fibrous materials. Either ways, the accurate prediction of interfacial volume fraction is required. Towards this end, we put forward both theoretical and numerical schemes to determine the interfacial volume fraction in fibrous materials, which are considered as a three-phase composite structure consisting of matrix, anisotropic hard spherocylinder fibers, and soft interfacial layers with a constant dimension coated on the surface of each fiber. The interfacial volume fraction actually represents the fraction of space not occupied by all hard fibers and matrix. The theoretical scheme that adopts statistical geometry and stereological theories is essentially an analytic continuation from spherical inclusions. By simulating such three-phase chopped fibrous materials, we numerically derive the interfacial volume fraction. The theoretical and numerical schemes provide a quantitative insight that the interfacial volume fraction depends strongly on the fiber geometries like fiber shape, geometric size factor, and fiber size distribution. As a critical interfacial property, the present contribution can be further drawn into assessing effective physical properties of fibrous materials, which will be demonstrated in another paper (Part II) of this series.

  16. Insight into interfacial effect on effective physical properties of fibrous materials. I. The volume fraction of soft interfaces around anisotropic fibers.

    PubMed

    Xu, Wenxiang; Wang, Han; Niu, Yanze; Bai, Jingtao

    2016-01-01

    With advances in interfacial properties characterization technologies, the interfacial volume fraction is a feasible parameter for evaluating effective physical properties of materials. However, there is a need to determine the interfacial volume fraction around anisotropic fibers and a need to assess the influence of such the interfacial property on effective properties of fibrous materials. Either ways, the accurate prediction of interfacial volume fraction is required. Towards this end, we put forward both theoretical and numerical schemes to determine the interfacial volume fraction in fibrous materials, which are considered as a three-phase composite structure consisting of matrix, anisotropic hard spherocylinder fibers, and soft interfacial layers with a constant dimension coated on the surface of each fiber. The interfacial volume fraction actually represents the fraction of space not occupied by all hard fibers and matrix. The theoretical scheme that adopts statistical geometry and stereological theories is essentially an analytic continuation from spherical inclusions. By simulating such three-phase chopped fibrous materials, we numerically derive the interfacial volume fraction. The theoretical and numerical schemes provide a quantitative insight that the interfacial volume fraction depends strongly on the fiber geometries like fiber shape, geometric size factor, and fiber size distribution. As a critical interfacial property, the present contribution can be further drawn into assessing effective physical properties of fibrous materials, which will be demonstrated in another paper (Part II) of this series. PMID:26747814

  17. Numerical evaluation of apparent transport parameters from forced-gradient tracer tests in statistically anisotropic heterogeneous formations

    NASA Astrophysics Data System (ADS)

    Pedretti, D.; Fernandez-Garcia, D.; Bolster, D.; Sanchez-Vila, X.; Benson, D.

    2012-04-01

    For risk assessment and adequate decision making regarding remediation strategies in contaminated aquifers, solute fate in the subsurface must be modeled correctly. In practical situations, hydrodynamic transport parameters are obtained by fitting procedures, that aim to mathematically reproduce solute breakthrough (BTC) observed in the field during tracer tests. In recent years, several methods have been proposed (curve-types, moments, nonlocal formulations) but none of them combine the two main characteristic effects of convergent flow tracer tests (which are the most used tests in the practice): the intrinsic non-stationarity of the convergent flow to a well and the ubiquitous multiscale hydraulic heterogeneity of geological formations. These two effects separately have been accounted for by a lot of methods that appear to work well. Here, we investigate both effects at the same time via numerical analysis. We focus on the influence that measurable statistical properties of the aquifers (such as the variance and the statistical geometry of correlation scales) have on the shape of BTCs measured at the pumping well during convergent flow tracer tests. We built synthetic multigaussian 3D fields of heterogeneous hydraulic conductivity fields with variable statistics. A well is located in the center of the domain to reproduce a forced gradient towards it. Constant-head values are imposed on the boundaries of the domains, which have 251x251x100 cells. Injections of solutes take place by releasing particles at different distances from the well and using a random walk particle tracking scheme with constant local coefficient of dispersivity. The results show that BTCs partially display the typical anomalous behavior that has been commonly referred to as the effect of heterogeneity and connectivity (early and late arrival times of solute differ from the one predicted by local formulations). Among the most salient features, the behaviors of BTCs after the peak (the slope

  18. Anisotropic universe with anisotropic sources

    SciTech Connect

    Aluri, Pavan K.; Panda, Sukanta; Sharma, Manabendra; Thakur, Snigdha E-mail: sukanta@iiserb.ac.in E-mail: snigdha@iiserb.ac.in

    2013-12-01

    We analyze the state space of a Bianchi-I universe with anisotropic sources. Here we consider an extended state space which includes null geodesics in this background. The evolution equations for all the state observables are derived. Dynamical systems approach is used to study the evolution of these equations. The asymptotic stable fixed points for all the evolution equations are found. We also check our analytic results with numerical analysis of these dynamical equations. The evolution of the state observables are studied both in cosmic time and using a dimensionless time variable. Then we repeat the same analysis with a more realistic scenario, adding the isotropic (dust like dark) matter and a cosmological constant (dark energy) to our anisotropic sources, to study their co-evolution. The universe now approaches a de Sitter space asymptotically dominated by the cosmological constant. The cosmic microwave background anisotropy maps due to shear are also generated in this scenario, assuming that the universe contains anisotropic matter along with the usual (dark) matter and vacuum (dark) energy since decoupling. We find that they contribute dominantly to the CMB quadrupole. We also constrain the current level of anisotropy and also search for any cosmic preferred axis present in the data. We use the Union 2 Supernovae data to this extent. An anisotropy axis close to the mirror symmetry axis seen in the cosmic microwave background data from Planck probe is found.

  19. CONDENSED MATTER: STRUCTURE, MECHANICAL AND THERMAL PROPERTIES: Tunable Anisotropic Absorption of Ag-Embedded SiO2 Thin Films by Oblique Angle Deposition

    NASA Astrophysics Data System (ADS)

    Xiao, Xiu-Di; Dong, Guo-Ping; Shao, Jian-Da; Fan, Zheng-Xiu; He, Hong-Bo; Qi, Hong-Ji

    2009-08-01

    Ag-embedded SiO2 thin films are prepared by oblique angle deposition. Through field emission scanning electron microscopy (SEM), an orientated slanted columnar structure is observed. Energy-dispersive x-ray (EDX) analysis shows the Ag concentration is about 3% in the anisotropic SiO2 matrix. Anisotropic surface plasma resonance (SPR) absorption is observed in the Ag-embedded SiO2 thin films, which is dependent on polarization state and incidence angle of two orthogonal polarized lights and the deposition angle. This means that optical properties and anisotropic SPR absorption can be tunable in Ag-embedded SiO2 thin films. Broadband polarization splitting is also observed and the transmission ratio Tp/Ts between p- and s-polarized lights is up to 2.7 for thin films deposited at α = 70°, which means that Ag-embedded SiO2 thin films are a promising candidate for thin film polarizers.

  20. Computer program for calculating thermodynamic and transport properties of fluids

    NASA Technical Reports Server (NTRS)

    Hendricks, R. C.; Braon, A. K.; Peller, I. C.

    1975-01-01

    Computer code has been developed to provide thermodynamic and transport properties of liquid argon, carbon dioxide, carbon monoxide, fluorine, helium, methane, neon, nitrogen, oxygen, and parahydrogen. Equation of state and transport coefficients are updated and other fluids added as new material becomes available.

  1. PROPERTIES OF INTERFACES AND TRANSPORT ACROSS THEM

    EPA Science Inventory

    Much of the biological activity in cell cytoplasm occurs in compartments which are thought to form by phase separation, and many of the functions of these compartments occur by the transport or exchange of molecules across interfaces. Thus, a fundamentally based discussion of th...

  2. Anisotropic transport and structure of single-crystal molybdenum bronze, Li0.33MoO3

    NASA Astrophysics Data System (ADS)

    Moshfeghyeganeh, Saeed; Cohn, Joshua L.; Neumeier, John J.

    We present transport measurements (resistivity, thermopower, thermal conductivity) on single crystals of the quasi-one-dimensional (Q1D), small-gap semiconductora Li0.33MoO3 in the temperature range 150-500 K. The Q1D character of this material is reflected in T = 300 K resistivity ratios, ρc:ρa:ρb* ~= 1:20:180, and extreme anisotropy in the Seebeck coefficient within the a - c planes, Sc -Sa ~= 250 μ V/K. A weak structural anomaly near Ts = 355 K (0.001Å expansions along c* and b* directions, comparable contraction along a*) is identified in the temperature-dependent lattice constants from x-ray diffraction, and is coincident with changes in the transport coefficients. Analysis of the transport data at T >Ts shows that an intrinsic semiconductor model can be applied to explain transport along the most conducting c axis, but along a and b* the transport is better described by a non-adiabatic, small-polaron picture. a B.T. Collins et al., J. Sol. St. Chem. 76, 319 (1988). This material is based upon work supported by the U.S. Department of Energy Office of Basic Energy Sciences Grant DE-FG02-12ER46888 (Univ. Miami) and the National Science Foundation under Grant DMR-0907036 (Mont. St. Univ.).

  3. Unravelling Doping Effects on PEDOT at the Molecular Level: From Geometry to Thermoelectric Transport Properties.

    PubMed

    Shi, Wen; Zhao, Tianqi; Xi, Jinyang; Wang, Dong; Shuai, Zhigang

    2015-10-14

    Tuning carrier concentration via chemical doping is the most successful strategy to optimize the thermoelectric figure of merit. Nevertheless, how the dopants affect charge transport is not completely understood. Here we unravel the doping effects by explicitly including the scattering of charge carriers with dopants on thermoelectric properties of poly(3,4-ethylenedioxythiophene), PEDOT, which is a p-type thermoelectric material with the highest figure of merit reported. We corroborate that the PEDOT exhibits a distinct transition from the aromatic to quinoid-like structure of backbone, and a semiconductor-to-metal transition with an increase in the level of doping. We identify a close-to-unity charge transfer from PEDOT to the dopant, and find that the ionized impurity scattering dominates over the acoustic phonon scattering in the doped PEDOT. By incorporating both scattering mechanisms, the doped PEDOT exhibits mobility, Seebeck coefficient and power factors in very good agreement with the experimental data, and the lightly doped PEDOT exhibits thermoelectric properties superior to the heavily doped one. We reveal that the thermoelectric transport is highly anisotropic in ordered crystals, and suggest to utilize large power factors in the direction of polymer backbone and low lattice thermal conductivity in the stacking and lamellar directions, which is viable in chain-oriented amorphous nanofibers.

  4. Transport properties of pancreatic cancer describe gemcitabine delivery and response

    PubMed Central

    Koay, Eugene J.; Truty, Mark J.; Cristini, Vittorio; Thomas, Ryan M.; Chen, Rong; Chatterjee, Deyali; Kang, Ya’an; Bhosale, Priya R.; Tamm, Eric P.; Crane, Christopher H.; Javle, Milind; Katz, Matthew H.; Gottumukkala, Vijaya N.; Rozner, Marc A.; Shen, Haifa; Lee, Jeffery E.; Wang, Huamin; Chen, Yuling; Plunkett, William; Abbruzzese, James L.; Wolff, Robert A.; Varadhachary, Gauri R.; Ferrari, Mauro; Fleming, Jason B.

    2014-01-01

    Background. The therapeutic resistance of pancreatic ductal adenocarcinoma (PDAC) is partly ascribed to ineffective delivery of chemotherapy to cancer cells. We hypothesized that physical properties at vascular, extracellular, and cellular scales influence delivery of and response to gemcitabine-based therapy. Methods. We developed a method to measure mass transport properties during routine contrast-enhanced CT scans of individual human PDAC tumors. Additionally, we evaluated gemcitabine infusion during PDAC resection in 12 patients, measuring gemcitabine incorporation into tumor DNA and correlating its uptake with human equilibrative nucleoside transporter (hENT1) levels, stromal reaction, and CT-derived mass transport properties. We also studied associations between CT-derived transport properties and clinical outcomes in patients who received preoperative gemcitabine-based chemoradiotherapy for resectable PDAC. Results. Transport modeling of 176 CT scans illustrated striking differences in transport properties between normal pancreas and tumor, with a wide array of enhancement profiles. Reflecting the interpatient differences in contrast enhancement, resected tumors exhibited dramatic differences in gemcitabine DNA incorporation, despite similar intravascular pharmacokinetics. Gemcitabine incorporation into tumor DNA was inversely related to CT-derived transport parameters and PDAC stromal score, after accounting for hENT1 levels. Moreover, stromal score directly correlated with CT-derived parameters. Among 110 patients who received preoperative gemcitabine-based chemoradiotherapy, CT-derived parameters correlated with pathological response and survival. Conclusion. Gemcitabine incorporation into tumor DNA is highly variable and correlates with multiscale transport properties that can be derived from routine CT scans. Furthermore, pretherapy CT-derived properties correlate with clinically relevant endpoints. Trial registration. Clinicaltrials.gov NCT01276613

  5. Lagrangian transport properties of pulmonary interfacial flows.

    PubMed

    Smith, Bradford J; Lukens, Sarah; Yamaguchi, Eiichiro; Gaver, Donald P

    2011-11-01

    Disease states characterized by airway fluid occlusion and pulmonary surfactant insufficiency, such as respiratory distress syndrome, have a high mortality rate. Understanding the mechanics of airway reopening, particularly involving surfactant transport, may provide an avenue to increase patient survival via optimized mechanical ventilation waveforms. We model the occluded airway as a liquid-filled rigid tube with the fluid phase displaced by a finger of air that propagates with both mean and sinusoidal velocity components. Finite-time Lyapunov exponent (FTLE) fields are employed to analyse the convective transport characteristics, taking note of Lagrangian coherent structures (LCSs) and their effects on transport. The Lagrangian perspective of these techniques reveals flow characteristics that are not readily apparent by observing Eulerian measures. These analysis techniques are applied to surfactant-free velocity fields determined computationally, with the boundary element method, and measured experimentally with micro particle image velocimetry (μ-PIV). We find that the LCS divides the fluid into two regimes, one advected upstream (into the thin residual film) and the other downstream ahead of the advancing bubble. At higher oscillatory frequencies particles originating immediately inside the LCS experience long residence times at the air-liquid interface, which may be conducive to surfactant transport. At high frequencies a well-mixed attractor region is identified; this volume of fluid cyclically travels along the interface and into the bulk fluid. The Lagrangian analysis is applied to velocity data measured with 0.01 mg ml(-1) of the clinical pulmonary surfactant Infasurf in the bulk fluid, demonstrating flow field modifications with respect to the surfactant-free system that were not visible in the Eulerian frame.

  6. Lagrangian transport properties of pulmonary interfacial flows

    PubMed Central

    Smith, Bradford J.; Lukens, Sarah; Yamaguchi, Eiichiro; Gaver, Donald P.

    2012-01-01

    Disease states characterized by airway fluid occlusion and pulmonary surfactant insufficiency, such as respiratory distress syndrome, have a high mortality rate. Understanding the mechanics of airway reopening, particularly involving surfactant transport, may provide an avenue to increase patient survival via optimized mechanical ventilation waveforms. We model the occluded airway as a liquid-filled rigid tube with the fluid phase displaced by a finger of air that propagates with both mean and sinusoidal velocity components. Finite-time Lyapunov exponent (FTLE) fields are employed to analyse the convective transport characteristics, taking note of Lagrangian coherent structures (LCSs) and their effects on transport. The Lagrangian perspective of these techniques reveals flow characteristics that are not readily apparent by observing Eulerian measures. These analysis techniques are applied to surfactant-free velocity fields determined computationally, with the boundary element method, and measured experimentally with micro particle image velocimetry (μ-PIV). We find that the LCS divides the fluid into two regimes, one advected upstream (into the thin residual film) and the other downstream ahead of the advancing bubble. At higher oscillatory frequencies particles originating immediately inside the LCS experience long residence times at the air–liquid interface, which may be conducive to surfactant transport. At high frequencies a well-mixed attractor region is identified; this volume of fluid cyclically travels along the interface and into the bulk fluid. The Lagrangian analysis is applied to velocity data measured with 0.01 mg ml−1 of the clinical pulmonary surfactant Infasurf in the bulk fluid, demonstrating flow field modifications with respect to the surfactant-free system that were not visible in the Eulerian frame. PMID:23049141

  7. Transient combined radiation and conduction in a one-dimensional non-gray participating medium with anisotropic optical properties subjected to radiative flux at the boundaries

    NASA Astrophysics Data System (ADS)

    Asllanaj, Fatmir; Brige, Xavier; Jeandel, Gérard

    2007-09-01

    Transient combined heat transfer by radiation and conduction is investigated in non-gray participating media with anisotropic optical properties. The medium is irradiated by a time-dependent source. Different kinds of boundaries are considered: black, opaque, transparent and semi-transparent. The heat transfer equations are solved numerically in a one-dimensional configuration. Comparisons are made with test cases taken from the literature, and the results obtained demonstrate the accuracy of the present numerical model. The influence of transparent, semi-transparent and opaque boundaries on an insulating fibrous medium is also studied.

  8. Magnetic and Transport Properties of Mn-ion implanted Si

    NASA Astrophysics Data System (ADS)

    Preisler, V.; Ogawa, M.; Han, X.; Wang, K. L.

    2010-01-01

    We investigate the magnetic and transport properties of Mn-ion implanted Si. Both temperature dependent and field dependent measurements of the samples using a SQUID magnometer reveal ferromagnetic properties at room temperature. Magnetotransport measurements show a large positive magnetoresistance up to 4.5 T with no signs of saturation.

  9. Fractures in anisotropic media

    NASA Astrophysics Data System (ADS)

    Shao, Siyi

    Rocks may be composed of layers and contain fracture sets that cause the hydraulic, mechanical and seismic properties of a rock to be anisotropic. Coexisting fractures and layers in rock give rise to competing mechanisms of anisotropy. For example: (1) at low fracture stiffness, apparent shear-wave anisotropy induced by matrix layering can be masked or enhanced by the presence of a fracture, depending on the fracture orientation with respect to layering, and (2) compressional-wave guided modes generated by parallel fractures can also mask the presence of matrix layerings for particular fracture orientations and fracture specific stiffness. This report focuses on two anisotropic sources that are widely encountered in rock engineering: fractures (mechanical discontinuity) and matrix layering (impedance discontinuity), by investigating: (1) matrix property characterization, i.e., to determine elastic constants in anisotropic solids, (2) interface wave behavior in single-fractured anisotropic media, (3) compressional wave guided modes in parallel-fractured anisotropic media (single fracture orientation) and (4) the elastic response of orthogonal fracture networks. Elastic constants of a medium are required to understand and quantify wave propagation in anisotropic media but are affected by fractures and matrix properties. Experimental observations and analytical analysis demonstrate that behaviors of both fracture interface waves and compressional-wave guided modes for fractures in anisotropic media, are affected by fracture specific stiffness (controlled by external stresses), signal frequency and relative orientation between layerings in the matrix and fractures. A fractured layered medium exhibits: (1) fracture-dominated anisotropy when the fractures are weakly coupled; (2) isotropic behavior when fractures delay waves that are usually fast in a layered medium; and (3) matrix-dominated anisotropy when the fractures are closed and no longer delay the signal. The

  10. Physical transport properties of marine microplastic pollution

    NASA Astrophysics Data System (ADS)

    Ballent, A.; Purser, A.; Mendes, P. de Jesus; Pando, S.; Thomsen, L.

    2012-12-01

    Given the complexity of quantitative collection, knowledge of the distribution of microplastic pollution in many regions of the world ocean is patchy, both spatially and temporally, especially for the subsurface environment. However, with knowledge of typical hydrodynamic behavior of waste plastic material, models predicting the dispersal of pelagic and benthic plastics from land sources into the ocean are possible. Here we investigate three aspects of plastic distribution and transport in European waters. Firstly, we assess patterns in the distribution of plastics found in fluvial strandlines of the North Sea and how distribution may be related to flow velocities and distance from source. Second, we model transport of non-buoyant preproduction pellets in the Nazaré Canyon of Portugal using the MOHID system after assessing the density, settling velocity, critical and depositional shear stress characteristics of such waste plastics. Thirdly, we investigate the effect of surface turbulences and high pressures on a range of marine plastic debris categories (various densities, degradation states and shapes tested) in an experimental water column simulator tank and pressure laboratory. Plastics deposited on North Sea strandlines varied greatly spatially, as a function of material composition and distance from source. Model outputs indicated that such dense production pellets are likely transported up and down canyon as a function of tidal forces, with only very minor net down canyon movement. Behaviour of plastic fragments under turbulence varied greatly, with the dimensions of the material, as well as density, playing major determining roles. Pressure was shown to affect hydrodynamic behaviours of only low density foam plastics at pressures ≥ 60 bar.

  11. Enhancement of wall jet transport properties

    DOEpatents

    Claunch, Scott D.; Farrington, Robert B.

    1997-01-01

    By enhancing the natural instabilities in the boundary layer and in the free shear layer of a wall jet, the boundary is minimized thereby increasing the transport of heat and mass. Enhancing the natural instabilities is accomplished by pulsing the flow of air that creates the wall jet. Such pulsing of the flow of air can be accomplished by sequentially occluding and opening a duct that confines and directs the flow of air, such as by rotating a disk on an axis transverse to the flow of air in the duct.

  12. Enhancement of wall jet transport properties

    DOEpatents

    Claunch, S.D.; Farrington, R.B.

    1997-02-04

    By enhancing the natural instabilities in the boundary layer and in the free shear layer of a wall jet, the boundary is minimized thereby increasing the transport of heat and mass. Enhancing the natural instabilities is accomplished by pulsing the flow of air that creates the wall jet. Such pulsing of the flow of air can be accomplished by sequentially occluding and opening a duct that confines and directs the flow of air, such as by rotating a disk on an axis transverse to the flow of air in the duct. 17 figs.

  13. Ultrasonic polarization measurements of elastic-anisotropic properties of metamorphized rocks on the slit of the German KTB superdeep well in the 4100-7100 m depth range

    NASA Astrophysics Data System (ADS)

    Kovalevskiy, Mikhail

    2013-04-01

    The KTB German Superdeep Well (Germany, Windischeschenbach) has limiting depth of 9101 m. It is one of the world deepest well among the continental boreholes. A study of physical parameters including elastic ones of the massif intersected by the well allowed to represent a real pattern of changing properties and the state of crystalline rocks in upper and middle part of the Earth crust. Such a deep section enables performing analyses of large spectrum of geological and geophysical objects, such as minerals, crystalline rocks, geological strata, formation complexes et al. Recently obtained results permit to get a general idea of elastic-anisotropic properties of crystalline rocks extracted from great depths. A study of properties and state of rocks along the KTB section will make it possible to most precisely determine regular changes of the Earth's rock properties within a large range of depths. Below are the results of investigation of elastic-anisotropic properties for 13 core samples of the KTB rocks in the range of 4.1 to 7.1 km. In this interval the well has penetrated metamorphosed rocks [1]. The measurements have been done by an acoustopolarization method with recent improvements and with devices for determination of sample elastic properties [2 3]. The data obtained are the result of extended study into the KTB rock samples by the method [4]. Study of rock samples from the KTB Superdeep Well in the 4100-7100 m depth range showed that they all are elastic anisotropic and pertain to a orthorhombic symmetry type. Virtually the degree of linear acoustic anisotropic absorption (LAAA) effect has been detected in all samples. Its appearance is likely related to directional orientation of mineral grains as well as to the generation of microcracks during drilling and lithostatic stress release. The several samples showed an angular unconformity between the LAAA orientation and elastic symmetry elements. The shear waves depolarization (DSW) effect was detected in

  14. Transport properties of porous media from the microstructure

    SciTech Connect

    Torquato, S.

    1995-12-31

    The determination of the effective transport properties of a random porous medium remains a challenging area of research because the properties depend on the microstructure in a highly complex fashion. This paper reviews recent theoretical and experimental progress that we have made on various aspects of this problem. A unified approach is taken to characterize the microstructure and the seemingly disparate properties of the medium.

  15. CET89 - CHEMICAL EQUILIBRIUM WITH TRANSPORT PROPERTIES, 1989

    NASA Technical Reports Server (NTRS)

    Mcbride, B.

    1994-01-01

    Scientists and engineers need chemical equilibrium composition data to calculate the theoretical thermodynamic properties of a chemical system. This information is essential in the design and analysis of equipment such as compressors, turbines, nozzles, engines, shock tubes, heat exchangers, and chemical processing equipment. The substantial amount of numerical computation required to obtain equilibrium compositions and transport properties for complex chemical systems led scientists at NASA's Lewis Research Center to develop CET89, a program designed to calculate the thermodynamic and transport properties of these systems. CET89 is a general program which will calculate chemical equilibrium compositions and mixture properties for any chemical system with available thermodynamic data. Generally, mixtures may include condensed and gaseous products. CET89 performs the following operations: it 1) obtains chemical equilibrium compositions for assigned thermodynamic states, 2) calculates dilute-gas transport properties of complex chemical mixtures, 3) obtains Chapman-Jouguet detonation properties for gaseous species, 4) calculates incident and reflected shock properties in terms of assigned velocities, and 5) calculates theoretical rocket performance for both equilibrium and frozen compositions during expansion. The rocket performance function allows the option of assuming either a finite area or an infinite area combustor. CET89 accommodates problems involving up to 24 reactants, 20 elements, and 600 products (400 of which may be condensed). The program includes a library of thermodynamic and transport properties in the form of least squares coefficients for possible reaction products. It includes thermodynamic data for over 1300 gaseous and condensed species and transport data for 151 gases. The subroutines UTHERM and UTRAN convert thermodynamic and transport data to unformatted form for faster processing. The program conforms to the FORTRAN 77 standard, except for

  16. Unsaturated Zone and Saturated Zone Transport Properties (U0100)

    SciTech Connect

    J. Conca

    2000-12-20

    This Analysis/Model Report (AMR) summarizes transport properties for the lower unsaturated zone hydrogeologic units and the saturated zone at Yucca Mountain and provides a summary of data from the Busted Butte Unsaturated Zone Transport Test (UZTT). The purpose of this report is to summarize the sorption and transport knowledge relevant to flow and transport in the units below Yucca Mountain and to provide backup documentation for the sorption parameters decided upon for each rock type. Because of the complexity of processes such as sorption, and because of the lack of direct data for many conditions that may be relevant for Yucca Mountain, data from systems outside of Yucca Mountain are also included. The data reported in this AMR will be used in Total System Performance Assessment (TSPA) calculations and as general scientific support for various Process Model Reports (PMRs) requiring knowledge of the transport properties of different materials. This report provides, but is not limited to, sorption coefficients and other relevant thermodynamic and transport properties for the radioisotopes of concern, especially neptunium (Np), plutonium (Pu), Uranium (U), technetium (Tc), iodine (I), and selenium (Se). The unsaturated-zone (UZ) transport properties in the vitric Calico Hills (CHv) are discussed, as are colloidal transport data based on the Busted Butte UZTT, the saturated tuff, and alluvium. These values were determined through expert elicitation, direct measurements, and data analysis. The transport parameters include information on interactions of the fractures and matrix. In addition, core matrix permeability data from the Busted Butte UZTT are summarized by both percent alteration and dispersion.

  17. Magnetothermoelectric transport properties of multiterminal graphene nanoribbons

    NASA Astrophysics Data System (ADS)

    Wei, Miao-Miao; Zhang, Ying-Tao; Guo, Ai-Min; Liu, Jian-Jun; Xing, Yanxia; Sun, Qing-Feng

    2016-06-01

    The Peltier effect and the Ettingshausen effect are investigated in graphene nanoribbons, where charge current produces heat current along the longitudinal direction in the former case, and longitudinal charge current generates transverse heat current in the latter case. With the aid of the nonequilibrium Green's function and the Landauer-Büttiker formalism, the Peltier coefficient Πc and the Ettingshausen coefficient Ec are obtained. We found that the Kelvin relation is always valid for the longitudinal thermoelectric transport, i.e., Πc=T Sc , with T the temperature and Sc the Seebeck coefficient. In contrast, for transverse magnetothermoelectric transport, the Kelvin relation breaks down and Ec≠T Nc usually, with Nc the Nernst coefficient. In the region of weak magnetic field, the Ettingshausen effect depends strongly on device parameters. When the Fermi energy EF is close to the Dirac point, the Ettingshausen effect of the semiconducting armchair graphene nanoribbon is much stronger than that of the metallic one. When EF is far away from the Dirac point, the Ettingshausen coefficient Ec oscillates around zero. When under a strong magnetic field, Ec is independent of the device parameters and swells only near the Dirac point. Further, the dependence of Ec on EF can be scaled by EF/kBT , with a peak value of (2 ln2 ) kBT /e for the three-terminal system and (4/3 ln2 ) kBT /e for the four-terminal system. We also study the impact of disorder on the Ettingshausen effect. Regardless of the magnetic field strength, Ec is robust against moderate disorder scattering. In addition, in the strong magnetic field, Ec with additional regular oscillating structure can be caused by disorder.

  18. Anisotropic resistivity tomography

    NASA Astrophysics Data System (ADS)

    Herwanger, J. V.; Pain, C. C.; Binley, A.; de Oliveira, C. R. E.; Worthington, M. H.

    2004-08-01

    Geophysical tomographic techniques have the potential to remotely detect and characterize geological features, such as fractures and spatially varying lithologies, by their response to signals passed through these features. Anisotropic behaviour in many geological materials necessitates the generalization of tomographic methods to include anisotropic material properties in order to attain high-quality images of the subsurface. In this paper, we present a finite element (FE) based direct-current electrical inversion method to reconstruct the conductivity tensor at each node point of a FE mesh from electrical resistance measurements. The inverse problem is formulated as a functional optimization and the non-uniqueness of the electrical inverse problem is overcome by adding penalty terms for structure and anisotropy. We use a modified Levenberg-Marquardt method for the functional optimization and the resulting set of linear equation is solved using pre-conditioned conjugate gradients. The method is tested using both synthetic and field experiments in cross-well geometry. The acquisition geometry for both experiments uses a cross-well experiment at a hard-rock test site in Cornwall, southwest England. Two wells, spaced at 25.7 m, were equipped with electrodes at a 1 m spacing at depths from 21-108 m and data were gathered in pole-pole geometry. The test synthetic model consists of a strongly anisotropic and conductive body underlain by an isotropic resistive formation. Beneath the resistive formation, the model comprises a moderately anisotropic and moderately conductive half-space, intersected by an isotropic conductive layer. This model geometry was derived from the interpretation of a seismic tomogram and available geological logs and the conductivity values are based on observed conductivities. We use the test model to confirm the ability of the inversion scheme to recover the (known) true model. We find that all key features of the model are recovered. However

  19. Applying distributions of hydraulic conductivity for anisotropic systems and applications to Tc Transport at the U.S. Department of Energy Hanford Site

    SciTech Connect

    Allen G Hunt

    2008-06-09

    43Tc99 is spreading mostly laterally through the U.S. Department of Energy Hanford site sediments. At higher tensions in the unsaturated zone, the hydraulic conductivity may be strongly anisotropic as a consequence of finer soils to retain more water than coarser ones, and for these soils to have been deposited primarily in horizontal structures. We have tried to develop a consistent modeling procedure that could predict the behavior of Tc plumes. Our procedure consists of: (1) Adapting existing numerical recipes based on critical path analysis to calculate the hydraulic conductivity, K, as a function of tension, h, (2) Statistically correlating the predicted K at various values of the tension with fine content, (3) Seeking a tension value, for which the anisotropy and the horizontal K values are both sufficiently large to accommodate multi-kilometer spreading, (4) Predicting the distribution of K values for vertical flow as a function of system support volume, (5) Comparing the largest likely K value in the vertical direction with the expected K in the horizontal direction, (6) Finding the length scale at which the two K values are roughly equal, (7) Comparing that length scale with the horizontal spreading of the plume. We find that our predictions of the value of the tension at which the principle spreading is likely occurring compares very well with experiment. However, we seem to underestimate the physical length scale at which the predominantly horizontal spreading begins to take on significant vertical characteristics. Our data and predictions would seem to indicate that this should happen after horizontal transport of somewhat over a km, but the chiefly horizontal transport appears to continue out to scales of 10km or so.

  20. Thermodynamic and transport properties of sodium liquid and vapor

    SciTech Connect

    Fink, J.K.; Leibowitz, L.

    1995-01-01

    Data have been reviewed to obtain thermodynamically consistent equations for thermodynamic and transport properties of saturated sodium liquid and vapor. Recently published Russian recommendations and results of equation of state calculations on thermophysical properties of sodium have been included in this critical assessment. Thermodynamic properties of sodium liquid and vapor that have been assessed include: enthalpy, heat capacity at constant pressure, heat capacity at constant volume, vapor pressure, boiling point, enthalpy of vaporization, density, thermal expansion, adiabatic and isothermal compressibility, speed of sound, critical parameters, and surface tension. Transport properties of liquid sodium that have been assessed include: viscosity and thermal conductivity. For each property, recommended values and their uncertainties are graphed and tabulated as functions of temperature. Detailed discussions of the analyses and determinations of the recommended equations include comparisons with recommendations given in other assessments and explanations of consistency requirements. The rationale and methods used in determining the uncertainties in the recommended values are also discussed.

  1. Abnormal percolative transport and colossal electroresistance induced by anisotropic strain in (011)-Pr(0.7)(Ca(0.6)Sr(0.4))(0.3)MnO₃/PMN-PT heterostructure.

    PubMed

    Zhao, Ying-Ying; Wang, Jing; Kuang, Hao; Hu, Feng-Xia; Zhang, Hong-Rui; Liu, Yao; Zhang, Ying; Wang, Shuan-Hu; Wu, Rong-Rong; Zhang, Ming; Bao, Li-Fu; Sun, Ji-Rong; Shen, Bao-Gen

    2014-01-01

    Abnormal percolative transport in inhomogeneous systems has drawn increasing interests due to its deviation from the conventional percolation picture. However, its nature is still ambiguous partly due to the difficulty in obtaining controllable abnormal percolative transport behaviors. Here, we report the first observation of electric-field-controlled abnormal percolative transport in (011)-Pr(0.7)(Ca(0.6)Sr(0.4))(0.3)MnO3/0.7Pb(Mg(1/3)Nb(2/3))O3-0.3PbTiO3 heterostructure. By introducing an electric-field-induced in-plane anisotropic strain-field in a phase separated PCSMO film, we stimulate a significant inverse thermal hysteresis (~ -17.5 K) and positive colossal electroresistance (~11460%), which is found to be crucially orientation-dependent and completely inconsistent with the well accepted conventional percolation picture. Further investigations reveal that such abnormal inverse hysteresis is strongly related to the preferential formation of ferromagnetic metallic domains caused by in-plane anisotropic strain-field. Meanwhile, it is found that the positive colossal electroresistance should be ascribed to the coactions between the anisotropic strain and the polarization effect from the poling of the substrate which leads to orientation and bias-polarity dependencies for the colossal electroresistance. This work unambiguously evidences the indispensable role of the anisotropic strain-field in driving the abnormal percolative transport and provides a new perspective for well understanding the percolation mechanism in inhomogeneous systems. PMID:25399635

  2. Abnormal percolative transport and colossal electroresistance induced by anisotropic strain in (011)-Pr0.7(Ca0.6Sr0.4)0.3MnO3/PMN-PT heterostructure

    PubMed Central

    Zhao, Ying-Ying; Wang, Jing; Kuang, Hao; Hu, Feng-Xia; Zhang, Hong-Rui; Liu, Yao; Zhang, Ying; Wang, Shuan-Hu; Wu, Rong-Rong; Zhang, Ming; Bao, Li-Fu; Sun, Ji-Rong; Shen, Bao-Gen

    2014-01-01

    Abnormal percolative transport in inhomogeneous systems has drawn increasing interests due to its deviation from the conventional percolation picture. However, its nature is still ambiguous partly due to the difficulty in obtaining controllable abnormal percolative transport behaviors. Here, we report the first observation of electric-field-controlled abnormal percolative transport in (011)-Pr0.7(Ca0.6Sr0.4)0.3MnO3/0.7Pb(Mg1/3Nb2/3)O3-0.3PbTiO3 heterostructure. By introducing an electric-field-induced in-plane anisotropic strain-field in a phase separated PCSMO film, we stimulate a significant inverse thermal hysteresis (~ -17.5 K) and positive colossal electroresistance (~11460%), which is found to be crucially orientation-dependent and completely inconsistent with the well accepted conventional percolation picture. Further investigations reveal that such abnormal inverse hysteresis is strongly related to the preferential formation of ferromagnetic metallic domains caused by in-plane anisotropic strain-field. Meanwhile, it is found that the positive colossal electroresistance should be ascribed to the coactions between the anisotropic strain and the polarization effect from the poling of the substrate which leads to orientation and bias-polarity dependencies for the colossal electroresistance. This work unambiguously evidences the indispensable role of the anisotropic strain-field in driving the abnormal percolative transport and provides a new perspective for well understanding the percolation mechanism in inhomogeneous systems. PMID:25399635

  3. Electron-Transport Properties of Few-Layer Black Phosphorus.

    PubMed

    Xu, Yuehua; Dai, Jun; Zeng, Xiao Cheng

    2015-06-01

    We perform the first-principles computational study of the effect of number of stacking layers and stacking style of the few-layer black phosphorus (BPs) on the electronic properties, including transport gap, current-voltage (i-v) relation, and differential conductance. Our computation is based on the nonequilibrium Green's function approach combined with density functional theory calculations. Specifically, we compute electron-transport properties of monolayer BP, bilayer BP, and trilayer BP as well as bilayer BPs with AB-, AA-, or AC-stacking. We find that the stacking number has greater influence on the transport gap than the stacking type. Conversely, the stacking type has greater influence on i-v curve and differential conductance than on the transport gap. This study offers useful guidance for determining the number of stacking layers and the stacking style of few-layer BP sheets in future experimental measurements and for potential applications in nanoelectronic devices.

  4. Dielectric and electrical transport properties of biopolymers

    NASA Astrophysics Data System (ADS)

    Bartsch, Carrie M.; Subramanyam, Guru; Grote, James G.; Hopkins, F. Kenneth; Brott, Lawrence L.; Naik, Rajesh R.

    2007-02-01

    A new capacitive test structure is used to characterize biopolymers at microwave frequencies. The new test structure is comprised of a parallel plate capacitor, combined with coplanar waveguide-based input and output feed lines. This allows electrical measurements to be taken easily under an applied DC electric field and at various temperatures. The dielectric properties are characterized for two biopolymer thin films: a deoxyribonucleic acid (DNA)-based film and a bovine serum albumin (BSA)-based film. These bio-dielectric thin films are compared with a standard commercial polymer thin film, poly[Bisphenol A carbonate-co-4,4'(3,3,5-trimethyl cyclohexylidene) diphenol], also known as amorphous polycarbonate (APC).

  5. Transport properties of interacting magnetic islands in tokamak plasmas

    SciTech Connect

    Gianakon, T.A.; Callen, J.D.; Hegna, C.C.

    1993-10-01

    This paper explores the equilibrium and transient transport properties of a mixed magnetic topology model for tokamak equilibria. The magnetic topology is composed of a discrete set of mostly non-overlapping magnetic islands centered on the low-order rational surfaces. Transport across the island regions is fast due to parallel transport along the stochastic magnetic field lines about the separatrix of each island. Transport between island regions is assumed to be slow due to a low residual cross-field transport. In equilibrium, such a model leads to: a nonlinear dependence of the heat flux on the pressure gradient; a power balance diffusion coefficient which increases from core to edge; and profile resiliency. Transiently, such a model also exhibits a heat pulse diffusion coefficient larger than the power balance diffusion coefficient.

  6. Transport properties in nontwist area-preserving maps

    SciTech Connect

    Szezech Jr., J. D.; Caldas, I. L.; Lopes, S. R.; Viana, R. L.; Morrison, P. J.

    2009-10-23

    Nontwist systems, common in the dynamical descriptions of fluids and plasmas, possess a shearless curve with a concomitant transport barrier that eliminates or reduces chaotic transport, even after its breakdown. In order to investigate the transport properties of nontwist systems, we analyze the barrier escape time and barrier transmissivity for the standard nontwist map, a paradigm of such systems. We interpret the sensitive dependence of these quantities upon map parameters by investigating chaotic orbit stickiness and the associated role played by the dominant crossing of stable and unstable manifolds.

  7. Modelling Coulomb Collisions in Anisotropic Plasmas

    NASA Astrophysics Data System (ADS)

    Hellinger, P.; Travnicek, P. M.

    2009-12-01

    Collisional transport in anisotropic plasmas is investigated comparing the theoretical transport coefficients (Hellinger and Travnicek, 2009) for anisotropic particles with the results of the corresponding Langevin equation, obtained as a generalization of Manheimer et al. (1997). References: Hellinger, P., and P. M. Travnicek (2009), On Coulomb collisions in bi-Maxwellian plasmas, Phys. Plasmas, 16, 054501. Manheimer, W. M., M. Lampe and G. Joyce (1997), Langevin representation of Coulomb collisions in PIC simulations, J. Comput. Phys., 138, 563-584.

  8. Transport properties associated with carbon-phenolic ablators

    NASA Technical Reports Server (NTRS)

    Biolsi, L.

    1982-01-01

    Entry vehicle heat shields designed for entry into the atmosphere of the outer planets are usually made of carbonaceous material such as carbon-phenolic ablator. Ablative injection of this material is an important mechanism for reducing the heat at the surface of the entry vehicle. Conductive transport properties in the shock layer are important for some entry conditions. The kinetic theory of gases has been used to calculate the transport properties for 17 gaseous species obtained from the ablation of carbon-phenolic heat shields. Results are presented for the pure species and for the gas mixture.

  9. Measurement of the radiative transport properties of reticulated alumina foams

    SciTech Connect

    Hale, M.J.; Bohn, M.S.

    1992-12-01

    This paper presents a method for determining radiative transport properties of reticulated materials. The method has both experimental and analytical components. A polar nephelometer is used to measure the scattering profile of a sample of the reticulated material. The results of a Monte Carlo simulation of the experiment are then combined with the experimental results to give the scatter albedo and extinction coefficient. This paper presents the results of using this method to determine the radiative transport properties of four different porosities (10, 20, 30, 65 pores per inch) of cylindrical reticulated alumina samples ranging in thickness form 0.5 inches to 2. 5 inches.

  10. Transport properties of water at functionalized molecular interfaces

    NASA Astrophysics Data System (ADS)

    Feng, Jun; Wong, Ka-Yiu; Dyer, Kippi; Pettitt, B. Montgomery

    2009-09-01

    Understanding transport properties of solvent such as diffusion and viscosity at interfaces with biomacromolecules and hard materials is of fundamental importance to both biology and biotechnology. Our study utilizes equilibrium molecular dynamics simulations to calculate solvent transport properties at a model peptide and microarray surface. Both diffusion and selected components of viscosity are considered. Solvent diffusion is found to be affected near the peptide and surface. The stress-stress correlation function of solvent near the hard surface exhibits long time memory. Both diffusion and viscosity are shown to be closely correlated with the density distribution function of water along the microarray surface.

  11. Transport properties of self-consolidating concrete

    SciTech Connect

    Sonebi, M.; Nanukuttan, S.

    2009-03-15

    This study reports the findings from an investigation carried out to study the effect of the mixture variations on the durability of medium- and high-strength self-consolidating concrete (SCC). The mixture variations studied include the type of mineral admixtures, such as limestone powder (LSP) and pulverized fuel ash (PFA), and viscosity-modifying admixtures (VMA) for both medium- and high-strength SCC. Air permeability, water permeability, capillary absorption, and chloride diffusivity were used to assess the durability of SCC mixtures in comparison with normal, vibrated concretes. The results showed that SCC mixtures, for medium- and high-strength grades using PFA followed by LSP give lower permeability, properties compared with normal concretes. SCC made with VMA had a higher sorptivity, air permeability, and water permeability compared with other SCC mixtures, which can be attributed to higher water-cement ratio (w/c) and lack of pore filling effect. An in-place migration coefficient was obtained using the in-place ion migration test. This was used to compare the potential diffusivity of different concretes. The results indicated that SCC, for both grades of strength, made with PFA showed much lower diffusivity values in comparison with other mixtures, whereas the SCC mixtures with VMA showed higher diffusivity.

  12. Single tube electric transport properties of synthesized Titania nanotubes

    NASA Astrophysics Data System (ADS)

    Abdelmoula, Mohamed; Menon, Latika

    2011-03-01

    Titania nanotube arrays fabricated by means of electrochemical anodization is currently the main interest of several research groups due to its promising applications. The high aspect ratio, durability, cheap and scalable fabrication technique make it highly attractive material for efficient solar cell. In this regard extensive research work is being carried out to investigate its properties. In our previous work we were able to find a mechanism for separating a single titania nanotube from the titania nanotube arrays and to measure its electric transport properties using e-beam lithography technique, In this work we investigated the effect of thermal annealing on the transport properties, we studied the effect of different annealing temperatures, heating and cooling rates, and in different gases. As a result, we were able to find the optimal annealing conditions to enhance the transport properties in blank titania nanotube. Under these optimal conditions, we were able to study the effect of coating TNTs with N719 dye and gold nanoparticles on the transport properties. As a result of our work we were able to optimize the treatments for more efficient solar cell fabrication.

  13. The filler-rubber interface in styrene butadiene nanocomposites with anisotropic silica particles: morphology and dynamic properties.

    PubMed

    Tadiello, L; D'Arienzo, M; Di Credico, B; Hanel, T; Matejka, L; Mauri, M; Morazzoni, F; Simonutti, R; Spirkova, M; Scotti, R

    2015-05-28

    Silica-styrene butadiene rubber (SBR) nanocomposites were prepared by using shape-controlled spherical and rod-like silica nanoparticles (NPs) with different aspect ratios (AR = 1-5), obtained by a sol-gel route assisted by a structure directing agent. The nanocomposites were used as models to study the influence of the particle shape on the formation of nanoscale immobilized rubber at the silica-rubber interface and its effect on the dynamic-mechanical behavior. TEM and AFM tapping mode analyses of nanocomposites demonstrated that the silica particles are surrounded by a rubber layer immobilized at the particle surface. The spherical filler showed small contact zones between neighboring particles in contact with thin rubber layers, while anisotropic particles (AR > 2) formed domains of rods preferentially aligned along the main axis. A detailed analysis of the polymer chain mobility by different time domain nuclear magnetic resonance (TD-NMR) techniques evidenced a population of rigid rubber chains surrounding particles, whose amount increases with the particle anisotropy, even in the absence of significant differences in terms of chemical crosslinking. Dynamic measurements demonstrate that rod-like particles induce stronger reinforcement of rubber, increasing with the AR. This was related to the self-alignment of the anisotropic silica particles in domains able to immobilize rubber. PMID:25899456

  14. Anisotropic structural and optical properties of semi-polar (11-22) GaN grown on m-plane sapphire using double AlN buffer layers.

    PubMed

    Zhao, Guijuan; Wang, Lianshan; Yang, Shaoyan; Li, Huijie; Wei, Hongyuan; Han, Dongyue; Wang, Zhanguo

    2016-02-10

    We report the anisotropic structural and optical properties of semi-polar (11-22) GaN grown on m-plane sapphire using a three-step growth method which consisted of a low temperature AlN buffer layer, followed by a high temperature AlN buffer layer and GaN growth. By introducing double AlN buffer layers, we substantially improve the crystal and optical qualities of semi-polar (11-22) GaN, and significantly reduce the density of stacking faults and dislocations. The high resolution x-ray diffraction measurement revealed that the in-plane anisotropic structural characteristics of GaN layer are azimuthal dependent. Transmission electron microscopy analysis showed that the majority of dislocations in the GaN epitaxial layer grown on m-sapphire are the mixed-type and the orientation of GaN layer was rotated 58.4° against the substrate. The room temperature photoluminescence (PL) spectra showed the PL intensity and wavelength have polarization dependence along parallel and perpendicular to the [1-100] axis (polarization degrees ~ 0.63). The realization of a high polarization semi-polar GaN would be useful to achieve III-nitride based lighting emission device for displays and backlighting.

  15. A general methodology for inverse estimation of the elastic and anelastic properties of anisotropic open-cell porous materials—with application to a melamine foam

    NASA Astrophysics Data System (ADS)

    Cuenca, Jacques; Van der Kelen, Christophe; Göransson, Peter

    2014-02-01

    This paper proposes an inverse estimation method for the characterisation of the elastic and anelastic properties of the frame of anisotropic open-cell foams used for sound absorption. A model of viscoelasticity based on a fractional differential constitutive equation is used, leading to an augmented Hooke's law in the frequency domain, where the elastic and anelastic phenomena appear as distinctive terms in the stiffness matrix. The parameters of the model are nine orthotropic elastic moduli, three angles of orientation of the material principal directions and three parameters governing the anelastic frequency dependence. The inverse estimation consists in numerically fitting the model on a set of transfer functions extracted from a sample of material. The setup uses a seismic-mass measurement repeated in the three directions of space and is placed in a vacuum chamber in order to remove the air from the pores of the sample. The method allows to reconstruct the full frequency-dependent complex stiffness matrix of the frame of an anisotropic open-cell foam and in particular it provides the frequency of maximum energy dissipation by viscoelastic effects. The characterisation of a melamine foam sample is performed and the relation between the fractional-derivative model and other types of parameterisations of the augmented Hooke's law is discussed.

  16. Anisotropic structural and optical properties of semi-polar (11–22) GaN grown on m-plane sapphire using double AlN buffer layers

    PubMed Central

    Zhao, Guijuan; Wang, Lianshan; Yang, Shaoyan; Li, Huijie; Wei, Hongyuan; Han, Dongyue; Wang, Zhanguo

    2016-01-01

    We report the anisotropic structural and optical properties of semi-polar (11–22) GaN grown on m-plane sapphire using a three-step growth method which consisted of a low temperature AlN buffer layer, followed by a high temperature AlN buffer layer and GaN growth. By introducing double AlN buffer layers, we substantially improve the crystal and optical qualities of semi-polar (11–22) GaN, and significantly reduce the density of stacking faults and dislocations. The high resolution x-ray diffraction measurement revealed that the in-plane anisotropic structural characteristics of GaN layer are azimuthal dependent. Transmission electron microscopy analysis showed that the majority of dislocations in the GaN epitaxial layer grown on m-sapphire are the mixed-type and the orientation of GaN layer was rotated 58.4° against the substrate. The room temperature photoluminescence (PL) spectra showed the PL intensity and wavelength have polarization dependence along parallel and perpendicular to the [1–100] axis (polarization degrees ~ 0.63). The realization of a high polarization semi-polar GaN would be useful to achieve III-nitride based lighting emission device for displays and backlighting. PMID:26861595

  17. Effects of anisotropic interaction-induced properties of hydrogen-rare gas compounds on rototranslational Raman scattering spectra: Comprehensive theoretical and numerical analysis

    NASA Astrophysics Data System (ADS)

    Głaz, Waldemar; Bancewicz, Tadeusz; Godet, Jean-Luc; Gustafsson, Magnus; Haskopoulos, Anastasios; Maroulis, George

    2016-07-01

    A comprehensive study is presented of many aspects of the depolarized anisotropic collision induced (CI) component of light scattered by weakly bound compounds composed of a dihydrogen molecule and a rare gas (Rg) atom, H2-Rg. The work continues a series of earlier projects marking the revival of interest in linear light scattering following the development of new highly advanced tools of quantum chemistry and other theoretical, computational, and experimental means of spectral analyses. Sophisticated ab initio computing procedures are applied in order to obtain the anisotropic polarizability component's dependence on the H2-Rg geometry. These data are then used to evaluate the CI spectral lines for all types of Rg atoms ranging from He to Xe (Rn excluded). Evolution of the properties of CI spectra with growing polarizability/masses of the complexes studied is observed. Special attention is given to the heaviest, Kr and Xe based, scatterers. The influence of specific factors shaping the spectral lines (e.g., bound and metastable contribution, potential anisotropy) is discussed. Also the share of pressure broadened allowed rotational transitions in the overall spectral profile is taken into account and the extent to which it is separable from the pure CI contribution is discussed. We finish with a brief comparison between the obtained results and available experimental data.

  18. Effects of anisotropic interaction-induced properties of hydrogen-rare gas compounds on rototranslational Raman scattering spectra: Comprehensive theoretical and numerical analysis.

    PubMed

    Głaz, Waldemar; Bancewicz, Tadeusz; Godet, Jean-Luc; Gustafsson, Magnus; Haskopoulos, Anastasios; Maroulis, George

    2016-07-21

    A comprehensive study is presented of many aspects of the depolarized anisotropic collision induced (CI) component of light scattered by weakly bound compounds composed of a dihydrogen molecule and a rare gas (Rg) atom, H2-Rg. The work continues a series of earlier projects marking the revival of interest in linear light scattering following the development of new highly advanced tools of quantum chemistry and other theoretical, computational, and experimental means of spectral analyses. Sophisticated ab initio computing procedures are applied in order to obtain the anisotropic polarizability component's dependence on the H2-Rg geometry. These data are then used to evaluate the CI spectral lines for all types of Rg atoms ranging from He to Xe (Rn excluded). Evolution of the properties of CI spectra with growing polarizability/masses of the complexes studied is observed. Special attention is given to the heaviest, Kr and Xe based, scatterers. The influence of specific factors shaping the spectral lines (e.g., bound and metastable contribution, potential anisotropy) is discussed. Also the share of pressure broadened allowed rotational transitions in the overall spectral profile is taken into account and the extent to which it is separable from the pure CI contribution is discussed. We finish with a brief comparison between the obtained results and available experimental data. PMID:27448883

  19. A general methodology for inverse estimation of the elastic and anelastic properties of anisotropic open-cell porous materials—with application to a melamine foam

    SciTech Connect

    Cuenca, Jacques Van der Kelen, Christophe; Göransson, Peter

    2014-02-28

    This paper proposes an inverse estimation method for the characterisation of the elastic and anelastic properties of the frame of anisotropic open-cell foams used for sound absorption. A model of viscoelasticity based on a fractional differential constitutive equation is used, leading to an augmented Hooke's law in the frequency domain, where the elastic and anelastic phenomena appear as distinctive terms in the stiffness matrix. The parameters of the model are nine orthotropic elastic moduli, three angles of orientation of the material principal directions and three parameters governing the anelastic frequency dependence. The inverse estimation consists in numerically fitting the model on a set of transfer functions extracted from a sample of material. The setup uses a seismic-mass measurement repeated in the three directions of space and is placed in a vacuum chamber in order to remove the air from the pores of the sample. The method allows to reconstruct the full frequency-dependent complex stiffness matrix of the frame of an anisotropic open-cell foam and in particular it provides the frequency of maximum energy dissipation by viscoelastic effects. The characterisation of a melamine foam sample is performed and the relation between the fractional-derivative model and other types of parameterisations of the augmented Hooke's law is discussed.

  20. Properties of an affine transport equation and its holonomy

    NASA Astrophysics Data System (ADS)

    Vines, Justin; Nichols, David A.

    2016-10-01

    An affine transport equation was used recently to study properties of angular momentum and gravitational-wave memory effects in general relativity. In this paper, we investigate local properties of this transport equation in greater detail. Associated with this transport equation is a map between the tangent spaces at two points on a curve. This map consists of a homogeneous (linear) part given by the parallel transport map along the curve plus an inhomogeneous part, which is related to the development of a curve in a manifold into an affine tangent space. For closed curves, the affine transport equation defines a "generalized holonomy" that takes the form of an affine map on the tangent space. We explore the local properties of this generalized holonomy by using covariant bitensor methods to compute the generalized holonomy around geodesic polygon loops. We focus on triangles and "parallelogramoids" with sides formed from geodesic segments. For small loops, we recover the well-known result for the leading-order linear holonomy (˜ Riemann × area), and we derive the leading-order inhomogeneous part of the generalized holonomy (˜ Riemann × area^{3/2}). Our bitensor methods let us naturally compute higher-order corrections to these leading results. These corrections reveal the form of the finite-size effects that enter into the holonomy for larger loops; they could also provide quantitative errors on the leading-order results for finite loops.

  1. Reference Fluid Thermodynamic and Transport Properties Database (REFPROP)

    National Institute of Standards and Technology Data Gateway

    SRD 23 NIST Reference Fluid Thermodynamic and Transport Properties Database (REFPROP) (PC database for purchase)   NIST 23 contains revised data in a Windows version of the database, including 105 pure fluids and allowing mixtures of up to 20 components. The fluids include the environmentally acceptable HFCs, traditional HFCs and CFCs and 'natural' refrigerants like ammonia

  2. Transport properties of a Bentheim sandstone under deformation.

    PubMed

    Jasinski, L; Sangaré, D; Adler, P M; Mourzenko, V V; Thovert, J-F; Gland, N; Békri, S

    2015-01-01

    The mechanical and transport properties of a Bentheim sandstone are studied both experimentally and numerically. Three classical classes of loads are applied to a sample whose permeability is measured. The elasticity and the Stokes equations are discretized on unstructured tetrahedral meshes which precisely follow the deformations of the sample. Numerical results are presented, discussed, and compared to the available experimental data.

  3. Oxygen transport properties estimation by DSMC-CT simulations

    SciTech Connect

    Bruno, Domenico; Frezzotti, Aldo; Ghiroldi, Gian Pietro

    2014-12-09

    Coupling DSMC simulations with classical trajectories calculations is emerging as a powerful tool to improve predictive capabilities of computational rarefied gas dynamics. The considerable increase of computational effort outlined in the early application of the method (Koura,1997) can be compensated by running simulations on massively parallel computers. In particular, GPU acceleration has been found quite effective in reducing computing time (Ferrigni,2012; Norman et al.,2013) of DSMC-CT simulations. The aim of the present work is to study rarefied Oxygen flows by modeling binary collisions through an accurate potential energy surface, obtained by molecular beams scattering (Aquilanti, et al.,1999). The accuracy of the method is assessed by calculating molecular Oxygen shear viscosity and heat conductivity following three different DSMC-CT simulation methods. In the first one, transport properties are obtained from DSMC-CT simulations of spontaneous fluctuation of an equilibrium state (Bruno et al, Phys. Fluids, 23, 093104, 2011). In the second method, the collision trajectory calculation is incorporated in a Monte Carlo integration procedure to evaluate the Taxman’s expressions for the transport properties of polyatomic gases (Taxman,1959). In the third, non-equilibrium zero and one-dimensional rarefied gas dynamic simulations are adopted and the transport properties are computed from the non-equilibrium fluxes of momentum and energy. The three methods provide close values of the transport properties, their estimated statistical error not exceeding 3%. The experimental values are slightly underestimated, the percentage deviation being, again, few percent.

  4. Transport Properties of Metallic Ruthenates: A DFT+DMFT Investigation.

    PubMed

    Deng, Xiaoyu; Haule, Kristjan; Kotliar, Gabriel

    2016-06-24

    We present a systematical theoretical study on the transport properties of an archetypal family of Hund's metals, Sr_{2}RuO_{4}, Sr_{3}Ru_{2}O_{7}, SrRuO_{3}, and CaRuO_{3}, within the combination of first principles density functional theory and dynamical mean field theory. The agreement between theory and experiments for optical conductivity and resistivity is good, which indicates that electron-electron scattering dominates the transport of ruthenates. We demonstrate that in the single-site dynamical mean field approach the transport properties of Hund's metals fall into the scenario of "resilient quasiparticles." We explain why the single layered compound Sr_{2}RuO_{4} has a relative weak correlation with respect to its siblings, which corroborates its good metallicity. PMID:27391734

  5. Transport Properties of Metallic Ruthenates: A DFT +DMFT Investigation

    NASA Astrophysics Data System (ADS)

    Deng, Xiaoyu; Haule, Kristjan; Kotliar, Gabriel

    2016-06-01

    We present a systematical theoretical study on the transport properties of an archetypal family of Hund's metals, Sr2RuO4 , Sr3 Ru2 O7 , SrRuO3 , and CaRuO3 , within the combination of first principles density functional theory and dynamical mean field theory. The agreement between theory and experiments for optical conductivity and resistivity is good, which indicates that electron-electron scattering dominates the transport of ruthenates. We demonstrate that in the single-site dynamical mean field approach the transport properties of Hund's metals fall into the scenario of "resilient quasiparticles." We explain why the single layered compound Sr2 RuO4 has a relative weak correlation with respect to its siblings, which corroborates its good metallicity.

  6. Transport properties in semiconducting NbS{sub 2} nanoflakes

    SciTech Connect

    Huang, Y. H.; Chen, R. S. Ho, C. H.; Peng, C. C.; Huang, Y. S.

    2014-09-01

    The electronic transport properties in individual niobium disulphide (NbS{sub 2}) nanoflakes mechanically exfoliated from the bulk crystal with three rhombohedral (3R) structure grown by chemical vapor transport were investigated. It is found that the conductivity values of the single-crystalline nanoflakes are approximately two orders of magnitude lower than that of their bulk counterparts. Temperature-dependent conductivity measurements show that the 3R-NbS{sub 2} nanoflakes exhibit semiconducting transport behavior, which is also different from the metallic character in the bulk crystals. In addition, the noncontinuous conductivity variations were observed at the temperature below 180 K for both the nanoflakes and the bulks, which is attributed to the probable charge density wave transition. The photoconductivities in the semiconducting nanoflakes were also observed under the excitation at 532 nm wavelength. The probable mechanisms resulting in the different transport behaviors between the NbS{sub 2} nanostructure and bulk were discussed.

  7. Transport properties of hierarchical micro-mesoporous materials.

    PubMed

    Schneider, Daniel; Mehlhorn, Dirk; Zeigermann, Philipp; Kärger, Jörg; Valiullin, Rustem

    2016-06-13

    Adding mesopore networks in microporous materials using the principles of hierarchical structure design is recognized as a promising route for eliminating their transport limitations and, therefore, for improving their value in technological applications. Depending on the routes of physico-chemical procedures or post-synthesis treatments used, very different geometries of the intentionally-added transport mesopores can be obtained. Understanding the structure-dynamics relationships in these complex materials with multiple porosities under different thermodynamical conditions remains a challenging task. In this review, we summarize the results obtained so far on experimental and theoretical studies of diffusion in micro-mesoporous materials. By considering four common classes of bi-porous materials, which are differing by the inter-connectivities of their sup-spaces as one of the most important parameter determining the transport rates, we discuss their generic transport properties and correlate the results delivered by the equilibrium and non-equilibrium techniques of diffusion measurements.

  8. Review on measurement techniques of transport properties of nanowires.

    PubMed

    Rojo, Miguel Muñoz; Calero, Olga Caballero; Lopeandia, A F; Rodriguez-Viejo, J; Martín-Gonzalez, Marisol

    2013-12-01

    Physical properties at the nanoscale are novel and different from those in bulk materials. Over the last few decades, there has been an ever growing interest in the fabrication of nanowire structures for a wide variety of applications including energy generation purposes. Nevertheless, the study of their transport properties, such as thermal conductivity, electrical conductivity or Seebeck coefficient, remains an experimental challenge. For instance, in the particular case of nanostructured thermoelectrics, theoretical calculations have shown that nanowires offer a promising way of enhancing the hitherto low efficiency of these materials in the conversion of temperature differences into electricity. Therefore, within the thermoelectrical community there has been a great experimental effort in the measurement of these quantities in actual nanowires. The measurements of these properties at the nanoscale are also of interest in fields other than energy, such as electrical components for microchips, field effect transistors, sensors, and other low scale devices. For all these applications, knowing the transport properties is mandatory. This review deals with the latest techniques developed to perform the measurement of these transport properties in nanowires. A thorough overview of the most important and modern techniques used for the characterization of different kinds of nanowires will be shown. PMID:24113712

  9. Review on measurement techniques of transport properties of nanowires.

    PubMed

    Rojo, Miguel Muñoz; Calero, Olga Caballero; Lopeandia, A F; Rodriguez-Viejo, J; Martín-Gonzalez, Marisol

    2013-12-01

    Physical properties at the nanoscale are novel and different from those in bulk materials. Over the last few decades, there has been an ever growing interest in the fabrication of nanowire structures for a wide variety of applications including energy generation purposes. Nevertheless, the study of their transport properties, such as thermal conductivity, electrical conductivity or Seebeck coefficient, remains an experimental challenge. For instance, in the particular case of nanostructured thermoelectrics, theoretical calculations have shown that nanowires offer a promising way of enhancing the hitherto low efficiency of these materials in the conversion of temperature differences into electricity. Therefore, within the thermoelectrical community there has been a great experimental effort in the measurement of these quantities in actual nanowires. The measurements of these properties at the nanoscale are also of interest in fields other than energy, such as electrical components for microchips, field effect transistors, sensors, and other low scale devices. For all these applications, knowing the transport properties is mandatory. This review deals with the latest techniques developed to perform the measurement of these transport properties in nanowires. A thorough overview of the most important and modern techniques used for the characterization of different kinds of nanowires will be shown.

  10. Transport properties and electronic structure of epitaxial tunnel junctions

    NASA Astrophysics Data System (ADS)

    Freyss, M.; Papanikolaou, N.; Bellini, V.; Zeller, R.; Dederichs, P. H.; Turek, I.

    2002-02-01

    We present ab initio calculations for the electronic ground-state and transport properties of epitaxial Fe/semiconductor/Fe (0 0 1) tunnel junctions. The ground state properties are determined by the ab initio Screened KKR Green's function method and the transport properties by a Green's function formulation of the Landauer-Büttiker formalism. We focus on tunnel junctions with a semiconducting ZnSe barrier and compare them to results for junctions with Si and GaAs barriers. We comment on the presence of metal-induced gap states (MIGS) in the semiconductor, the spin polarization of which strongly depends on the nature of the barrier. We investigate furthermore the influence of one atomic layer at the interface of a non-magnetic metal (Cu, Ag, Al) and of a magnetic 3d transition metal.

  11. Wentzel-Bardeen singularity in coupled Luttinger liquids: Transport properties

    SciTech Connect

    Martin, T.

    1994-08-26

    The recent progress on 1 D interacting electrons systems and their applications to study the transport properties of quasi one dimensional wires is reviewed. We focus on strongly correlated elections coupled to low energy acoustic phonons in one dimension. The exponents of various response functions are calculated, and their striking sensitivity to the Wentzel-Bardeen singularity is discussed. For the Hubbard model coupled to phonons the equivalent of a phase diagram is established. By increasing the filling factor towards half filling the WB singularity is approached. This in turn suppresses antiferromagnetic fluctuations and drives the system towards the superconducting regime, via a new intermediate (metallic) phase. The implications of this phenomenon on the transport properties of an ideal wire as well as the properties of a wire with weak or strong scattering are analyzed in a perturbative renormalization group calculation. This allows to recover the three regimes predicted from the divergence criteria of the response functions.

  12. Configurational temperature and local properties of the anisotropic Gay-Berne liquid crystal model: Applications to the isotropic liquid/vapor interface and isotropic/nematic transition

    NASA Astrophysics Data System (ADS)

    Ghoufi, Aziz; Morineau, Denis; Lefort, Ronan; Malfreyt, Patrice

    2011-01-01

    Molecular simulations in the isothermal statistical ensembles require that the macroscopic thermal and mechanical equilibriums are respected and that the local values of these properties are constant at every point in the system. The thermal equilibrium in Monte Carlo simulations can be checked through the calculation of the configurational temperature, {k_BT_{conf}={< |nabla _r U({r}^N)|2>}/{< nabla _r{^2} U({r}^N) >}}, where nabla _r is the nabla operator of position vector r. As far as we know, T_{conf} was never calculated with the anisotropic Gay-Berne potential, whereas the calculation of T_{conf} is much more widespread with more common potentials (Lennard Jones, electrostatic, …). We establish here an operational expression of the macroscopic and local configurational temperatures, and we investigate locally the isotropic liquid phase, the liquid / vapor interface, and the isotropic-nematic transition by Monte Carlo simulations.

  13. Magnetic properties and anisotropic magnetoresistance of antiperovskite nitride Mn{sub 3}GaN/Co{sub 3}FeN exchange-coupled bilayers

    SciTech Connect

    Sakakibara, H. Ando, H.; Kuroki, Y.; Kawai, S.; Ueda, K.; Asano, H.

    2015-05-07

    Epitaxial bilayers of antiferromagnetic Mn{sub 3}GaN/ferromagnetic Co{sub 3}FeN with an antiperovskite structure were grown by reactive magnetron sputtering, and their structural, magnetic, and electrical properties were investigated. Exchange coupling with an exchange field H{sub ex} of 0.4 kOe at 4 K was observed for Mn{sub 3}GaN (20 nm)/Co{sub 3}FeN (5 nm) bilayers. Negative anisotropic magnetoresistance (AMR) effect in Co{sub 3}FeN was observed and utilized to detect magnetization reversal in exchange-coupled Mn{sub 3}GaN/Co{sub 3}FeN bilayers. The AMR results showed evidence for current-induced spin transfer torque in antiferromagnetic Mn{sub 3}GaN.

  14. Peculiarities of spectral properties of a one-dimensional photonic crystal with an anisotropic defect layer of the nanocomposite with resonant dispersion

    SciTech Connect

    Vetrov, S Ya; Timofeev, I V; Pankin, P S

    2014-09-30

    We have studied the spectral properties of a one-dimensional photonic crystal with a structure defect that represents an anisotropic nanocomposite layer sandwiched between two multilayer dielectric mirrors. The nanocomposite consists of metallic nanoscale inclusions of orientationally ordered spheroidal shape, dispersed in a transparent matrix, and is characterised by an effective resonant permittivity. Each of the two orthogonal polarisations of probe radiation corresponds to a particular plasmon resonant frequency of the nanocomposite. The problem of calculating the transmittance spectrum of the waves with s- and p-polarisations for such structures is solved. Spectral manifestation of splitting of the defect mode depending on the structure parameters and volumetric fraction of the nanospheroids is studied. The essential dependence of the position of maxima of the defect modes in the bandgap of the photonic crystal and their splitting on the incidence angle, polarisation, and the ratio of lengths of the polar and equatorial semi-axes of the spheroidal nanoparticles is shown. (photonic crystals)

  15. Magneto-optical transport properties of monolayer WSe2

    NASA Astrophysics Data System (ADS)

    Tahir, M.; Vasilopoulos, P.

    2016-07-01

    The recent experimental realization of a high quality WSe2 leads to the possibility of magneto-optical measurements and the manipulation of the spin and valley degrees of freedom. We study the influence of the very strong spin-orbit coupling and of the anisotropic lifting of the valley pseudospin degeneracy on its magnetotransport properties. The energy spectrum of WSe2 is derived and discussed in the presence of a perpendicular magnetic field B . Correspondingly we evaluate the magneto-optical Hall conductivity and the optical longitudinal conductivity as functions of the frequency, magnetic field, and Fermi energy. They are strongly influenced by the field B and the strong spin splitting. The former exhibits valley polarization and the latter beatings of oscillations. The magneto-optical responses can be tuned in two different regimes: the microwave-to-terahertz regime and the visible-frequency one. The absorption peaks involving the n =0 LL appear in between these two regimes and show a magnetic control of the spin and valley splittings. We also evaluate the power absorption spectrum.

  16. Transport processes in partially saturate concrete: Testing and liquid properties

    NASA Astrophysics Data System (ADS)

    Villani, Chiara

    The measurement of transport properties of concrete is considered by many to have the potential to serve as a performance criterion that can be related to concrete durability. However, the sensitivity of transport tests to several parameters combined with the low permeability of concrete complicates the testing. Gas permeability and diffusivity test methods are attractive due to the ease of testing, their non-destructive nature and their potential to correlate to in-field carbonation of reinforced concrete structures. This work was aimed at investigating the potential of existing gas transport tests as a way to reliably quantify transport properties in concrete. In this study gas permeability and diffusivity test methods were analyzed comparing their performance in terms of repeatability and variability. The influence of several parameters was investigated such as moisture content, mixture proportions and gas flow. A closer look to the influence of pressure revealed an anomalous trend of permeability with respect to pressure. An alternative calculation is proposed in an effort to move towards the determination of intrinsic material properties that can serve as an input for service life prediction models. The impact of deicing salts exposure was also analyzed with respect to their alteration of the degree of saturation as this may affect gas transport in cementitious materials. Limited information were previously available on liquid properties over a wide range of concentrations. To overcome this limitation, this study quantified surface tension, viscosity in presence of deicing salts in a broad concentration range and at different temperatures. Existing models were applied to predict the change of fluid properties during drying. Vapor desorption isotherms were obtained to investigate the influence of deicing salts presence on the non-linear moisture diffusion coefficient. Semi-empirical models were used to quantify the initiation and the rate of drying using liquid

  17. Kinetic theory of transport processes in partially ionized reactive plasma, II: Electron transport properties

    NASA Astrophysics Data System (ADS)

    Zhdanov, V. M.; Stepanenko, A. A.

    2016-11-01

    The previously obtained in (Zhdanov and Stepanenko, 2016) general transport equations for partially ionized reactive plasma are employed for analysis of electron transport properties in molecular and atomic plasmas. We account for both elastic and inelastic interaction channels of electrons with atoms and molecules of plasma and also the processes of electron impact ionization of neutral particles and three-body ion-electron recombination. The system of scalar transport equations for electrons is discussed and the expressions for non-equilibrium corrections to electron ionization and recombination rates and the diagonal part of the electron pressure tensor are derived. Special attention is paid to analysis of electron energy relaxation during collisions with plasma particles having internal degrees of freedom and the expression for the electron coefficient of inelastic energy losses is deduced. We also derive the expressions for electron vector and tensorial transport fluxes and the corresponding transport coefficients for partially ionized reactive plasma, which represent a generalization of the well-known results obtained by Devoto (1967). The results of numerical evaluation of contribution from electron inelastic collisions with neutral particles to electron transport properties are presented for a series of molecular and atomic gases.

  18. Charge carrier transport properties in layer structured hexagonal boron nitride

    SciTech Connect

    Doan, T. C.; Li, J.; Lin, J. Y.; Jiang, H. X.

    2014-10-15

    Due to its large in-plane thermal conductivity, high temperature and chemical stability, large energy band gap (~ 6.4 eV), hexagonal boron nitride (hBN) has emerged as an important material for applications in deep ultraviolet photonic devices. Among the members of the III-nitride material system, hBN is the least studied and understood. The study of the electrical transport properties of hBN is of utmost importance with a view to realizing practical device applications. Wafer-scale hBN epilayers have been successfully synthesized by metal organic chemical deposition and their electrical transport properties have been probed by variable temperature Hall effect measurements. The results demonstrate that undoped hBN is a semiconductor exhibiting weak p-type at high temperatures (> 700 °K). The measured acceptor energy level is about 0.68 eV above the valence band. In contrast to the electrical transport properties of traditional III-nitride wide bandgap semiconductors, the temperature dependence of the hole mobility in hBN can be described by the form of μ ∝ (T/T{sub 0}){sup −α} with α = 3.02, satisfying the two-dimensional (2D) carrier transport limit dominated by the polar optical phonon scattering. This behavior is a direct consequence of the fact that hBN is a layer structured material. The optical phonon energy deduced from the temperature dependence of the hole mobility is ħω = 192 meV (or 1546 cm{sup -1}), which is consistent with values previously obtained using other techniques. The present results extend our understanding of the charge carrier transport properties beyond the traditional III-nitride semiconductors.

  19. Anisotropic modulation of magnetic properties and the memory effect in a wide-band (011)-Pr0.7Sr0.3MnO3/PMN-PT heterostructure.

    PubMed

    Zhao, Ying-Ying; Wang, Jing; Kuang, Hao; Hu, Feng-Xia; Liu, Yao; Wu, Rong-Rong; Zhang, Xi-Xiang; Sun, Ji-Rong; Shen, Bao-Gen

    2015-01-01

    Memory effect of electric-field control on magnetic behavior in magnetoelectric composite heterostructures has been a topic of interest for a long time. Although the piezostrain and its transfer across the interface of ferroelectric/ferromagnetic films are known to be important in realizing magnetoelectric coupling, the underlying mechanism for nonvolatile modulation of magnetic behaviors remains a challenge. Here, we report on the electric-field control of magnetic properties in wide-band (011)-Pr0.7Sr0.3MnO3/0.7Pb(Mg1/3Nb2/3)O3-0.3PbTiO3 heterostructures. By introducing an electric-field-induced in-plane anisotropic strain field during the cooling process from room temperature, we observe an in-plane anisotropic, nonvolatile modulation of magnetic properties in a wide-band Pr0.7Sr0.3MnO3 film at low temperatures. We attribute this anisotropic memory effect to the preferential seeding and growth of ferromagnetic (FM) domains under the anisotropic strain field. In addition, we find that the anisotropic, nonvolatile modulation of magnetic properties gradually diminishes as the temperature approaches FM transition, indicating that the nonvolatile memory effect is temperature dependent. By taking into account the competition between thermal energy and the potential barrier of the metastable magnetic state induced by the anisotropic strain field, this distinct memory effect is well explained, which provides a promising approach for designing novel electric-writing magnetic memories. PMID:25909177

  20. Anisotropic modulation of magnetic properties and the memory effect in a wide-band (011)-Pr0.7Sr0.3MnO3/PMN-PT heterostructure

    NASA Astrophysics Data System (ADS)

    Zhao, Ying-Ying; Wang, Jing; Kuang, Hao; Hu, Feng-Xia; Liu, Yao; Wu, Rong-Rong; Zhang, Xi-Xiang; Sun, Ji-Rong; Shen, Bao-Gen

    2015-04-01

    Memory effect of electric-field control on magnetic behavior in magnetoelectric composite heterostructures has been a topic of interest for a long time. Although the piezostrain and its transfer across the interface of ferroelectric/ferromagnetic films are known to be important in realizing magnetoelectric coupling, the underlying mechanism for nonvolatile modulation of magnetic behaviors remains a challenge. Here, we report on the electric-field control of magnetic properties in wide-band (011)-Pr0.7Sr0.3MnO3/0.7Pb(Mg1/3Nb2/3)O3-0.3PbTiO3 heterostructures. By introducing an electric-field-induced in-plane anisotropic strain field during the cooling process from room temperature, we observe an in-plane anisotropic, nonvolatile modulation of magnetic properties in a wide-band Pr0.7Sr0.3MnO3 film at low temperatures. We attribute this anisotropic memory effect to the preferential seeding and growth of ferromagnetic (FM) domains under the anisotropic strain field. In addition, we find that the anisotropic, nonvolatile modulation of magnetic properties gradually diminishes as the temperature approaches FM transition, indicating that the nonvolatile memory effect is temperature dependent. By taking into account the competition between thermal energy and the potential barrier of the metastable magnetic state induced by the anisotropic strain field, this distinct memory effect is well explained, which provides a promising approach for designing novel electric-writing magnetic memories.

  1. Anisotropically structured magnetic aerogel monoliths

    NASA Astrophysics Data System (ADS)

    Heiligtag, Florian J.; Airaghi Leccardi, Marta J. I.; Erdem, Derya; Süess, Martin J.; Niederberger, Markus

    2014-10-01

    Texturing of magnetic ceramics and composites by aligning and fixing of colloidal particles in a magnetic field is a powerful strategy to induce anisotropic chemical, physical and especially mechanical properties into bulk materials. If porosity could be introduced, anisotropically structured magnetic materials would be the perfect supports for magnetic separations in biotechnology or for magnetic field-assisted chemical reactions. Aerogels, combining high porosity with nanoscale structural features, offer an exceptionally large surface area, but they are difficult to magnetically texture. Here we present the preparation of anatase-magnetite aerogel monoliths via the assembly of preformed nanocrystallites. Different approaches are proposed to produce macroscopic bodies with gradient-like magnetic segmentation or with strongly anisotropic magnetic texture.Texturing of magnetic ceramics and composites by aligning and fixing of colloidal particles in a magnetic field is a powerful strategy to induce anisotropic chemical, physical and especially mechanical properties into bulk materials. If porosity could be introduced, anisotropically structured magnetic materials would be the perfect supports for magnetic separations in biotechnology or for magnetic field-assisted chemical reactions. Aerogels, combining high porosity with nanoscale structural features, offer an exceptionally large surface area, but they are difficult to magnetically texture. Here we present the preparation of anatase-magnetite aerogel monoliths via the assembly of preformed nanocrystallites. Different approaches are proposed to produce macroscopic bodies with gradient-like magnetic segmentation or with strongly anisotropic magnetic texture. Electronic supplementary information (ESI) available: Digital photographs of dispersions and gels with different water-to-ethanol ratios; magnetic measurements of an anatase aerogel containing 0.25 mol% Fe3O4 nanoparticles; XRD patterns of the iron oxide and

  2. A molecular-sized tunnel-porous crystal with a ratchet gear structure and its one-way guest-molecule transportation property

    NASA Astrophysics Data System (ADS)

    Kataoka, Keisuke; Yasumoto, Tetsuaki; Manabe, Yousuke; Sato, Hiroyasu; Yamano, Akihito; Katagiri, Toshimasa

    2013-01-01

    An anisotropic tunnel microporous crystal was prepared. Active transportation of anthracene as a guest molecule in the anisotropic tunnels was observed. The direction of anthracene movement implies that the anisotropic tunnel did not work as a flap-check valve. The direction of the movement was consistent with that caused by a Brownian ratchet.An anisotropic tunnel microporous crystal was prepared. Active transportation of anthracene as a guest molecule in the anisotropic tunnels was observed. The direction of anthracene movement implies that the anisotropic tunnel did not work as a flap-check valve. The direction of the movement was consistent with that caused by a Brownian ratchet. Electronic supplementary information (ESI) available. CCDC reference numbers 837539 and 837540. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c2nr30880k

  3. Work functions and transport properties of finite metallic hexaboride nanorods

    NASA Astrophysics Data System (ADS)

    Wang, Lu; Luo, Guangfu; Sabirianov, Renat F.; Mei, Wai-Ning; Valencia, Daniel; Sierra Llavina, Carlos H.; Lu, Jun-Qiang; Cheung, Chin Li

    2014-03-01

    We performed density functional theory calculations of finite metallic hexaboride LaB6 nanorods, which are regarded as good thermoelectric materials for their low work functions. Our purpose is to facilitate the research and manufacture of metal hexaboride probes, thus we study extensively the work functions and electron transport properties of these finite nanorods. The work functions were deducted from the calculated electrostatic potential and the Fermi energy. We found that these finite LaB6 nanorods have low work functions similar to their infinite counterpart. To further investigate the electron transport properties, we adopted the combined Landauer-Buttiker formalism and non-equilibrium Green's function technique to compute the transmission coefficients near the Fermi level and found that the finite LaB6 nanorods can be converted from metallic to semiconducting by applying a gate voltage larger than 10 V.

  4. Modeling transport properties of inhomogeneous superconductor-metal composites

    SciTech Connect

    Borroto, A.; Altshuler, E.; Del Río, L.; Arronte, M.; Johansen, T. H.

    2014-11-17

    We propose a model for a superconductor-metal composite that allows to derive intrinsic transport properties of the superconducting phase based on 2D images of its cross section, and a minimal set of parameters. The method is tested experimentally by using, as model composite, a “transversal bridge” made on a Bi{sub 2}Sr{sub 2}Ca{sub 2}Cu{sub 3}O{sub 10+x} (BSCCO)-Ag multi-filamentary tape. It is shown that the approach allows to predict the measured I−〈E〉 curves of the filaments. In addition, one can determine the critical current anisotropy between the longitudinal and transverse directions of the Ag-BSCCO tape, and also of its superconducting filaments separately, which emphasizes the role of the morphology of the composite in the transport properties.

  5. Transport properties and microstructural characteristics of a thermally cracked mylonite

    NASA Astrophysics Data System (ADS)

    Le Ravalec, M.; Darot, M.; Reuschlé, T.; Guéguen, Y.

    1996-03-01

    An experimental study was carried out on a granitic mylonite (La Bresse, France) to analyze the influence of pore microstructure on transport properties. Different crack networks were obtained by a controlled thermal treatment. Microstructures were analyzed by means of gas adsorption and mercury porosimetry. Transport properties have been investigated by measuring gas permeability and electrical conductivity. The dependence of permeability on confining pressure shows an exponential decrease, characteristic of a porosity made of cracks. Correlations between measured parameters have been analyzed by comparing them with relations deduced from theoretical models. Linking the formation factor to the porosity leads to a rather low tortuosity value (about 2.4), characterizing a medium with a well connected porosity. Correlation between permeability k and formation factor F leads to a power-law relation k ∝ F -n where n≈2.9, which is consistent with a crack model describing the behavior of the thermally treated rock.

  6. Relaxation and transport properties of liquid n-triacontane

    NASA Astrophysics Data System (ADS)

    Kondratyuk, N. D.; Lankin, A. V.; Norman, G. E.; Stegailov, V. V.

    2015-11-01

    Molecular modelling is used to calculate transport properties and to study relaxation of liquid n-triacontane (C30H62). The problem is important in connection with the behavior of liquid isolators in a pre-breakdown state. Two all-atom models and a united-atom model are used. Shear viscosity is calculated using the Green-Kubo formula. The force fields are compared with each other using the following criteria: the required time for one molecular dynamics step, the compliance of the main physical and transport properties with experimental values. The problem of the system equilibration is considered. The united-atom potential is used to model the n-triacontane liquid with an initial directional orientation. The time of relaxation to the disordered state, when all molecules orientations are randomized, are obtained. The influence of the molecules orientations on the shear viscosity value and the shear viscosity relaxation are treated.

  7. Low temperature transport properties of Ce-Al metallic glasses

    SciTech Connect

    Zeng, Q. S.; Rotundu, C. R.; Mao, W. L.; Dai, J. H.; Xiao, Y. M.; Chow, P.; Chen, X. J.; Qin, C. L.; Mao, H.-k.; Jiang, J. Z.

    2011-01-01

    The low temperature transport properties of Ce75- x Al25+ x (x = 0, 10, and 15 at. %) metallic glasses were investigated. Magnetic field and composition tuned magnetoresistances changing from negative to positive values were observed at low temperature. It was suggested that these peculiar phenomena were caused by the tunable competition between the Kondo effect and the Ruderman-Kittel-Kasuya-Yoshida interaction in Ce-Al metallic glass with the variation in Ce content and magnetic field. Further magnetization and Ce-2p3d resonant inelastic x-ray scattering spectroscopy measurements supported this scenario. These Ce-Al metallic glasses could provide an interesting model system for the investigation of 4f electron behaviors in complex condensed matter with tunable transport properties.

  8. CALIPSO observations of changes in dust properties during transatlantic transport

    NASA Astrophysics Data System (ADS)

    Marshak, A.; Yang, W.; Varnai, T.; Kostinski, A. B.

    2015-12-01

    The vertical distribution of dust shape and size is highly important for understanding and estimating dust radiative forcing. We used CALIPSO nighttime datasets to examine the vertical structure and evolution of Saharan dust during transatlantic transport. The results show that most Saharan dust is lifted to high altitude and descends after traveling thousands of km-s. Initially, the depolarization ratio and color ratio of Saharan dust are uniformly distributed along altitude, suggesting vertically constant particle size and shape distributions. During transport, the depolarization ratio of Saharan dust drops at lower altitudes, suggesting that particle shapes become less irregular; while at relatively high altitudes, the depolarization ratio of dust increases during transport. The changes observed during transport likely come from the effects of gravitational sorting caused by variations in particle shape and size. A simple model with only two shapes qualitatively captures these features and confirms that shape-induced differential settling contribute significantly to the observed vertical stratification of dust properties. In addition, the effect of clouds on dust properties will be also discussed.

  9. Dynamic modulation of the transport properties of the LaAl O3/SrTi O3 interface using uniaxial strain

    NASA Astrophysics Data System (ADS)

    Zhang, Fan; Fang, Yue-Wen; Chan, Ngai Yui; Lo, Wing Chong; Li, Dan Feng; Duan, Chun-Gang; Ding, Feng; Dai, Ji Yan

    2016-06-01

    Among the interfacial transport modulations to the LaAl O3/SrTi O3 (LAO/STO) heterostructure, mechanical strain has been proven to be an effective approach by growing the LAO/STO films on different substrates with varying lattice mismatches to STO. However, this lattice-mismatch-induced strain effect is static and biaxial, hindering the study of the strain effect in a dynamic way. In this work we realize dynamic and uniaxial strain to the LAO/STO oxide heterostructure at low temperature, through mechanical coupling from a magnetostrictive template. This anisotropic strain results in symmetry breaking at the interface and induces further splitting of the electronic band structure and therefore produces different conductivities along the x and y in-plane directions. In particular, we observe that along the strained direction the interface conductivity decreases by up to 70 % under a tensile strain, while it increases by 6.8 % under a compressive strain at 2 K. Also, it is revealed that the modulation on the interfacial transport property can be anisotropic, i.e., the resistance changes differently when an excitation current is parallel or perpendicular to the strain direction. This approach of strain engineering provides another degree of freedom for control of transport properties of oxide heterostructures and opens an additional way to investigate strain effects in materials science.

  10. Path-Integration Computation of the Transport Properties of Nanoparticles

    NASA Astrophysics Data System (ADS)

    Douglas, Jack

    2014-03-01

    There is need for effective computational methods for calculating the transport properties of polymers and complex-shaped particle aggregates arising in materials science and biology as a foundation for rational material design and the design of well-defined measurements assessing the environmental impact of nanoparticles. We focus on the problem of calculating basic solution transport properties (translational diffusion coefficient, intrinsic viscosity) of isolated particles having essentially any geometry using a novel computational method involving path integration developed by Mansfield and Douglas. The basic concepts behind the method are described and the method is validated in cases where exact analytic, or at least highly accurate numerical estimates, are known for comparison. After defining and validating our method, some applications of the program are given to some non-trivial problems illustrating the use of the program for charactering such as nanoparticles with grafted DNA brush layers, DNA orgami, carbon nanotubes, etc. The path-integration method is evidently a powerful tool for computing basic transport properties of complex-shaped objects and should find wide application in polymer science, nanotechnological applications and biology.

  11. Thermomagnetic transport properties of ferromagnetic MnBi

    NASA Astrophysics Data System (ADS)

    Boona, Stephen; Heremans, Joseph

    Spin-dependent transport phenomena such as the spin Seebeck effect and magnon drag offer intriguing new possibilities for tuning the thermoelectric properties of magnetically ordered materials. One particularly interesting approach is to examine magnetic materials that are expected to display large intrinsic spin orbit coupling, such as MnBi. In spite of this material's popularity as a candidate for rare-earth free permanent magnets, no studies have been published so far concerning its Seebeck or Nernst coefficients. This talk will discuss our recent measurements of the thermomagnetic properties of high purity polycrystalline MnBi between 2K and 385K and in magnetic fields up to 7T. Our measurements reveal the existence of a substantial anomalous Nernst effect (ANE) from 382K down to the spin reorientation temperature of 90K, while the other transport phenomena show relatively weak magnetic field dependence at all temperatures. We also observe that the Seebeck and ANE coefficients display strikingly similar temperature dependence, with the former peaking at approximately -10 μV/K and the latter at approximately -2.5 μV/K/T, hinting at the important role of spin-dependent processes in determining the transport properties of this material.

  12. Modeling Saharan dust emissions, transport, deposition, and optical properties

    NASA Astrophysics Data System (ADS)

    Colarco, Peter Richard

    We simulate Saharan dust emissions, transport, and removal with a three-dimensional aerosol transport model driven by assimilated meteorology. We explore dust distributions and optical properties for model runs over the tropical North Atlantic for time periods covering the ACE-2 (summer 1997, Canary Islands) and PRIDE (summer 2000, Puerto Rico) field experiments. Modeled dust fields are compared to ground-based, in situ, and satellite observations. Dust imaginary refractive index and single scatter albedo at UV wavelengths are inferred near source regions by computing the TOMS Aerosol Index from modeled dust fields. Our results indicate a dust aerosol that is considerably less absorbing than previous estimates. The timing of downwind dust events is generally uncorrelated with the details of the dust source process, indicating the dust exists in a persistent reservoir over source regions and the timing of its transport to remote regions is most strongly controlled by the transporting dynamics. Our model simulates the complicated vertical distributions of dust observed over Puerto Rico. The dust vertical distribution is controlled by sedimentation of dust particles and a general descending air motion over the tropical North Atlantic. Low-level dust can be transported directly from source regions, but the majority of it is efficiently eroded away in transit by wet removal processes. Our computed estimates of iron deposition fluxes into the North Atlantic are in reasonable agreement with estimates based on station data.

  13. Theoretical study of anisotropic MHD turbulence with low magnetic Reynolds number

    NASA Astrophysics Data System (ADS)

    Sukoriansky, Semion; Zemach, Efi

    2016-03-01

    Flows of electrically conducting fluids under the action of external magnetic field present an example of strongly anisotropic turbulence. Such flows are not only important for different engineering applications, but also provide an interesting framework for studies of quasi-two-dimensional turbulence with strongly modified transport properties in easily controllable laboratory experiments. We present theoretical results that advance our understanding of magnetohydrodynamic (MHD) flows with low magnetic Reynolds number by treating this phenomenon within the quasi-normal scale elimination (QNSE) theory. Previous applications of the theory to turbulent flows with stable stratification and solid body rotation have demonstrated that QNSE is a powerful tool for studies of anisotropic turbulent flows. We derive expressions for scale-dependent eddy viscosities and eddy diffusivities in the directions parallel and normal to the external magnetic field and investigate progressive anisotropization of turbulent transport of momentum and passive scalar. The theory yields analytical expressions for anisotropic one-dimensional spectra of MHD turbulence. In particular, the theory sheds light upon the modification of the Kolmogorov k-5/3 spectrum by anisotropic Ohmic (Joule) dissipation.

  14. The magnetic and transport properties of template-synthesized carbon-based and related nanomaterials

    NASA Astrophysics Data System (ADS)

    Friedman, Adam Louis

    that the contact resistances, which are normally on the order of mega-ohms for these tubes, can be lowered to the order of kilo-ohms by annealing in H 2/Ar atmosphere. We find that the disorder in these carbon nanotubes allows for the uptake of H during the annealing process. These H-complex hydrogen impurities, along with C and H adatoms, induce ferromagnetism in the carbon nanotubes. We carry out a magnetic study on the annealed carbon nanotubes. Moreover, the ferromagnetism of the carbon nanotubes results in hysteric magnetoresistance. We study this effect, attributing it to strong magneto-viscosity effects and anisotropic magnetoresistance. We also study the transport and magnetotransport properties of the annealed carbon nanotubes as a function of temperature and inner diameter. We find that there is an order-disorder transition that occurs at lower temperatures that resembles behavior predicted in disordered carbon fibers by the Bright model. We also find that the nanotubes behave as one-dimensional Luttinger liquids. Finally, as a means of comparison, we fabricate and study the properties of monolayer graphene devices.

  15. Effects of surface modification of Nd-Fe-B powders using parylene C by CVDP method on the properties of anisotropic bonded Nd-Fe-B magnets

    NASA Astrophysics Data System (ADS)

    Ma, Bin; Sun, Aizhi; Lu, Zhenwen; Cheng, Chuan; Xu, Chen

    2016-10-01

    This paper presents effects of surface modification of Nd-Fe-B powders using parylene C by means of chemical vapor deposition polymerization (CVDP) on the properties of anisotropic bonded Nd-Fe-B magnets. It can be well verified from SEM images and EDS analysis that the surface of Nd-Fe-B powder is coated with thin parylene C films. The maximum energy product ((BH)max), degree of alignment (DOA), actual density and corrosion resistance of parylene Nd-Fe-B magnets prepared at room temperature are much higher than that of non-parylene Nd-Fe-B magnets. (BH)max, DOA and actual density of parylene Nd-Fe-B magnets (70 kJ/m3, 0.342, 5.82 g/cm3) prepared at room temperature under 578 MPa are improved by 18.6%, 4.6%, 2.1% and 27.3%, 29.1%, 7.8% compared with non-parylene Nd-Fe-B magnets prepared at 140 °C (59 kJ/m3, 0327, 5.70 g/cm3) and room temperature (55 kJ/m3, 0.265, 5.40 g/cm3), respectively. Additional, the improvement of actual density and the room temperature process also solve problems such as powders' sticking wall, non-uniform powder filling, non-uniform magnetic properties, seriously mould damage, short life cycle of mould and so on, which exists during warm compaction process. Parylene Nd-Fe-B magnets have better corrosion resistance and worse mechanical properties than that of non-parylene Nd-Fe-B magnets. The reason for the improvement of magnetic properties and actual density is the low friction cofficient of parylene C films, which results in lower frictional resistance and better lubricating property of parylene Nd-Fe-B powders.

  16. Spin Dependent Transport Properties of Metallic and Semiconducting Nanostructures

    NASA Astrophysics Data System (ADS)

    Sapkota, Keshab R.

    Present computing and communication devices rely on two different classes of technologies; information processing devices are based on electrical charge transport in semiconducting materials while information storage devices are based on orientation of electron spins in magnetic materials. A realization of a hybrid-type device that is based on charge as well as spin properties of electrons would perform both of these actions thereby enhancing computation power to many folds and reducing power consumptions. This dissertation focuses on the fabrication of such spin-devices based on metallic and semiconducting nanostructures which can utilize spin as well as charge properties of electrons. A simplified design of the spin-device consists of a spin injector, a semiconducting or metallic channel, and a spin detector. The channel is the carrier of the spin signal from the injector to the detector and therefore plays a crucial role in the manipulation of spin properties in the device. In this work, nanostructures like nanowires and nanostripes are used to function the channel in the spin-device. Methods like electrospinning, hydrothermal, and wet chemical were used to synthesize nanowires while physical vapor deposition followed by heat treatment in controlled environment was used to synthesis nanostripes. Spin-devices fabrication of the synthesized nanostructures were carried out by electron beam lithography process. The details of synthesis of nanostructures, device fabrication procedures and measurement techniques will be discussed in the thesis. We have successfully fabricated the spin-devices of tellurium nanowire, indium nanostripe, and indium oxide nanostripe and studied their spin transport properties for the first time. These spin-devices show large spin relaxation length compared to normal metals like copper and offer potentials for the future technologies. Further, Heusler alloys nanowires like nanowires of Co 2FeAl were synthesized and studied for electrical

  17. Hydraulic Conductivity Distributions for Anisotropic Systems and Application to Tc Transport at the U.S. Department of Energy Hanford Site

    SciTech Connect

    Hunt, A. G.

    2006-01-06

    Abstract: At the United States Department of Energy Hanford Site a spill of radioactive Technetium has been migrating horizontally in the vadose zone rather than flowing vertically to the water table. This result has been interpreted as being due to horizontal anisotropy in the hydraulic conductivity, K, (a tendency for fluids to migrate more easily in the horizontal direction) due to high horizontal connectivity of sedimentary deposits with a tendency for larger values of K. Such layers have larger components of silt and clay than the predominantly sandy soils at the Hanford site. It is generally accepted that effects of such anisotropy tend to be greater at smaller length scales, probably because of the lack of perfect correlations at large length scales. It has also been suggested that this anisotropy in K is maximized under relatively dry conditions when finer soils (with smaller pores) trap moisture more effectively than sands and gravels. The random component of the distribution of the Hanford flood deposits requires a probabilistic framework for the calculation of K. The work on this project had two main components: 1) to use continuum percolation theory applied to random fractal models to produce a general framework for calculating distributions of K under anisotropic conditions and as a function of system scale, 2) to apply the scheme for calculation to the Hanford site. The results of the general calculation (submitted for publication in Philosophical Magazine) are that the mean horizontal and vertical K values become equal in the limit of large system size (in agreement with general perception above) while the distributions of K values cause significant overlap of expected experimental values of K in the vertical and horizontal directions already at intermediate length scales. In order to make these calculation specific to the Hanford site, however, values of the appropriate length scales to describe the Hanford subsurface as well as to describe the

  18. Linear elastic properties derivation from microstructures representative of transport parameters.

    PubMed

    Hoang, Minh Tan; Bonnet, Guy; Tuan Luu, Hoang; Perrot, Camille

    2014-06-01

    It is shown that three-dimensional periodic unit cells (3D PUC) representative of transport parameters involved in the description of long wavelength acoustic wave propagation and dissipation through real foam samples may also be used as a standpoint to estimate their macroscopic linear elastic properties. Application of the model yields quantitative agreement between numerical homogenization results, available literature data, and experiments. Key contributions of this work include recognizing the importance of membranes and properties of the base material for the physics of elasticity. The results of this paper demonstrate that a 3D PUC may be used to understand and predict not only the sound absorbing properties of porous materials but also their transmission loss, which is critical for sound insulation problems. PMID:24907783

  19. Radiation Transport Properties of Polyethylene-Fiber Composites

    NASA Technical Reports Server (NTRS)

    Kaul, Raj K.; Barghouty, A. F.; Dahche, H. M.

    2003-01-01

    Composite materials that can both serve as effective shielding materials against cosmic-ray and energetic solar particles in deep space as well as structural materials for habitat and spacecraft remain a critical and mission enabling piece in mission planning and exploration. Polyethylene is known to have excellent shielding properties due to its low density coupled with high hydrogen content. Polyethylene fiber reinforced composites promise to combine this shielding effectiveness with the required mechanical properties of structural materials. Samples of Polyethylene-fiber reinforced epoxy matrix composite 1-5 cm thick were prepared at NASA's Marshall Space Flight Center and tested against 500 MeV/nucleon Fe beam at the HIMAC facility of NIRS in Chiba, Japan. This paper presents measured and calculated results for the radiation transport properties of these samples.

  20. Space radiation transport properties of polyethylene-based composites

    NASA Technical Reports Server (NTRS)

    Kaul, R. K.; Barghouty, A. F.; Dahche, H. M.

    2004-01-01

    Composite materials that can serve as both effective shielding materials against cosmic-ray and energetic solar particles in deep space, as well as structural materials for habitat and spacecraft, remain a critical and mission enabling component in mission planning and exploration. Polyethylene is known to have excellent shielding properties due to its low density, coupled with high hydrogen content. Polyethylene-fiber reinforced composites promise to combine this shielding effectiveness with the required mechanical properties of structural materials. Samples of polyethylene-fiber reinforced epoxy matrix composite 1-5 cm thick were prepared at the NASA Marshall Space Flight Center and tested against a 500 MeV/nucleon Fe beam at the HIMAC facility of NIRS in Chiba, Japan. This paper presents measured and calculated results for the radiation transport properties of these samples.

  1. Semiconducting black phosphorus: synthesis, transport properties and electronic applications.

    PubMed

    Liu, Han; Du, Yuchen; Deng, Yexin; Ye, Peide D

    2015-05-01

    Phosphorus is one of the most abundant elements preserved in earth, and it comprises a fraction of ∼0.1% of the earth crust. In general, phosphorus has several allotropes, and the two most commonly seen allotropes, i.e. white and red phosphorus, are widely used in explosives and safety matches. In addition, black phosphorus, though rarely mentioned, is a layered semiconductor and has great potential in optical and electronic applications. Remarkably, this layered material can be reduced to one single atomic layer in the vertical direction owing to the van der Waals structure, and is known as phosphorene, in which the physical properties can be tremendously different from its bulk counterpart. In this review article, we trace back to the research history on black phosphorus of over 100 years from the synthesis to material properties, and extend the topic from black phosphorus to phosphorene. The physical and transport properties are highlighted for further applications in electronic and optoelectronics devices.

  2. Simultaneous Measurement of Thermal Diffusivity and Thermal Conductivity by Means of Inverse Solution for One-Dimensional Heat Conduction (Anisotropic Thermal Properties of CFRP for FCEV)

    NASA Astrophysics Data System (ADS)

    Kosaka, Masataka; Monde, Masanori

    2015-11-01

    For safe and fast fueling of hydrogen in a fuel cell electric vehicle at hydrogen fueling stations, an understanding of the heat transferred from the gas into the tank wall (carbon fiber reinforced plastic (CFRP) material) during hydrogen fueling is necessary. Its thermal properties are needed in estimating heat loss accurately during hydrogen fueling. The CFRP has anisotropic thermal properties, because it consists of an adhesive agent and layers of the CFRP which is wound with a carbon fiber. In this paper, the thermal diffusivity and thermal conductivity of the tank wall material were measured by an inverse solution for one-dimensional unsteady heat conduction. As a result, the thermal diffusivity and thermal conductivity were 2.09 × 10^{-6}{ m}2{\\cdot }{s}^{-1} and 3.06{ W}{\\cdot }{m}{\\cdot }^{-1}{K}^{-1} for the axial direction, while they were 6.03 × 10^{-7} {m}2{\\cdot }{s}^{-1} and 0.93 {W}{\\cdot }{m}^{-1}{\\cdot }{K}^{-1} for the radial direction. The thermal conductivity for the axial direction was about three times higher than that for the radial direction. The thermal diffusivity shows the same trend in both directions because the thermal capacity, ρ c, is independent of direction, where ρ is the density and c is the heat capacity.

  3. Small molecules with ambipolar transporting properties for efficient OLEDs

    NASA Astrophysics Data System (ADS)

    Duan, Lian; Wei, Peng; Qiu, Yong

    2007-11-01

    For stable and efficienct organic light-emitting diodes, it is essential to find molecules with high photoluminescent efficiency, little self-quenching and balanced charge transporting properties. Recently, we've designed and synthesized some highly emissive naphtho[2,3-c][1,2,5]thiadiazole (NTD) derivatives and naphtho[2,3-c][1,2,5]selenadiazole (NSeD) derivatives with unusual ambipolar transporting properties. The ambipolar transporting properties of the NTDs were explained by Marcus theory with carrier reorganization energies and charge-transfer integrals. We obtained high quality single crystals of 4,9-di(biphenyl-4-yl)-naphtho[2,3-c][1,2,5]thiadiazole (NTD02) and 4,9-bis(4-(2,2-diphenylvinyl)phenyl)-naphtho[2,3-c][1,2,5]thiadiazole (NTD05). They have disordered NTD rings' orientation with the opposite directions in the center of the molecule because of NTD's planar configuration and the single-bond connection with the phenyl substituents. The packing structure of NTD02 shows the planar arrangement of NTD rings, forming a "charge transporting channel". Quantum calculation also confirms that the π-π stacking interaction in NTD derivatives benefits the charge transporting via intermolecular hopping on NTD rings. The hole and electron mobilities of NTD05 are 7.16×10 -4 cm2/VÂ.s and 6.19×10 -4 cm2/V•s at an electronic field E = 2.0×10 5 V/cm, respectively. The hole mobility of NTD05 is close to that of N,N'-diphenyl-N,N'-bis(1-naphthyl)(1,1'-biphenyl)-4,4'-diamine (NPB) and the electron mobility of NTD05 is two orders-of-magnitude higher than that of tris(8-hydroxyquinoline) aluminum (Alq 3). For the NTD derivatives, NTD05 also shows the best performance in non-doped OLEDs. CIE coordinates of (0.65, 0.35) and a peak efficiency of 2.4% are achieved for a double layer OLED with NPB as the hole transporting layer and NTD05 as the emitting layer. Moreover, we get ultimate red emission with CIE coordinates of (0.71, 0.29) for some of the NSeD based non

  4. Red Cell Properties after Different Modes of Blood Transportation

    PubMed Central

    Makhro, Asya; Huisjes, Rick; Verhagen, Liesbeth P.; Mañú-Pereira, María del Mar; Llaudet-Planas, Esther; Petkova-Kirova, Polina; Wang, Jue; Eichler, Hermann; Bogdanova, Anna; van Wijk, Richard; Vives-Corrons, Joan-Lluís; Kaestner, Lars

    2016-01-01

    Transportation of blood samples is unavoidable for assessment of specific parameters in blood of patients with rare anemias, blood doping testing, or for research purposes. Despite the awareness that shipment may substantially alter multiple parameters, no study of that extent has been performed to assess these changes and optimize shipment conditions to reduce transportation-related artifacts. Here we investigate the changes in multiple parameters in blood of healthy donors over 72 h of simulated shipment conditions. Three different anticoagulants (K3EDTA, Sodium Heparin, and citrate-based CPDA) for two temperatures (4°C and room temperature) were tested to define the optimal transportation conditions. Parameters measured cover common cytology and biochemistry parameters (complete blood count, hematocrit, morphological examination), red blood cell (RBC) volume, ion content and density, membrane properties and stability (hemolysis, osmotic fragility, membrane heat stability, patch-clamp investigations, and formation of micro vesicles), Ca2+ handling, RBC metabolism, activity of numerous enzymes, and O2 transport capacity. Our findings indicate that individual sets of parameters may require different shipment settings (anticoagulants, temperature). Most of the parameters except for ion (Na+, K+, Ca2+) handling and, possibly, reticulocytes counts, tend to favor transportation at 4°C. Whereas plasma and intraerythrocytic Ca2+ cannot be accurately measured in the presence of chelators such as citrate and EDTA, the majority of Ca2+-dependent parameters are stabilized in CPDA samples. Even in blood samples from healthy donors transported using an optimized shipment protocol, the majority of parameters were stable within 24 h, a condition that may not hold for the samples of patients with rare anemias. This implies for as short as possible shipping using fast courier services to the closest expert laboratory at reach. Mobile laboratories or the travel of the patients to

  5. Red Cell Properties after Different Modes of Blood Transportation.

    PubMed

    Makhro, Asya; Huisjes, Rick; Verhagen, Liesbeth P; Mañú-Pereira, María Del Mar; Llaudet-Planas, Esther; Petkova-Kirova, Polina; Wang, Jue; Eichler, Hermann; Bogdanova, Anna; van Wijk, Richard; Vives-Corrons, Joan-Lluís; Kaestner, Lars

    2016-01-01

    Transportation of blood samples is unavoidable for assessment of specific parameters in blood of patients with rare anemias, blood doping testing, or for research purposes. Despite the awareness that shipment may substantially alter multiple parameters, no study of that extent has been performed to assess these changes and optimize shipment conditions to reduce transportation-related artifacts. Here we investigate the changes in multiple parameters in blood of healthy donors over 72 h of simulated shipment conditions. Three different anticoagulants (K3EDTA, Sodium Heparin, and citrate-based CPDA) for two temperatures (4°C and room temperature) were tested to define the optimal transportation conditions. Parameters measured cover common cytology and biochemistry parameters (complete blood count, hematocrit, morphological examination), red blood cell (RBC) volume, ion content and density, membrane properties and stability (hemolysis, osmotic fragility, membrane heat stability, patch-clamp investigations, and formation of micro vesicles), Ca(2+) handling, RBC metabolism, activity of numerous enzymes, and O2 transport capacity. Our findings indicate that individual sets of parameters may require different shipment settings (anticoagulants, temperature). Most of the parameters except for ion (Na(+), K(+), Ca(2+)) handling and, possibly, reticulocytes counts, tend to favor transportation at 4°C. Whereas plasma and intraerythrocytic Ca(2+) cannot be accurately measured in the presence of chelators such as citrate and EDTA, the majority of Ca(2+)-dependent parameters are stabilized in CPDA samples. Even in blood samples from healthy donors transported using an optimized shipment protocol, the majority of parameters were stable within 24 h, a condition that may not hold for the samples of patients with rare anemias. This implies for as short as possible shipping using fast courier services to the closest expert laboratory at reach. Mobile laboratories or the travel of the

  6. Red Cell Properties after Different Modes of Blood Transportation.

    PubMed

    Makhro, Asya; Huisjes, Rick; Verhagen, Liesbeth P; Mañú-Pereira, María Del Mar; Llaudet-Planas, Esther; Petkova-Kirova, Polina; Wang, Jue; Eichler, Hermann; Bogdanova, Anna; van Wijk, Richard; Vives-Corrons, Joan-Lluís; Kaestner, Lars

    2016-01-01

    Transportation of blood samples is unavoidable for assessment of specific parameters in blood of patients with rare anemias, blood doping testing, or for research purposes. Despite the awareness that shipment may substantially alter multiple parameters, no study of that extent has been performed to assess these changes and optimize shipment conditions to reduce transportation-related artifacts. Here we investigate the changes in multiple parameters in blood of healthy donors over 72 h of simulated shipment conditions. Three different anticoagulants (K3EDTA, Sodium Heparin, and citrate-based CPDA) for two temperatures (4°C and room temperature) were tested to define the optimal transportation conditions. Parameters measured cover common cytology and biochemistry parameters (complete blood count, hematocrit, morphological examination), red blood cell (RBC) volume, ion content and density, membrane properties and stability (hemolysis, osmotic fragility, membrane heat stability, patch-clamp investigations, and formation of micro vesicles), Ca(2+) handling, RBC metabolism, activity of numerous enzymes, and O2 transport capacity. Our findings indicate that individual sets of parameters may require different shipment settings (anticoagulants, temperature). Most of the parameters except for ion (Na(+), K(+), Ca(2+)) handling and, possibly, reticulocytes counts, tend to favor transportation at 4°C. Whereas plasma and intraerythrocytic Ca(2+) cannot be accurately measured in the presence of chelators such as citrate and EDTA, the majority of Ca(2+)-dependent parameters are stabilized in CPDA samples. Even in blood samples from healthy donors transported using an optimized shipment protocol, the majority of parameters were stable within 24 h, a condition that may not hold for the samples of patients with rare anemias. This implies for as short as possible shipping using fast courier services to the closest expert laboratory at reach. Mobile laboratories or the travel of the

  7. Predicting radiative transport properties of plasma sprayed porous ceramics

    NASA Astrophysics Data System (ADS)

    Wang, B. X.; Zhao, C. Y.

    2016-03-01

    The typical yttria-stabilized zirconia material for making the thermal barrier coatings (TBCs) is intrinsically semitransparent to thermal radiation, and the unique disordered microstructures in TBCs make them surprisingly highly scattering. To quantitatively understand the influence of disordered microstructures, this paper presents a quantitative prediction on the radiative properties, especially the transport scattering coefficient of plasma sprayed TBC based on microstructure analysis and rigorous electromagnetic theory. The impact of the porosity, shape, size, and orientation of different types of voids on transport scattering coefficient is comprehensively investigated under the discrete dipole approximation. An inverse model integrating these factors together is then proposed to quantitatively connect transport scattering coefficient with microstructural information, which is also validated by available experimental data. Afterwards, an optimization procedure is carried out based on this model to obtain the optimal size and orientation distribution of the microscale voids to achieve the maximal radiation insulation performance at different operating temperatures, providing guidelines for practical coating design and fabrication. This work suggests that the current model is effective and also efficient for connecting scattering properties to microstructures and can be implemented as a quantitative tool for further studies like non-destructive infrared imaging as well as micro/nanoscale thermal design of TBCs.

  8. Influence of biofilms on transport properties in porous media

    NASA Astrophysics Data System (ADS)

    Davit, Y.

    2015-12-01

    Microbial activity and biofilm growth in porous media can drastically modify transport properties such as permeability, longitudinal and transverse dispersion or effective reaction rates. Understanding these effects has proven to be a considerable challenge. Advances in this field have been hindered by the difficulty of modeling and visualizing these multi-phase non-linear effects across a broad range of spatial and temporal scales. To address these issues, we are developing a strategy that combines imaging techniques based on x-ray micro-tomography with homogenization of pore-scale transport equations. Here, we review recent progress in x-ray imaging of biofilms in porous media, with a particular focus on the contrast agents that are used to differentiate between the fluid and biofilm phases. We further show how the 3D distribution of the different phases can be used to extract specific information about the biofilm and how effective properties can be calculated via the resolution of closure problems. These closure problems are obtained using the method of volume averaging and must be adapted to the problem of interest. In hydrological systems, we show that a generic formulation for reactive solute transport is based on a domain decomposition approach at the micro-scale yielding macro-scale models reminiscent of multi-rate mass transfer approaches.

  9. Upscaling flow and transport properties in synthetic porous media

    NASA Astrophysics Data System (ADS)

    Jasinski, Lukasz; Dabrowski, Marcin

    2015-04-01

    Flow and transport through the porous media has instances in nature and industry: contaminant migration in geological formations, gas/oil extraction from proppant filled hydraulic fractures and surrounding porous matrix, underground carbon dioxide sequestration and many others. We would like to understand the behavior of propagating solute front in such medium, mainly flow preferential pathways and the solute dispersion due to the porous medium geometry. The motivation of our investigation is to find connection between the effective flow and transport properties and porous media geometry in 2D and 3D for large system sizes. The challenge is to discover a good way of upscaling flow and transport processes to obtain results comparable to these calculated on pore-scale in much faster way. We study synthetic porous media made of densely packed poly-disperse disk-or spherical-shaped grains in 2D and 3D, respectively. We use various protocols such as the random sequential addition (RSA) algorithm to generate densely packed grains. Imposed macroscopic pressure gradient invokes fluid flow through the pore space of generated porous medium samples. As the flow is considered in the low Reynolds number regime, a stationary velocity field is obtained by solving the Stokes equations by means of finite element method. Void space between the grains is accurately discretized by using body-fitting triangular or tetrahedral mesh. Finally, pure advection of a front carried by the velocity field is studied. Periodicity in all directions is applied to microstructure, flow and transport processes. Effective permeability of the media can be calculated by integrating the velocity field on cross sections, whereas effective dispersion coefficient is deduced by application of centered moment methods on the concentration field of transported solute in time. The effective parameters are investigated as a function of geometrical parameters of the media, such as porosity, specific surface area

  10. Reservoir transport and poroelastic properties from oscillating pore pressure experiments

    NASA Astrophysics Data System (ADS)

    Hasanov, Azar K.

    Hydraulic transport properties of reservoir rocks, permeability and storage capacity are traditionally defined as rock properties, responsible for the passage of fluids through the porous rock sample, as well as their storage. The evaluation of both is an important part of any reservoir characterization workflow. Moreover, permeability and storage capacity are main inputs into any reservoir simulation study, routinely performed by reservoir engineers on almost any major oil and gas field in the world. An accurate reservoir simulation is essential for production forecast and economic analysis, hence the transport properties directly control the profitability of the petroleum reservoir and their estimation is vital for oil and gas industry. This thesis is devoted to an integrated study of reservoir rocks' hydraulic, streaming potential and poroelastic properties as measured with the oscillating pore pressure experiment. The oscillating pore pressure method is traditionally used to measure hydraulic transport properties. We modified the method and built an experimental setup, capable of measuring all aforementioned rock properties simultaneously. The measurements were carried out for four conventional reservoir-rock quality samples at a range of oscillation frequencies and effective stresses. An apparent frequency dependence of permeability and streaming potential coupling coefficient was observed. Measured frequency dispersion of drained poroelastic properties indicates an intrinsically inelastic nature of the porous mineral rock frame. Standard Linear Model demonstrated the best fit to the experimental dispersion data. Pore collapse and grain crushing effects took place during hydrostatic loading of the dolomitic sample and were observed in permeability, coupling coefficient and poroelastic measurements simultaneously. I established that hydraulically-measured storage capacities are overestimated by almost one order of magnitude when compared to elastically

  11. Morphologic and transport properties of natural organic floc

    USGS Publications Warehouse

    Larsen, L.G.; Harvey, J.W.; Crimaldi, J.P.

    2009-01-01

    The morphology, entrainment, and settling of suspended aggregates ("floc") significantly impact fluxes of organic carbon, nutrients, and contaminants in aquatic environments. However, transport properties of highly organic floc remain poorly understood. In this study detrital floc was collected in the Florida Everglades from two sites with different abundances of periphyton for use in a settling column and in racetrack flume entrainment experiments. Although Everglades flocs are similar to other organic aggregates in terms of morphology and settling rates, they tend to be larger and more porous than typical mineral flocs because of biostabilization processes and relatively low prevailing shear stresses typical of wetlands. Flume experiments documented that Everglades floc was entrained at a low bed shear stress of 1.0 ?? 10-2 Pa, which is considerably smaller than the typical entrainment threshold of mineral floc. Because of similarities between Everglades floc and other organic floc populations, floc transport characteristics in the Everglades typify the behavior of floc in other organic-rich shallow-water environments. Highly organic floc is more mobile than less organic floc, but because bed shear stresses in wetlands are commonly near the entrainment threshold, wetland floc dynamics are often transport-limited rather than supply limited. Organic floc transport in these environments is therefore governed by the balance between entrainment and settling fluxes, which has implications for ecosystem metabolism, materials cycling, and even landscape evolution. Copyright 2009 by the American Geophysical Union.

  12. RELATIONSHIP BETWEEN SOLUTE TRANSPORT PROPERTIES AND TISSUE MORPHOLOGY IN HUMAN ANNULUS FIBROSUS

    PubMed Central

    Travascio, Francesco; Jackson, Alicia R.; Brown, Mark D.; Gu, Wei Yong

    2009-01-01

    Poor nutritional supply to the intervertebral disc is believed to be an important factor leading to disc degeneration. However, little is known regarding anisotropic and inhomogeneous transport in human annulus fibrosus (AF) and its relation to tissue morphology. We hypothesized that solute diffusivity in human AF is anisotropic and inhomogeneous and that transport behaviors are associated with tissue composition and structure. To test these hypotheses, we measured the direction-dependent diffusivity of a fluorescent molecule (fluorescein, 332Da) in three regions of AF using a fluorescence recovery after photobleaching (FRAP) technique, and associated transport results to the regional variation in water content and collagen architecture in the tissue. It was found that diffusivity in AF was anisotropic, with higher values in the axial direction than in the radial direction for all regions investigated. The values of the diffusion coefficient ranged from 0.38±0.25×10−6 cm2/s (radial diffusivity in outer AF) to 2.68±0.84×10−6 cm2/s (axial diffusivity in inner AF). In both directions, diffusivity decreased moving from inner to outer AF. Tissue structure was investigated using both Scanning Electron Microscopy (SEM) and Environmental Scanning Electron Microscopy (ESEM) imaging. A unique arrangement of microtubes was found in human AF. Furthermore, we also found that the density of these microtubes varied moving from inner to outer AF. A similar trend of regional variation was found for water content, with the highest value also measured in inner AF. Therefore, we concluded that a relationship exists among the anisotropic and inhomogeneous diffusion in human AF and the structure and composition of the tissue. PMID:19489044

  13. Transport properties of individual C{sub 60}-molecules

    SciTech Connect

    Géranton, G.; Seiler, C.; Evers, F.; Bagrets, A.; Venkataraman, L.

    2013-12-21

    Electrical and thermal transport properties of C{sub 60} molecules are investigated with density-functional-theory based calculations. These calculations suggest that the optimum contact geometry for an electrode terminated with a single-Au atom is through binding to one or two C-atoms of C{sub 60} with a tendency to promote the  sp{sup 2}-hybridization into an  sp{sup 3}-type one. Transport in these junctions is primarily through an unoccupied molecular orbital that is partly hybridized with the Au, which results in splitting the degeneracy of the lowest unoccupied molecular orbital triplet. The transmission through these junctions, however, cannot be modeled by a single Lorentzian resonance, as our results show evidence of quantum interference between an occupied and an unoccupied orbital. The interference results in a suppression of conductance around the Fermi energy. Our numerical findings are readily analyzed analytically within a simple two-level model.

  14. Transport properties of zigzag graphene nanoribbon decorated with copper clusters

    NASA Astrophysics Data System (ADS)

    Berahman, M.; Sheikhi, M. H.

    2014-09-01

    Using non-equilibrium green function with density functional theory, the present study investigates the transport properties of decorated zigzag graphene nanoribbon with a copper cluster. We have represented the decoration of zigzag graphene nanoribbon with single copper atom and cluster containing two and three copper atoms. In all the cases, copper atoms tend to occupy the edge state. In addition, we have shown that copper can alter the current-voltage characteristic of zigzag graphene nanoribbon and create new fluctuations and negative differential resistance. These alternations are made due to discontinuity in the combination of orbitals along the graphene nanoribbon. Decoration alters these discontinuities and creates more visible fluctuations. However, in low bias voltages, the changes are similar in all the cases. The study demonstrates that in the decorated zigzag graphene nanoribbon, the edge states are the main states for transporting electron from one electrode to another.

  15. Transport properties of zigzag graphene nanoribbon decorated with copper clusters

    SciTech Connect

    Berahman, M.; Sheikhi, M. H.

    2014-09-07

    Using non-equilibrium green function with density functional theory, the present study investigates the transport properties of decorated zigzag graphene nanoribbon with a copper cluster. We have represented the decoration of zigzag graphene nanoribbon with single copper atom and cluster containing two and three copper atoms. In all the cases, copper atoms tend to occupy the edge state. In addition, we have shown that copper can alter the current-voltage characteristic of zigzag graphene nanoribbon and create new fluctuations and negative differential resistance. These alternations are made due to discontinuity in the combination of orbitals along the graphene nanoribbon. Decoration alters these discontinuities and creates more visible fluctuations. However, in low bias voltages, the changes are similar in all the cases. The study demonstrates that in the decorated zigzag graphene nanoribbon, the edge states are the main states for transporting electron from one electrode to another.

  16. Transport Properties of Negative Ions in HBR Plasmas

    NASA Astrophysics Data System (ADS)

    Stojanovic, Vladimir; Ivanovic, Nenad; Radmilovic-Radjenovic, Marija; Raspopovic, Zoran; Bojarov, Aleksandar; Petrovic, Zoran

    2014-10-01

    Low temperature plasma in halogenated gases is standard environment for dry etching of semiconductors. Amount of negative ions in HBr plasmas determines electronegativity so modeling etching devices requires data for anion transport properties. In this work we present cross section set for Br- ions in HBr assembled by using Denpoh-Nanbu theory. The threshold energy values were calculated by known heats of formation. The calculated total cross section accounts for ion-induced-dipole and ion-permanent-dipole interaction by using the local-dipole model. The total cross section was corrected to fit the reduced mobility obtained by SACM (Statistical Adiabatic Channel Model) approximation. Existing cross section measurements were used to scale calculated cross sections. Finally, we used Monte Carlo method to determine transport parameters for Br- as a function of reduced electric fields that can be used in fluid and hybrid plasma models.

  17. Structural and robustness properties of smart-city transportation networks

    NASA Astrophysics Data System (ADS)

    Zhang, Zhen-Gang; Ding, Zhuo; Fan, Jing-Fang; Meng, Jun; Ding, Yi-Min; Ye, Fang-Fu; Chen, Xiao-Song

    2015-09-01

    The concept of smart city gives an excellent resolution to construct and develop modern cities, and also demands infrastructure construction. How to build a safe, stable, and highly efficient public transportation system becomes an important topic in the process of city construction. In this work, we study the structural and robustness properties of transportation networks and their sub-networks. We introduce a complementary network model to study the relevance and complementarity between bus network and subway network. Our numerical results show that the mutual supplement of networks can improve the network robustness. This conclusion provides a theoretical basis for the construction of public traffic networks, and it also supports reasonable operation of managing smart cities. Project supported by the Major Projects of the China National Social Science Fund (Grant No. 11 & ZD154).

  18. Transport properties of ultrathin black phosphorus on hexagonal boron nitride

    NASA Astrophysics Data System (ADS)

    Doganov, Rostislav A.; Koenig, Steven P.; Yeo, Yuting; Watanabe, Kenji; Taniguchi, Takashi; Özyilmaz, Barbaros

    2015-02-01

    Ultrathin black phosphorus, or phosphorene, is a two-dimensional material that allows both high carrier mobility and large on/off ratios. Similar to other atomic crystals, like graphene or layered transition metal dichalcogenides, the transport behavior of few-layer black phosphorus is expected to be affected by the underlying substrate. The properties of black phosphorus have so far been studied on the widely utilized SiO2 substrate. Here, we characterize few-layer black phosphorus field effect transistors on hexagonal boron nitride—an atomically smooth and charge trap-free substrate. We measure the temperature dependence of the field effect mobility for both holes and electrons and explain the observed behavior in terms of charged impurity limited transport. We find that in-situ vacuum annealing at 400 K removes the p-doping of few-layer black phosphorus on both boron nitride and SiO2 substrates and reduces the hysteresis at room temperature.

  19. Low temperature carrier transport properties in isotopically controlled germanium

    SciTech Connect

    Itoh, K.

    1994-12-01

    Investigations of electronic and optical properties of semiconductors often require specimens with extremely homogeneous dopant distributions and precisely controlled net-carrier concentrations and compensation ratios. The previous difficulties in fabricating such samples are overcome as reported in this thesis by growing high-purity Ge single crystals of controlled {sup 75}Ge and {sup 70}Ge isotopic compositions, and doping these crystals by the neutron transmutation doping (NTD) technique. The resulting net-impurity concentrations and the compensation ratios are precisely determined by the thermal neutron fluence and the [{sup 74}Ge]/[{sup 70}Ge] ratios of the starting Ge materials, respectively. This method also guarantees unprecedented doping uniformity. Using such samples the authors have conducted four types of electron (hole) transport studies probing the nature of (1) free carrier scattering by neutral impurities, (2) free carrier scattering by ionized impurities, (3) low temperature hopping conduction, and (4) free carrier transport in samples close to the metal-insulator transition.

  20. Geophysical and transport properties of reservoir rocks. Summary annual report

    SciTech Connect

    Cook, N.G.W.

    1990-04-29

    Definition of petrophysical properties, such as porosity, permeability and fluid saturation, on the scale of meters, is the key to planning and control of successful Enhanced Oil Recovery techniques for domestic reservoirs. Macroscopic transport properties in reservoir rocks depend critically upon processes at the pore level involving interactions between the pore topology and the physical and chemical properties of the rock minerals and interstitial fluids. Similar interactions at the pore level determine also the macroscopic electrical and seismic properties of reservoir rocks. The objective of this research is to understand, using analysis and experiment, how fluids in pores affect the geophysical and sport properties of reservoir rocks. The goal is to develop equations-relating seismic and electrical properties of rock to the porosity, permeability and fluid saturations so as to invert geophysical images for improved reservoir management. Results from seismic measurements performed so far in this study suggest that even subtle changes in fluid contacts and the in-situ state of effective stress can be detected using geophysical imaging techniques. The experiments using Wood`s metal and wax are revealing the topology and sport properties of the pore space in clastic sedimentary rocks. A deeper understanding of these properties is considered-to be the key to the recovery of much of the mobile oil left in domestic reservoirs and to the effective management of enhanced oil recovery techniques. The results of Wood`s metal percolation tests indicate that most of the permeability of Berea sandstone resides in the critical percolating paths and these paths occupy only a small fraction of the total porosity. This result may have important implications for flooding in terms of override and efficiency as a function of saturation.

  1. Coefficients for calculating thermodynamic and transport properties of individual species

    NASA Technical Reports Server (NTRS)

    Mcbride, Bonnie J.; Gordon, Sanford; Reno, Martin A.

    1993-01-01

    Libraries of thermodynamic data and transport properties are given for individual species in the form of least-squares coefficients. Values of C(sup 0)(sub p)(T), H(sup 0)(T), and S(sup 0)(T) are available for 1130 solid, liquid, and gaseous species. Viscosity and thermal conductivity data are given for 155 gases. The original C(sup 0)(sub p)(T) values were fit to a fourth-order polynomial with integration constants for H(sup 0)(T) and S(sup 0)(T). For each species the integration constant for H(sup 0)(T) includes the heat of formation. Transport properties have a different functional form. The temperature range for most of the data is 300 to 5000 K, although some of the newer thermodynamic data have a range of 200 to 6000 K. Because the species are mainly possible products of reaction, the data are useful for chemical equilibrium and kinetics computer codes. Much of the data has been distributed for several years with the NASA Lewis equilibrium program CET89. The thermodynamic properties of the reference elements were updated along with about 175 species that involve the elements carbon, hydrogen, oxygen, and nitrogen. These sets of data will be distributed with the NASA Lewis personal computer program for calculating chemical equilibria, CETPC.

  2. Anisotropic and heterogeneous mechanical properties of a stratified shale/limestone sequence at Nash Point, South Wales: A case study for hydraulic fracture propagation through a layered medium

    NASA Astrophysics Data System (ADS)

    Forbes Inskip, Nathaniel; Meredith, Philip; Gudmundsson, Agust

    2016-04-01

    While considerable effort has been expended on the study of fracture propagation in rocks in recent years, our understanding of how fractures propagate through layered sedimentary rocks with different mechanical and elastic properties remains poorly constrained. Yet this is a key issue controlling the propagation of both natural and anthropogenic hydraulic fractures in layered sequences. Here we report measurements of the contrasting mechanical and elastic properties of the Lower Lias at Nash Point, South Wales, which comprises an interbedded sequence of shale and limestone layers, and how those properties may influence fracture propagation. Elastic properties of both materials have been characterised via ultrasonic wave velocity measurements as a function of azimuth on samples cored both normal and parallel to bedding. The shale is highly anisotropic, with P-wave velocities varying from 2231 to 3890 m s-1, giving an anisotropy of ~55%. By contrast, the limestone is essentially isotropic, with a mean P-wave velocity of 5828 m s-1 and an anisotropy of ~2%. The dynamic Young's modulus of the shale, calculated from P- and S-wave velocity data, is also anisotropic with a value of 36 GPa parallel to bedding and 12 GPa normal to bedding. The modulus of the limestone is again isotropic with a value of 80 GPa. It follows that for a vertical fracture propagating (i.e. normal to bedding) the modulus contrast is 6.6. This is important because the contrast in elastic properties is a key factor in controlling whether fractures arrest, deflect, or propagate across interfaces between layers in a sequence. There are three principal mechanisms by which a fracture may deflect across or along an interface, namely: Cook-Gordon debonding, stress barrier, and elastic mismatch. Preliminary numerical modelling results (using a Finite Element Modelling software) of induced fractures at Nash Point suggest that all three are important. The results demonstrate a rotation of the maximum

  3. Polymerizable ionic liquid with state of the art transport properties.

    PubMed

    Jeremias, Sebastian; Kunze, Miriam; Passerini, Stefano; Schönhoff, Monika

    2013-09-12

    The physicochemical properties of diallyldimethylammonium-bis(trifluoromethanesulfonyl)imide (DADMATFSI) and its binary mixture with LiTFSI are presented herein, also showing this novel compound as a polymerizable room temperature ionic liquid with excellent transport properties for Li(+) ions. In particular, results of pulsed field gradient (PFG)-NMR diffusion experiments and impedance measurements show that DADMATFSI exhibits state of the art properties of ionic liquids. Similar ionic diffusion coefficients and a similarly high conductivity as seen in the benchmark compound N-butyl-N-methylpyrrolidinium-bis(trifluoromethanesulfonyl)imide (PYR14TFSI) are observed. In accordance, the Li transference number in the binary mixture matches the trend seen for PYR14TFSI-LiTFSI mixtures. In addition to these impressive properties as ionic liquid, DADMATFSI was polymerized by UV treatment. The polymerization is demonstrated and the ion conducting properties of the resulting gel polymer electrolyte are investigated, showing that DADMATFSI can be transformed into an ionogel and may have applications where polymerization is desirable.

  4. Anisotropic optical film embedded with cellulose nanowhisker.

    PubMed

    Kim, Dah Hee; Song, Young Seok

    2015-10-01

    We investigated anisotropic optical behaviors of composite films embedded with CNWs. To control the orientation of CNWs, elongation was applied to the composite film. Morphological and mechanical analyses of the specimens were carried out to examine the influence of the applied extension. The CNWs were found to be aligned in the elongated direction, yielding remarkable anisotropic microstructure and optical properties. As the applied elongation and CNW loading increased, the resulting degree of polarization and birefringence increased due to increased interactions between the embedded particles. This study suggests a way to prepare an anisotropic optical component with nanoparticles of which the microstructures, such as orientation and filler content, can be controlled. PMID:26076646

  5. Time-dependent spin and transport properties of a single-molecule magnet in a tunnel junction

    NASA Astrophysics Data System (ADS)

    Hammar, H.; Fransson, J.

    2016-08-01

    In single-molecule magnets, the exchange between a localized spin moment and the electronic background provides a suitable laboratory for studies of dynamical aspects of both local spin and transport properties. Here we address the time evolution of a localized spin moment coupled to an electronic level in a molecular quantum dot embedded in a tunnel junction between metallic leads. The interactions between the localized spin moment and the electronic level generate an effective interaction between the spin moment at different instances in time. Therefore, we show that, despite being a single-spin system, there are effective contributions of isotropic Heisenberg and anisotropic Ising and Dzyaloshinski-Moriya character acting on the spin moment. The interactions can be controlled by gate voltage, voltage bias, the spin polarization in the leads, in addition to external magnetic fields. Signatures of the spin dynamics are found in the transport properties of the tunneling system, and we demonstrate that measurements of the spin current may be used for readout of the local spin moment orientation.

  6. Electrical tuning of transport properties of topological insulator ultrathin films.

    PubMed

    Li, H; Shao, J M; Zhang, H B; Yang, G W

    2014-03-21

    Considering that topological insulator (TI) ultrathin films (UTFs) provide an ideal platform for the transport measurement of topologically protected surface states, we have investigated the transport properties of the three-dimensional (3D) TI UTFs through an array of potential barriers. The 3D TI UTF was considered to be thin enough (5 nm) that the top and bottom surface states of the UTF can hybridize to create an energy gap at the Dirac point, which results in a hyperbola-like energy dispersion. It was found that the Klein tunneling effect disappears due to the interaction between the top and bottom surface states. By tuning the barrier strength or the incident energy, three kinds of transport processes can be realized, and the conditions of the transport processes were determined. The oscillatory characters of the transmission (conductance) spectra without a decaying envelope are due to the novel surface states of TIs, which are quite different from that observed for a conventional two-dimensional electron gas. For the structure consisting of two anti-parallel potential barriers, the conductance spectra exhibit a perfect on/off switching effect by tuning the barrier strength, which is favorable for electrically controllable device applications. In the case of a superlattice (SL) structure, due to the mini-gaps induced by the SL geometry, some additional resonant peaks and valleys can be observed in the transmission spectra, and similar characters are also reflected in the conductance spectra. Owing to the Dirac characters of the charge carriers therein, the transmission (conductance) spectra never decay with increasing barrier strength, which is distinguished from that observed for semiconductor SLs. These findings were not only meaningful for understanding the basic physical processes in the transport of TIs, but also useful for developing nanoscaled TI-based devices.

  7. Directed evolution reveals hidden properties of VMAT, a neurotransmitter transporter.

    PubMed

    Gros, Yael; Schuldiner, Shimon

    2010-02-12

    The vesicular neurotransmitter transporter VMAT2 is responsible for the transport of monoamines into synaptic and storage vesicles. VMAT2 is the target of many psychoactive drugs and is essential for proper neurotransmission and survival. Here we describe a new expression system in Saccharomyces cerevisiae that takes advantage of the polyspecificity of VMAT2. Expression of rVMAT2 confers resistance to acriflavine and to the parkinsonian toxin 1-methyl-4-phenylpyridinium (MPP(+)) by their removal into the yeast vacuole. This expression system allowed identification of a new substrate, acriflavine, and isolation of mutants with modified affinity to tetrabenazine (TBZ), a non-competitive inhibitor of VMAT2 that is used in the treatment of various movement disorders including Tourette syndrome and Huntington chorea. Whereas one type of mutant obtained displayed decreased affinity to TBZ, a second type showed only a slight decrease in the affinity to TBZ, displayed a higher K(m) to the neurotransmitter serotonin, but conferred increased resistance to acriflavine and MPP(+). A protein where both types of mutations were combined (with only three amino acid replacements) lost most of the properties of the neurotransmitter transporter (TBZ-insensitive, no transport of neurotransmitter) but displayed enhanced resistance to the above toxicants. The work described here shows that in the case of rVMAT2, loss of traits acquired in evolution of function (such as serotonin transport and TBZ binding) bring about an improvement in older functions such as resistance to toxic compounds. A process that has taken millions of years of evolution can be reversed by three mutations. PMID:20007701

  8. Transport properties of diluted inverted micelles and microemulsions

    SciTech Connect

    Lalanne, J.R.; Pouligny, B.; Sein, E.

    1983-02-17

    Experimental results concerning 3 transport properties are discussed: viscosity, mass diffusion, and heat transfer in the ternary system sodium bis(2-ethylhexyl) sulfosuccinate (AOT)/water/CCl4. Thermal conductivity has been investigated by a thermal lens technique using a single laser pulse in the microsecond range. The results are discussed and compared by using a model based upon the kinetic theory of fluids. The study shows how such investigations can lead to an original determination of the intermicellar potential in microemulsions. 99 references.

  9. The Effect of Microstructure On Transport Properties of Porous Electrodes

    NASA Astrophysics Data System (ADS)

    Peterson, Serena W.

    The goal of this work is to further understand the relationships between porous electrode microstructure and mass transport properties. This understanding allows us to predict and improve cell performance from fundamental principles. The investigated battery systems are the widely used rechargeable Li-ion battery and the non-rechargeable alkaline battery. This work includes three main contributions in the battery field listed below. Direct Measurement of Effective Electronic Transport in Porous Li-ion Electrodes. An accurate assessment of the electronic conductivity of electrodes is necessary for understanding and optimizing battery performance. The bulk electronic conductivity of porous LiCoO2-based cathodes was measured as a function of porosity, pressure, carbon fraction, and the presence of an electrolyte. The measurements were performed by delamination of thin-film electrodes from their aluminum current collectors and by use of a four-line probe. Imaging and Correlating Microstructure To Conductivity. Transport properties of porous electrodes are strongly related to microstructure. An experimental 3D microstructure is needed not only for computation of direct transport properties, but also for a detailed electrode microstructure characterization. This work utilized X-ray tomography and focused ion beam (FIB)/scanning electron microscopy (SEM) to obtain the 3D structures of alkaline battery cathodes. FIB/SEM has the advantage of detecting carbon additives; thus, it was the main tomography tool employed. Additionally, protocols and techniques for acquiring, processing and segmenting series of FIB/SEM images were developed as part of this work. FIB/SEM images were also used to correlate electrodes' microstructure to their respective conductivities for both Li-ion and alkaline batteries. Electrode Microstructure Metrics and the 3D Stochastic Grid Model. A detailed characterization of microstructure was conducted in this work, including characterization of the

  10. Effective Potential Energies and Transport Properties for Nitrogen and Oxygen

    NASA Technical Reports Server (NTRS)

    Stallcop, James R.; Partridge, Harry; Levin, Eugene; Kwak, Dochan (Technical Monitor)

    2001-01-01

    The results of recent theoretical studies for N--N2, O--O2, N2--N2 interactions are applied to the transport properties of nitrogen and oxygen gases. The theoretical results are used to select suitable oxygen interaction energies from previous work for determining the diffusion and viscosity coefficients at high temperatures. A universal formulation is applied to determine the collision integrals for O2--O2 interactions at high temperatures and to calculate certain ratios for determining higher-order collision integrals.

  11. Anisotropic Model Colloids

    NASA Astrophysics Data System (ADS)

    van Kats, C. M.

    2008-10-01

    The driving forces for fundamental research in colloid science are the ability to manage the material properties of colloids and to unravel the forces that play a role between colloids to be able to control and understand the processes where colloids play an important role. Therefore we are searching for colloidal materials with specific physical properties to better understand our surrounding world.Until recently research in colloid science was mainly focused on spherical (isotropic) particles. Monodisperse spherical colloids serve as a model system as they exhibit similar phase behaviour as molecular and atomic systems. Nevertheless, in many cases the spherical shape is not sufficient to reach the desired research goals. Recently the more complex synthesis methods of anisotropic model colloids has strongly developed. This thesis should be regarded as a contribution to this research area. Anisotropic colloids can be used as a building block for complex structures and are expected not only to lead to the construction of full photonic band gap materials. They will also serve as new, more realistic, models systems for their molecular analogues. Therefore the term ‘molecular colloids” is sometimes used to qualify these anisotropic colloidal particles. In the introduction of this thesis, we give an overview of the main synthesis techniques for anisotropic colloids. Chapter 2 describes the method of etching silicon wafers to construct monodisperse silicon rods. They subsequently were oxidized and labeled (coated) with a fluorescent silica layer. The first explorative phase behaviour of these silica rods was studied. The particles showed a nematic ordering in charge stabilized suspensions. Chapter 3 describes the synthesis of colloidal gold rods and the (mesoporous) silica coating of gold rods. Chapter 4 describes the physical and optical properties of these particles when thermal energy is added. This is compared to the case where the particles are irradiated with

  12. Anisotropic Ripple Deformation in Phosphorene.

    PubMed

    Kou, Liangzhi; Ma, Yandong; Smith, Sean C; Chen, Changfeng

    2015-05-01

    Two-dimensional materials tend to become crumpled according to the Mermin-Wagner theorem, and the resulting ripple deformation may significantly influence electronic properties as observed in graphene and MoS2. Here, we unveil by first-principles calculations a new, highly anisotropic ripple pattern in phosphorene, a monolayer black phosphorus, where compression-induced ripple deformation occurs only along the zigzag direction in the strain range up to 10%, but not the armchair direction. This direction-selective ripple deformation mode in phosphorene stems from its puckered structure with coupled hinge-like bonding configurations and the resulting anisotropic Poisson ratio. We also construct an analytical model using classical elasticity theory for ripple deformation in phosphorene under arbitrary strain. The present results offer new insights into the mechanisms governing the structural and electronic properties of phosphorene crucial to its device applications.

  13. Stacking dependence of carrier transport properties in multilayered black phosphorous.

    PubMed

    Sengupta, A; Audiffred, M; Heine, T; Niehaus, T A

    2016-02-24

    We present the effect of different stacking orders on carrier transport properties of multi-layer black phosphorous. We consider three different stacking orders AAA, ABA and ACA, with increasing number of layers (from 2 to 6 layers). We employ a hierarchical approach in density functional theory (DFT), with structural simulations performed with generalized gradient approximation (GGA) and the bandstructure, carrier effective masses and optical properties evaluated with the meta-generalized gradient approximation (MGGA). The carrier transmission in the various black phosphorous sheets was carried out with the non-equilibrium green's function (NEGF) approach. The results show that ACA stacking has the highest electron and hole transmission probabilities. The results show tunability for a wide range of band-gaps, carrier effective masses and transmission with a great promise for lattice engineering (stacking order and layers) in black phosphorous. PMID:26809017

  14. Generalized thermodynamic and transport properties. II. Molecular liquids.

    PubMed

    Bertolini, D; Tani, A

    2011-03-01

    In the present paper, we extend the method described in paper I [D. Bertolini and A. Tani, preceding paper, Phys. Rev. E 83, 031201 (2011)] to molecular liquids, which allows us to solve the exact kinetic equation proposed by de Schepper et al. [Phys. Rev. A 38, 271 (1988)] without approximations. In particular, generalized thermodynamic properties (enthalpy, specific heat, and thermal expansion coefficient) and transport properties (longitudinal viscosity, thermal conductivity) have been calculated for three liquids of increasing complexity, namely dimethyl sulfoxide, hydrogen fluoride, and SPC/E water. All results have been obtained by the molecular formalism as well as the atomic one, corrected for intramolecular correlations that are due to the models adopted. As done for simple liquids, the coupling between the viscous stress tensor and the energy flux vector has been calculated exactly. We also show that the Markov assumption for the dynamics related to thermal conductivity can only be adopted with caution.

  15. Diameter Dependence of the Transport Properties of Antimony Telluride Nanowires

    NASA Astrophysics Data System (ADS)

    Zuev, Yuri; Lee, Jin Sook; Park, Hongkun; Kim, Philip

    2010-03-01

    We report measurements of electronic, thermoelectric, and galvanometric properties of individual semimetallic single crystal antimony telluride (Sb2Te3) nanowires. Microfabricated heater and thermometer electrodes were used to probe the transport properties of the nanowires with diameters in the range of 22 - 95nm and temperatures in the range of 2 - 300K. Temperature dependent resistivity varies depending on nanowire diameter. Thermoelectric power (TEP) measurements indicate hole dominant diffusive thermoelectric generation, with an enhancement of the TEP for smaller diameter wires. The large surface-to-volume ratio of Sb2Te3 nanowires makes them an excellent platform to explore novel phenomena in this predicted topological insulator. We investigate mesoscopic magnetoresistance effects in magnetic fields both parallel and perpendicular to the nanowire axis.

  16. Predicting the transport properties of sedimentary rocks from microgeometry

    SciTech Connect

    Schlueter, E.M.

    1993-01-01

    We investigate through analysis and experiment how pore geometry, topology, and the physics and chemistry of mineral-fluid and fluid-fluid interactions affect the flow of fluids through consolidated/partially consolidated porous media. Our approach is to measure fluid permeability and electrical conductivity of rock samples using single and multiple fluid phases that can be frozen in place (wetting and nonwetting) over a range of pore pressures. These experiments are analyzed in terms of the microphysics and microchemistry of the processes involved to provide a theoretical basis for the macroscopic constitutive relationships between fluid-flow and geophysical properties that we develop. The purpose of these experiments and their analyses is to advance the understanding of the mechanisms and factors that control fluid transport in porous media. This understanding is important in characterizing porous media properties and heterogeneities before simulating and monitoring the progress of complex flow processes at the field scale in permeable media.

  17. Predicting the transport properties of sedimentary rocks from microgeometry

    SciTech Connect

    Schlueter, E.M.

    1995-02-01

    The author investigates through analysis and experiment how pore geometry, topology, and the physics and chemistry of mineral-fluid and fluid-fluid interactions affect the flow of fluids through consolidated/partially consolidated porous media. The approach is to measure fluid permeability and electrical conductivity of rock samples using single and multiple fluid phases that can be frozen in place (wetting and nonwetting) over a range of pore pressures. These experiments are analyzed in terms of the microphysics and microchemistry of the processes involved to provide a theoretical basis for the macroscopic constitutive relationships between fluid-flow and geophysical properties that the authors develop. The purpose of these experiments and their analyses is to advance the understanding of the mechanisms and factors that control fluid transport in porous media. This understanding is important in characterizing porous media properties and heterogeneities before simulating and monitoring the progress of complex flow processes at the field scale in permeable media.

  18. Simplified curve fits for the transport properties of equilibrium air

    NASA Technical Reports Server (NTRS)

    Srinivasan, S.; Tannehill, J. C.

    1987-01-01

    New, improved curve fits for the transport properties of equilibruim air have been developed. The curve fits are for viscosity and Prandtl number as functions of temperature and density, and viscosity and thermal conductivity as functions of internal energy and density. The curve fits were constructed using grabau-type transition functions to model the tranport properties of Peng and Pindroh. The resulting curve fits are sufficiently accurate and self-contained so that they can be readily incorporated into new or existing computational fluid dynamics codes. The range of validity of the new curve fits are temperatures up to 15,000 K densities from 10 to the -5 to 10 amagats (rho/rho sub o).

  19. Stacking dependence of carrier transport properties in multilayered black phosphorous

    NASA Astrophysics Data System (ADS)

    Sengupta, A.; Audiffred, M.; Heine, T.; Niehaus, T. A.

    2016-02-01

    We present the effect of different stacking orders on carrier transport properties of multi-layer black phosphorous. We consider three different stacking orders AAA, ABA and ACA, with increasing number of layers (from 2 to 6 layers). We employ a hierarchical approach in density functional theory (DFT), with structural simulations performed with generalized gradient approximation (GGA) and the bandstructure, carrier effective masses and optical properties evaluated with the meta-generalized gradient approximation (MGGA). The carrier transmission in the various black phosphorous sheets was carried out with the non-equilibrium green’s function (NEGF) approach. The results show that ACA stacking has the highest electron and hole transmission probabilities. The results show tunability for a wide range of band-gaps, carrier effective masses and transmission with a great promise for lattice engineering (stacking order and layers) in black phosphorous.

  20. Control of photon transport properties in nanocomposite nanowires

    NASA Astrophysics Data System (ADS)

    Moffa, M.; Fasano, V.; Camposeo, A.; Persano, L.; Pisignano, D.

    2016-02-01

    Active nanowires and nanofibers can be realized by the electric-field induced stretching of polymer solutions with sufficient molecular entanglements. The resulting nanomaterials are attracting an increasing attention in view of their application in a wide variety of fields, including optoelectronics, photonics, energy harvesting, nanoelectronics, and microelectromechanical systems. Realizing nanocomposite nanofibers is especially interesting in this respect. In particular, methods suitable for embedding inorganic nanocrystals in electrified jets and then in active fiber systems allow for controlling light-scattering and refractive index properties in the realized fibrous materials. We here report on the design, realization, and morphological and spectroscopic characterization of new species of active, composite nanowires and nanofibers for nanophotonics. We focus on the properties of light-confinement and photon transport along the nanowire longitudinal axis, and on how these depend on nanoparticle incorporation. Optical losses mechanisms and their influence on device design and performances are also presented and discussed.

  1. Stacking dependence of carrier transport properties in multilayered black phosphorous.

    PubMed

    Sengupta, A; Audiffred, M; Heine, T; Niehaus, T A

    2016-02-24

    We present the effect of different stacking orders on carrier transport properties of multi-layer black phosphorous. We consider three different stacking orders AAA, ABA and ACA, with increasing number of layers (from 2 to 6 layers). We employ a hierarchical approach in density functional theory (DFT), with structural simulations performed with generalized gradient approximation (GGA) and the bandstructure, carrier effective masses and optical properties evaluated with the meta-generalized gradient approximation (MGGA). The carrier transmission in the various black phosphorous sheets was carried out with the non-equilibrium green's function (NEGF) approach. The results show that ACA stacking has the highest electron and hole transmission probabilities. The results show tunability for a wide range of band-gaps, carrier effective masses and transmission with a great promise for lattice engineering (stacking order and layers) in black phosphorous.

  2. Anisotropic Transport of Electrons in a Novel FET Channel with Chains of InGaAs Nano-Islands Embedded along Quasi-Periodic Multi-Atomic Steps on Vicinal (111)B GaAs

    SciTech Connect

    Akiyama, Y.; Kawazu, T.; Noda, T.; Sakaki, H.

    2010-01-04

    We have studied electron transport in n-AlGaAs/GaAs heterojunction FET channels, in which chains of InGaAs nano-islands are embedded along quasi-periodic steps. By using two samples, conductance G{sub para}(V{sub g}) parallel to the steps and G{sub perp}(V{sub g}) perpendicular to them were measured at 80 K as functions of gate voltage V{sub g}. At sufficiently high V{sub g}, G{sub para} at 80 K is several times as high as G{sub perp}, which manifests the anisotropic two-dimensional transport of electrons. When V{sub g} is reduced to -0.7 V, G{sub perp} almost vanishes, while {sub Gpara} stays sizable unless V{sub g} is set below -0.8 V. These results indicate that 'inter-chain' barriers play stronger roles than 'intra-chain' barriers.

  3. Optical and electrical transport properties of semicontinuous metallic films

    NASA Astrophysics Data System (ADS)

    Seal, Katyayani

    Semicontinuous metallic films posses unique optical and electrical transport properties. The strong localization and large enhancement of electric fields demonstrated by these films make them interesting in terms of a fundamental understanding of these phenomena as well as potentially useful in a large variety of applications. The field distributions and electrical transport properties of these films depend on the structural geometry and morphology of the samples and therefore also on the metal concentration, with distinctive properties near the percolation threshold where an insulator-to-metal transition occurs. This dissertation focuses on an experimental investigation of the optical, electrical transport and structural properties of semicontinuous silver-glass composites near the percolation threshold. Particular emphasis is placed on the optical enhancement observed in these films in terms of their near-field optical intensity distribution. The samples were synthesized by pulsed laser ablation and the percolation threshold was identified in terms of structural properties using transmission electron microscopy as well as electrical resistivity and optical transmission through in-situ measurements during sample synthesis. The optical intensity distributions were measured using near-field optical microscopy (NSOM) and found to depend strongly on metal concentration and wavelength. The degree of localization was found to increase as metal concentrations was varied above and below the percolation threshold and also found to increase with increase in wavelength. Comparisons of the experimental results with theoretical calculations of the local field distributions obtained using the block elimination method showed good agreement. In addition, composite systems involving the coupling of enhancement from semicontinuous films with two other resonance phenomena are also studied viz. semicontinuous films (1) with random subwavelength apertures and (2) deposited on

  4. FLUID- THERMODYNAMIC AND TRANSPORT PROPERTIES OF FLUIDS (IBM PC VERSION)

    NASA Technical Reports Server (NTRS)

    Fessler, T. E.

    1994-01-01

    The accurate computation of the thermodynamic and transport properties of fluids is a necessity for many engineering calculations. The FLUID program was developed to calculate the thermodynamic and transport properties of pure fluids in both the liquid and gas phases. Fluid properties are calculated using a simple gas model, empirical corrections, and an efficient numerical interpolation scheme. FLUID produces results that are in very good agreement with measured values, while being much faster than older more complex programs developed for the same purpose. A Van der Waals equation of state model is used to obtain approximate state values. These values are corrected for real-gas effects by model correction factors obtained from tables based on experimental data. These tables also accurately compensate for the special circumstances which arise whenever phase conditions occur. Viscosity and thermal conductivity values are computed directly from tables. Interpolation within tables is based on Lagrange's three point formula. A set of tables must be generated for each fluid implemented. FLUID currently contains tables for nine fluids including dry air and steam. The user can add tables for any fluid for which adequate thermal property data is available. The FLUID routine is structured so that it may easily be incorporated into engineering programs. The IBM 360 version of FLUID was developed in 1977. It is written in FORTRAN IV and has been implemented on an IBM 360 with a central memory requirement of approximately 222K of 8 bit bytes. The IBM PC version of FLUID is written in Microsoft FORTRAN 77 and has been implemented on an IBM PC with a memory requirement of 128K of 8 bit bytes. The IBM PC version of FLUID was developed in 1986.

  5. FLUID- THERMODYNAMIC AND TRANSPORT PROPERTIES OF FLUIDS (IBM VERSION)

    NASA Technical Reports Server (NTRS)

    Fessler, T. E.

    1994-01-01

    The accurate computation of the thermodynamic and transport properties of fluids is a necessity for many engineering calculations. The FLUID program was developed to calculate the thermodynamic and transport properties of pure fluids in both the liquid and gas phases. Fluid properties are calculated using a simple gas model, empirical corrections, and an efficient numerical interpolation scheme. FLUID produces results that are in very good agreement with measured values, while being much faster than older more complex programs developed for the same purpose. A Van der Waals equation of state model is used to obtain approximate state values. These values are corrected for real-gas effects by model correction factors obtained from tables based on experimental data. These tables also accurately compensate for the special circumstances which arise whenever phase conditions occur. Viscosity and thermal conductivity values are computed directly from tables. Interpolation within tables is based on Lagrange's three point formula. A set of tables must be generated for each fluid implemented. FLUID currently contains tables for nine fluids including dry air and steam. The user can add tables for any fluid for which adequate thermal property data is available. The FLUID routine is structured so that it may easily be incorporated into engineering programs. The IBM 360 version of FLUID was developed in 1977. It is written in FORTRAN IV and has been implemented on an IBM 360 with a central memory requirement of approximately 222K of 8 bit bytes. The IBM PC version of FLUID is written in Microsoft FORTRAN 77 and has been implemented on an IBM PC with a memory requirement of 128K of 8 bit bytes. The IBM PC version of FLUID was developed in 1986.

  6. Overview of anisotropic flow measurements from ALICE

    NASA Astrophysics Data System (ADS)

    Zhou, You

    2016-05-01

    Anisotropic flow is an important observable to study the properties of the hot and dense matter, the Quark Gluon Plasma (QGP), created in heavy-ion collisions. Measurements of anisotropic flow for inclusive and identified charged hadrons are reported in Pb-Pb, p-Pb and pp collisions with the ALICE detector. The comparison of experimental measurements to various theoretical calculations are also presented in these proceedings.

  7. Nonlinear Transport and Noise Properties of Acoustic Phonons

    NASA Astrophysics Data System (ADS)

    Walczak, Kamil

    We examine heat transport carried by acoustic phonons in molecular junctions composed of organic molecules coupled to two thermal baths of different temperatures. The phononic heat flux and its dynamical noise properties are analyzed within the scattering (Landauer) formalism with transmission probability function for acoustic phonons calculated within the method of atomistic Green's functions (AGF technique). The perturbative computational scheme is used to determine nonlinear corrections to phononic heat flux and its noise power spectral density with up to the second order terms with respect to temperature difference. Our results show the limited applicability of ballistic Fourier's law and fluctuation-dissipation theorem to heat transport in quantum systems. We also derive several noise-signal relations applicable to nanoscale heat flow carried by phonons, but valid for electrons as well. We also discuss the extension of the perturbative transport theory to higher order terms in order to address a huge variety of problems related to nonlinear thermal effects which may occur at nanoscale and at strongly non-equilibrium conditions with high-intensity heat fluxes. This work was supported by Pace University Start-up Grant.

  8. Procedures for construction of anisotropic elastic plastic property closures for face-centered cubic polycrystals using first-order bounding relations

    NASA Astrophysics Data System (ADS)

    Proust, Gwénaëlle; Kalidindi, Surya R.

    2006-08-01

    Microstructure-sensitive design (MSD) is a novel mathematical framework that facilitates a rigorous consideration of the material microstructure as a continuous design variable in the engineering design enterprise [Adams, B.L., Henrie, A., Henrie, B., Lyon, M., Kalidindi, S.R., Garmestani, H., 2001. Microstructure-sensitive design of a compliant beam. J. Mech. Phys. Solids 49(8), 1639-1663; Adams, B.L., Lyon, M., Henrie, B., 2004. Microstructures by design: linear problems in elastic-plastic design. Int. J. Plasticity 20(8-9), 1577-1602; Kalidindi, S.R., Houskamp, J.R., Lyons, M., Adams, B.L., 2004. Microstructure sensitive design of an orthotropic plate subjected to tensile load. Int. J. Plasticity 20(8-9), 1561-1575]. MSD employs spectral representations of the local state distribution functions in describing the microstructure quantitatively, and these in turn enable development of invertible linkages between microstructure and effective properties using established homogenization (composite) theories. As a natural extension of the recent publications in MSD, we provide in this paper a detailed account of the methods that can be readily used by mechanical designers to construct first-order elastic-plastic property closures. The main focus in this paper is on the crystallographic texture (also called Orientation Distribution Function or ODF) as the main microstructural parameter controlling the elastic and yield properties of cubic (fcc and bcc) polycrystalline metals. The following specific advances are described in this paper: (i) derivation of rigorous first-order bounds for the off-diagonal terms of the effective elastic stiffness tensor and their incorporation in the MSD framework, (ii) delineation of the union of the property closures corresponding to both the upper and lower bound theories resulting in comprehensive first-order closures, (iii) development of generalized and readily usable expressions for effective anisotropic elastic-plastic properties

  9. Transport properties of highly ordered heterogeneous ion-exchange membranes.

    PubMed

    Shapiro, V; Freger, V; Linder, C; Oren, Y

    2008-08-01

    Model "ordered" heterogeneous ion exchange membranes are made with ion exchange particles heaving ion exchange capacity in the range 3 to 2.5 meq/gr (dry basis) and diameters ranging from 37 to 7 microm and 2 component room-temperature vulcanizing silicon rubber as a polymeric matrix, by applying an electric field normal to the membrane surface during preparation. These membranes were shown to have an improved ionic conductivity compared with "nonordered" membranes based on the same ion exchange content (for instance, at 10% resin content "nonordered" membranes show <10(-5) mS/cm while "ordered" membranes have conductivity of 1 mS/cm). The transport properties of ordered membranes were compared with those of nonordered membranes, through the current-voltage characteristics. Limiting currents measured for the ordered membranes were significantly higher than those of the nonordered membranes with the same resin concentration. In addition, higher limiting currents were observed in ordered membranes as the resin particles became smaller. Energy dispersion spectrometry analyses revealed that the concentration of cation exchange groups on the membrane surface was higher for ordered membrane as compared to that of nonordered membranes. This implies that the local current density for the conducting domains at the surface of the nonordered membranes is higher, leading to higher concentration polarization and, eventually, to lower average limiting current densities. The effect of ordering the particles on the membrane conductivity and transport properties was studied, and the advantages of the ordered membranes are discussed.

  10. Topological phases and transport properties of screened interacting quantum wires

    NASA Astrophysics Data System (ADS)

    Xu, Hengyi; Xiong, Ye; Wang, Jun

    2016-10-01

    We study theoretically the effects of long-range and on-site Coulomb interactions on the topological phases and transport properties of spin-orbit-coupled quasi-one-dimensional quantum wires imposed on a s-wave superconductor. The distributions of the electrostatic potential and charge density are calculated self-consistently within the Hartree approximation. Due to the finite width of the wires and charge repulsion, the potential and density distribute inhomogeneously in the transverse direction and tend to accumulate along the lateral edges where the hard-wall confinement is assumed. This result has profound effects on the topological phases and the differential conductance of the interacting quantum wires and their hybrid junctions with superconductors. Coulomb interactions renormalize the gate voltage and alter the topological phases strongly by enhancing the topological regimes and producing jagged boundaries. Moreover, the multicritical points connecting different topological phases are modified remarkably in striking contrast to the predictions of the two-band model. We further suggest the possible non-magnetic topological phase transitions manipulated externally with the aid of long-range interactions. Finally, the transport properties of normal-superconductor junctions are further examined, in particular, the impacts of Coulomb interactions on the zero-bias peaks related to the Majorana fermions and near zero-energy peaks.

  11. Transport and divertor properties of the dynamic ergodic divertor

    NASA Astrophysics Data System (ADS)

    Lehnen, M.; Abdullaev, S.; Biel, W.; de Bock, M. F. M.; Brezinsek, S.; Busch, C.; Classen, I.; Finken, K. H.; von Hellermann, M.; Jachmich, S.; Jakubowski, M.; Jaspers, R.; Koslowski, H. R.; Krämer-Flecken, A.; Kikuchi, Y.; Liang, Y.; Nicolai, A.; Pospieszczyk, A.; Van Rompuy, T.; Samm, U.; Schmitz, O.; Sergienko, G.; Unterberg, B.; Wolf, R.; Zimmermann, O.; TEXTOR Team

    2005-12-01

    The concept of the dynamic ergodic divertor (DED) is based on plasma edge ergodization by a resonant perturbation. Such a divertor concept is closely related to helical or island divertors in stellerators. The base mode of the DED perturbation field can be m/n = 12/4, 6/2 or 3/1. The 3/1 base mode with its deep penetration of the perturbation field provides the excitation of tearing modes. This topic was presented elsewhere. In this contribution we concentrate on the divertor properties of the DED. We report on the characterization of the topology, transport properties in ergodic fields, impurity transport and density limit behaviour. The 12/4 base where the perturbation is restricted to the plasma edge is suitable for divertor operation. With increasing perturbation field island chains are built up at the resonance layers. Overlapping islands lead to ergodization. The plasma is guided in the laminar region via open field lines of short connection length to the divertor target. The magnetic topology is not only controlled by the coil current but especially by the edge safety factor. For appropriate edge safety factor we observe a strong temperature drop in the plasma edge, indicating an expansion of the laminar region, which is necessary to decouple the divertor plasma from the core plasma. The modifications of the magnetic topology can be directly seen, for example, from carbon emission lines. The magnetic structure is calculated by the ATLAS code and shows good agreement with the experimental findings.

  12. TASK 7 DEMONSTRATION OF THAMES FOR MICROSTRUCTURE AND TRANSPORT PROPERTIES

    SciTech Connect

    Langton, C.; Bullard, J.; Stutzman, P.; Snyder, K.; Garboczi, E.

    2010-03-29

    The goal of the Cementitious Barriers Partnership (CBP) is to develop a reasonable and realible set of tools to reduce the uncertainty in predicting the structural, hydraulic and chemical performance of cement barriers used in nuclear applications that are exposed to dynamic environmental conditions over extended time frames. One of these tools, the responsibility of NIST, is THAMES (Thermodynamic Hydration and Microstructure Evolution Simulator), which is being developed to describe cementitious binder microstructures and calculate important engineering properties during hydration and degradation. THAMES is designed to be a 'micro-probe', used to evaluate changes in microstructure and properties occurring over time because of hydration or degradation reactions in a volume of about 0.001 mm{sup 3}. It will be used to map out microstructural and property changes across reaction fronts, for example, with spatial resolution adequate to be input into other models (e.g., STADIUM{reg_sign}, LeachSX{trademark}) in the integrated CBP package. THAMES leverages thermodynamic predictions of equilibrium phase assemblages in aqueous geochemical systems to estimate 3-D virtual microstructures of a cementitious binder at different times during the hydration process or potentially during degradation phenomena. These virtual microstructures can then be used to calculate important engineering properties of a concrete made from that binder at prescribed times. In this way, the THAMES model provides a way to calculate the time evolution of important material properties such as elastic stiffness, compressive strength, diffusivity, and permeability. Without this model, there would be no way to update microstructure and properties for the barrier materials considered as they are exposed to the environment, thus greatly increasing the uncertainty of long-term transport predictions. This Task 7 report demonstrates the current capabilities of THAMES. At the start of the CBP project, THAMES

  13. Ab initio study of anisotropic mechanical properties of LiCoO{sub 2} during lithium intercalation and deintercalation process

    SciTech Connect

    Wu, Linmin; Zhang, Jing

    2015-12-14

    The mechanical properties of Li{sub x}CoO{sub 2} under various Li concentrations and associated anisotropy have been systematically studied using the first principles method. During the lithium intercalation process, the Young's modulus, bulk modulus, shear modulus, and ultimate strength increase with increasing lithium concentration. Strong anisotropy of mechanical properties between a-axis and c-axis in Li{sub x}CoO{sub 2} is identified at low lithium concentrations, and the anisotropy decreases with increasing lithium concentration. The observed lithium concentration dependence and anisotropy are explained by analyzing the charge transfer using Bader charge analysis, bond order analysis, and bond strength by investigating partial density of states and charge density difference. With the decrease of Li concentration, the charge depletion in the bonding regions increases, indicating a weaker Co-O bond strength. Additionally, the Young's modulus, bulk modulus, shear modulus, and toughness are obtained by simulating ab initio tensile tests. From the simulated stress-strain curves, Li{sub x}CoO{sub 2} shows the highest toughness, which is in contraction with Pugh criterion prediction based on elastic properties only.

  14. Hydrophobic organic contaminant transport property heterogeneity in the Borden Aquifer

    NASA Astrophysics Data System (ADS)

    Allen-King, Richelle M.; Kalinovich, Indra; Dominic, David F.; Wang, Guohui; Polmanteer, Reid; Divine, Dana

    2015-03-01

    We determined that the spatial heterogeneity in aquifer properties governing the reactive transport of volatile organic contaminants is defined by the arrangement of lithofacies. We measured permeability (k) and perchloroethene sorption distribution coefficient (Kd) for lithofacies that we delineated for samples from the Canadian Forces Base Borden Aquifer. We compiled existing data and collected 57 new cores to characterize a 30 m section of the aquifer near the test location of Mackay et al. (1986). The k and Kd were measured for samples taken at six elevations from all cores to create a data set consisting of nearly 400 colocated measurements. Through analysis of variance (corrected for multiple comparisons), we determined that the 12 originally mapped lithofacies could be grouped into five relatively distinct chemohydrofacies that capture the variability of both transport properties. The mean of ln k by lithofacies was related to the grain size and the variance was relatively consistent. In contrast, both the mean and variance of ln Kd were greater for more poorly sorted lithofacies, which were also typically more coarse-grained. Half of the aquifer sorption capacity occurred in the three highest-sorbing lithofacies but comprised only 20% of its volume. The model of the aquifer that emerged is that of discontinuous scour-fill deposits of medium sand, generally characterized by greater Kd and k, within laterally extensive fine-grained to very fine-grained sands of lower Kd and k. Our findings demonstrate the importance of considering source rock composition, transport, and deposition processes when constructing conceptual models of chemohydrofacies.

  15. 41 CFR 302-7.10 - Is property acquired en route eligible for transportation at Government expense?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... Property Management Federal Travel Regulation System RELOCATION ALLOWANCES TRANSPORTATION AND STORAGE OF PROPERTY 7-TRANSPORTATION AND TEMPORARY STORAGE OF HOUSEHOLD GOODS AND PROFESSIONAL BOOKS, PAPERS,...

  16. Unique anisotropic optical properties of a highly stable metal-organic framework based on trinuclear iron(iii) secondary building units linked by tetracarboxylic linkers with an anthracene core.

    PubMed

    Vinogradov, A V; Milichko, V A; Zaake-Hertling, H; Aleksovska, A; Gruschinski, S; Schmorl, S; Kersting, B; Zolnhofer, E M; Sutter, J; Meyer, K; Lönnecke, P; Hey-Hawkins, E

    2016-05-01

    A highly stable metal-organic framework, [{Fe3(ACTBA)2}X·6DEF]n (1; X = monoanion), based on trinuclear iron(iii) secondary building units connected by tetracarboxylates with an anthracene core, 2,6,9,10-tetrakis(p-carboxylatophenyl)anthracene (ACTBA), is reported. Depending on the direction of light polarisation, crystals of 1 exhibit anisotropic optical properties with birefringence Δn = 0.3 (λ = 590 nm). PMID:26906040

  17. Epitaxial growth and electrical transport properties of Cr{sub 2}GeC thin films

    SciTech Connect

    Eklund, Per; Bugnet, Matthieu; Mauchamp, Vincent; Dubois, Sylvain; Tromas, Christophe; Jaouen, Michel; Cabioc'h, Thierry; Jensen, Jens; Piraux, Luc; Gence, Loiek

    2011-08-15

    Cr{sub 2}GeC thin films were grown by magnetron sputtering from elemental targets. Phase-pure Cr{sub 2}GeC was grown directly onto Al{sub 2}O{sub 3}(0001) at temperatures of 700-800 deg. C. These films have an epitaxial component with the well-known epitaxial relationship Cr{sub 2}GeC(0001)//Al{sub 2}O{sub 3}(0001) and Cr{sub 2}GeC(1120)//Al{sub 2}O{sub 3}(1100) or Cr{sub 2}GeC(1120)//Al{sub 2}O{sub 3}(1210). There is also a large secondary grain population with (1013) orientation. Deposition onto Al{sub 2}O{sub 3}(0001) with a TiN(111) seed layer and onto MgO(111) yielded growth of globally epitaxial Cr{sub 2}GeC(0001) with a virtually negligible (1013) contribution. In contrast to the films deposited at 700-800 deg. C, the ones grown at 500-600 deg. C are polycrystalline Cr{sub 2}GeC with (1010)-dominated orientation; they also exhibit surface segregations of Ge as a consequence of fast Ge diffusion rates along the basal planes. The room-temperature resistivity of our samples is 53-66 {mu}{Omega}cm. Temperature-dependent resistivity measurements from 15-295 K show that electron-phonon coupling is important and likely anisotropic, which emphasizes that the electrical transport properties cannot be understood in terms of ground state electronic structure calculations only.

  18. Consideration for the dynamic depolarization in the effective-medium model for description of optical properties for anisotropic nanostructured semiconductors

    SciTech Connect

    Golovan, L. A.; Zabotnov, S. V. Timoshenko, V. Yu.; Kashkarov, P. K.

    2009-02-15

    The effective-medium model has been generalized within the dipole approximation, with allowance for the shape anisotropy and dynamic depolarization of semiconductor nanoparticles. The calculations revealed nonmonotonic dependences for the birefringence and dichroism on the nanoparticle size. Comparison of the measured and calculated refractive index dispersion of birefringent porous silicon layers in the near-IR region indicates that consideration for the dynamic depolarization gives a better description of the optical properties for this material in comparison with the generally used effective-medium electrostatic approximation.

  19. Novel 18650 lithium-ion battery surrogate cell design with anisotropic thermophysical properties for studying failure events

    NASA Astrophysics Data System (ADS)

    Spinner, Neil S.; Hinnant, Katherine M.; Mazurick, Ryan; Brandon, Andrew; Rose-Pehrsson, Susan L.; Tuttle, Steven G.

    2016-04-01

    Cylindrical 18650-type surrogate cells were designed and fabricated to mimic the thermophysical properties and behavior of active lithium-ion batteries. An internal jelly roll geometry consisting of alternating stainless steel and mica layers was created, and numerous techniques were used to estimate thermophysical properties. Surrogate cell density was measured to be 1593 ± 30 kg/m3, and heat capacity was found to be 727 ± 18 J/kg-K. Axial thermal conductivity was determined to be 5.1 ± 0.6 W/m-K, which was over an order of magnitude higher than radial thermal conductivity due to jelly roll anisotropy. Radial heating experiments were combined with numerical and analytical solutions to the time-dependent, radial heat conduction equation, and from the numerical method an additional estimate for heat capacity of 805 ± 23 J/kg-K was found. Using both heat capacities and analysis techniques, values for radial thermal conductivity were between 0.120 and 0.197 W/m-K. Under normal operating conditions, relatively low radial temperature distributions were observed; however, during extreme battery failure with a hexagonal cell package, instantaneous radial temperature distributions as high as 43-71 °C were seen. For a vertical cell package, even during adjacent cell failure, similar homogeneity in internal temperatures were observed, demonstrating thermal anisotropy.

  20. Structural, electrical and anisotropic properties of Tl{sub 4}Se{sub 3}S chain crystals

    SciTech Connect

    Qasrawi, A.F.; Gasanly, N.M.

    2009-10-15

    The structure, the anisotropy effect on the current transport mechanism and the space charge limited current in Tl{sub 4}Se{sub 3}S chain crystals have been studied by means of X-ray diffraction, electrical conductivity measurements along and perpendicular to the crystal's c-axis and the current voltage characteristics. The temperature-dependent electrical conductivity analysis in the region of 150-400 K, revealed the domination of the thermionic emission of charge carriers over the chain boundaries above 210 and 270 K along and perpendicular to the c-axis, respectively. Below these temperatures, the variable range hopping is dominant. At a consistent temperature range, the thermionic emission analysis results in conductivity activation energies of 280 and 182 meV, along and perpendicular to the c-axis, respectively. Likewise, the hopping parameters are altered significantly by the conductivity anisotropy. The current-voltage characteristics revealed the existence of hole trapping state being located at 350 meV above the valence band of the crystal.

  1. Anisotropic thermal properties of the polar crystal Cs{sub 2}TeMo{sub 3}O{sub 12}

    SciTech Connect

    Zhang, Junjie; Zhang, Zhonghan; Sun, Youxuan; Zhang, Chengqian; Tao, Xutang

    2012-11-15

    A Cs{sub 2}TeMo{sub 3}O{sub 12} single crystal with dimensions of 17 mm Multiplication-Sign 17 mm Multiplication-Sign 18 mm was grown using the top-seeded solution growth method. Thermal properties, including thermal expansion, specific heat, thermal diffusivity and thermal conductivity, were investigated as a function of temperature. The average linear thermal expansion coefficients along different crystallographic directions were measured to be {alpha}{sub a}=7.34 Multiplication-Sign 10{sup -6} K{sup -1} and {alpha}{sub c}=32.02 Multiplication-Sign 10{sup -6} K{sup -1} over the temperature range of 30-430 Degree-Sign C. The specific heat was measured to be 0.400-0.506 J g{sup -1} K{sup -1} from 22 Degree-Sign C to 440 Degree-Sign C. The thermal conductivity was calculated to be 1.86 and 0.76 W m{sup -1} K{sup -1} at 22 Degree-Sign C along the a and c axes, respectively. With increasing temperature from 22 to 430 Degree-Sign C, the thermal conductivity decreases by 33.0% along the a axis, while it decreases by 18.5% below 200 Degree-Sign C and then remains unchanged along the c axis. The relationship between structure and the thermal properties is also discussed. - Graphical Abstract: Centimeter-sized crystals of polar Cs{sub 2}TeMo{sub 3}O{sub 12} were grown using the top-seeded solution growth method. The relative large anisotropy in thermal expansion and thermal conductivity of Cs{sub 2}TeMo{sub 3}O{sub 12} is attributable to its layered structure. Highlights: Black-Right-Pointing-Pointer Cs{sub 2}TeMo{sub 3}O{sub 12} single crystals with dimensions of 17 Multiplication-Sign 17 Multiplication-Sign 18 mm{sup 3} were grown. Black-Right-Pointing-Pointer Thermal properties of Cs{sub 2}TeMo{sub 3}O{sub 12} were studied as a function of temperature. Black-Right-Pointing-Pointer The thermal expansion anisotropy of Cs{sub 2}TeMo{sub 3}O{sub 12} is explained using its structure. Black-Right-Pointing-Pointer To protect Cs{sub 2}TeMo{sub 3}O{sub 12} crystal, a small

  2. Anisotropic elastic and vibrational properties of Ru2B3 and Os2B3: a first-principles investigation

    NASA Astrophysics Data System (ADS)

    Ozisik, Haci; Deligoz, Engin; Surucu, Gokhan; Bogaz Ozisik, Havva

    2016-07-01

    The structural, mechanical and lattice dynamical properties of Ru2B3 and Os2B3 have been investigated by using a first-principles method based on the density functional theory within the generalized gradient approximation. The single crystal elastic constants are numerically estimated using strain–stress approach. The polycrystalline aggregate elastic parameters are calculated from the single elastic constants via the Voigt–Reuss–Hill approximations. Subsequently, the ductility and brittleness are characterized with the estimation from Pugh’s rule (B/G) and Cauchy pressure. Additionally, the Debye temperature is calculated from the average elastic wave velocity obtained from bulk and shear moduli. The calculated parameters are consistent with the previous experimental and theoretical data. These borides are both mechanically and dynamically stable in the considered structure.

  3. Isothermal anisotropic magnetoresistance in antiferromagnetic metallic IrMn

    PubMed Central

    Galceran, R.; Fina, I.; Cisneros-Fernández, J.; Bozzo, B.; Frontera, C.; López-Mir, L.; Deniz, H.; Park, K.-W.; Park, B.-G.; Balcells, Ll.; Martí, X.; Jungwirth, T.; Martínez, B.

    2016-01-01

    Antiferromagnetic spintronics is an emerging field; antiferromagnets can improve the functionalities of ferromagnets with higher response times, and having the information shielded against external magnetic field. Moreover, a large list of aniferromagnetic semiconductors and metals with Néel temperatures above room temperature exists. In the present manuscript, we persevere in the quest for the limits of how large can anisotropic magnetoresistance be in antiferromagnetic materials with very large spin-orbit coupling. We selected IrMn as a prime example of first-class moment (Mn) and spin-orbit (Ir) combination. Isothermal magnetotransport measurements in an antiferromagnetic-metal(IrMn)/ferromagnetic-insulator thin film bilayer have been performed. The metal/insulator structure with magnetic coupling between both layers allows the measurement of the modulation of the transport properties exclusively in the antiferromagnetic layer. Anisotropic magnetoresistance as large as 0.15% has been found, which is much larger than that for a bare IrMn layer. Interestingly, it has been observed that anisotropic magnetoresistance is strongly influenced by the field cooling conditions, signaling the dependence of the found response on the formation of domains at the magnetic ordering temperature. PMID:27762278

  4. Structure, Transport Properties, and Magnetism of Artificially-Structured Materials

    NASA Astrophysics Data System (ADS)

    Xiao, John Q.

    Structural, magnetic, and magneto-transport properties of three different classes of artificially structured materials: (1) multilayers (Fe(110)/Ag(111) and Fe(110)/W(110)), (2) Fe-nitrides, and (3) metallic granular solids (Co/Ag, Co/Cu Fe/Ag and (Ni-Fe)/Ag), prepared by magnetron sputtering are presented. In the multilayers, the structure has been characterized using both low-angle and high-angle x-ray diffraction together with theoretical modeling. The magnetic properties of the Fe/Ag and Fe/W multilayers have been studied when the layer thickness of Fe and the intervening Ag or W layers are systematically varied. In the case of Fe/Ag multilayers, the interfaces are sharp. The Fe magnetic moment slightly increases with decreasing Fe layer thickness. The magnetization shows a B T^{3/2} dependence with very large values of B. In the Fe/W multilayers, there are small intermixed regions of one or two monolayers at the interfaces. The Fe moments within this region are deteriorated, whereas the rest of the Fe moments maintain their bulk values. With reactive sputtering using a mixture of argon and ammonia gases, all stable Fe-nitrides (gamma ^'-Fe_4N, varepsilon-Fe_{2 -3}N, and zeta-Fe _2N) of single phase can be fabricated. The phase diagram of Fe-nitride composition as a function of pressure of NH_3 has been determined. The magnetic properties and the Mossbauer parameters are in excellent agreement with those from the bulk samples. The magneto-transport properties in metallic granular solids, related metastable alloys and in samples with mixed phases, have been extensively studied. We have investigated the magneto-transport properties as a function of the annealing temperature, temperatures, and the magnetic concentration. For the first time, giant magnetoresistance (GMR) has been observed in non-layered but granular solids. We have shown that the GMR is isotropic and is the extra resistivity due to scattering from the non-aligned ferromagnetic entities. This extra

  5. 1D-transport properties of single superconducting lead nanowires

    NASA Astrophysics Data System (ADS)

    Michotte, S.; Mátéfi-Tempfli, S.; Piraux, L.

    2003-09-01

    We report on the transport properties of single superconducting lead nanowires grown by an electrodeposition technique, embedded in a nanoporous track-etched polymer membrane. The nanowires are granular, have uniform diameter of ∼40 nm and a very large aspect ratio (∼500). The diameter of the nanowire is small enough to ensure a 1D superconducting regime in a wide temperature range below Tc. The non-zero resistance in the superconducting state and its variation caused by fluctuations of the superconducting order parameter were measured versus temperature, magnetic field, and applied DC current (or voltage). The current induced breakdowns in the V- I characteristics may be explained by the formation of phase slip centers. Moreover, DC voltage driven measurements reveal the existence of a new S-shape behavior near the formation of these phase slip centers.

  6. Research on transport properties of HFC-227ea

    NASA Astrophysics Data System (ADS)

    Shi, Lin; Liu, Xiaojun; Duan, Yuanyuan; Han, Lizhong; Zhu, Mingshan

    2001-10-01

    HFC-227ea(1,1,1,2,3,3,3-heptafluoropropane) is considered as a promising refrigerant alternative, especially as a component in mixtures, to replace to CFC-12, HCFC-22 and R502. But reliable transport properties data for HFC-227ea are very limited. In this paper, experimental data of viscosity along the saturation line and gaseous thermal conductivity of HFC-227ea are given. The viscosity of HFC-227ea was measured with a capillary viscometer at temperatures between 263.15 K and 333.15 K along the saturation line and its uncertainty of the results is estimated to be no more than ±3%. The thermal conductivity of gaseous HFC-227ea was also measured with a transient hot-wire instrument at temperatures between 259.28 K and 341.75 K and pressures up to 1.289MPa, and its uncertainty of the results is estimated to be less than ±1%.

  7. Improved Carrier-Transport Properties of Passivated Cdmnte Crystals

    SciTech Connect

    Kim, K.; Camarda, G; Bolotnikov, A; James, R; Hong, J; Kim, S

    2009-01-01

    By analyzing photoconductive decay curves, we compared the surface recombination velocities of semi-insulating CdMnTe:In crystals grown by the vertical Bridgman method with or without surface passivation. Sulfur passivation effectively prevents the formation of a conductive Te oxide layer on the CdMnTe surface and reduces the surface recombination velocities by about one third. We demonstrated, from IR observations of the distribution maps of Te precipitates, that their configuration affects the anomalous photoconductive decay curves and the gamma-ray spectrum in some areas of the CdMnTe crystal. Notably, not only the size but also the spatial configuration of the Te precipitates modulates the carrier-transport properties.

  8. Coarse grained modeling of transport properties in monoclonal antibody solution

    NASA Astrophysics Data System (ADS)

    Swan, James; Wang, Gang

    Monoclonal antibodies and their derivatives represent the fastest growing segment of the bio pharmaceutical industry. For many applications such as novel cancer therapies, high concentration, sub-cutaneous injections of these protein solutions are desired. However, depending on the peptide sequence within the antibody, such high concentration formulations can be too viscous to inject via human derived force alone. Understanding how heterogenous charge distribution and hydrophobicity within the antibodies leads to high viscosities is crucial to their future application. In this talk, we explore a coarse grained computational model of therapeutically relevant monoclonal antibodies that accounts for electrostatic, dispersion and hydrodynamic interactions between suspended antibodies to predict assembly and transport properties in concentrated antibody solutions. We explain the high viscosities observed in many experimental studies of the same biologics.

  9. Electrical Transport Properties of Au-Doped Deoxyribonucleic Acid Molecules

    NASA Astrophysics Data System (ADS)

    Hwang, Jong Seung; Hong, Su Heon; Kim, Hyung Kwon; Kwon, Young Whan; Jin, Jung Il; Hwang, Sung Woo; Ahn, Doyeol

    2005-04-01

    Deoxyribonucleic acid (DNA) molecules were doped with Au atoms and their electrical transport properties were measured. The Au doping was carried out by incubating a mixture of HAuCl4\\cdot3H2O and DNA solutions. The binding of Au atoms to DNA bases was identified using Fourier transform infrared spectroscopy and X-ray photoemission spectroscopy. The Au-doped DNA molecules were deposited on nanoelectrodes and the presence of the molecules between the electrodes was determined by both scanning electron microscopy and atomic force microscopy. Measurement of the current-voltage characteristics showed that the Au-doped DNA molecules exhibited a higher conductivity than undoped DNA molecules. Detailed analysis of the chemical composition shows that there is a strong possibility of reliably controlling the conductivity of DNA molecules using this method.

  10. Electronic transport properties of a quinone-based molecular switch

    NASA Astrophysics Data System (ADS)

    Zheng, Ya-Peng; Bian, Bao-An; Yuan, Pei-Pei

    2016-09-01

    In this paper, we carried out first-principles calculations based on density functional theory and non-equilibrium Green's function to investigate the electronic transport properties of a quinone-based molecule sandwiched between two Au electrodes. The molecular switch can be reversibly switched between the reduced hydroquinone (HQ) and oxidized quinone (Q) states via redox reactions. The switching behavior of two forms is analyzed through their I- V curves, transmission spectra and molecular projected self-consistent Hamiltonian at zero bias. Then we discuss the transmission spectra of the HQ and Q forms at different bias, and explain the oscillation of current according to the transmission eigenstates of LUMO energy level for Q form. The results suggest that this kind of a quinone-based molecule is usable as one of the good candidates for redox-controlled molecular switches.

  11. Dynamical and transport properties of liquid gallium at high pressures.

    PubMed

    Sheppard, D; Mazevet, S; Cherne, F J; Albers, R C; Kadau, K; Germann, T C; Kress, J D; Collins, L A

    2015-06-01

    Quantum molecular dynamics (QMD) simulations are used to calculate the equation of state, structure, and transport properties of liquid gallium along the principal shock Hugoniot. The calculated Hugoniot is in very good agreement with experimental data up to a pressure of 150 GPa as well as with our earlier classical molecular dynamics calculations using a modified embedded atom method (MEAM) potential. The self-diffusion and viscosity calculated using QMD agree with experimental measurements better than the MEAM results, which we attribute to capturing the complexity of the electronic structure at elevated temperatures. Calculations of the DC conductivity were performed around the Hugoniot. Above a density of 7.5 g/cm(3), the temperature increases rapidly along the Hugoniot, and the optical conductivity decreases, indicating simple liquid metal behavior.

  12. The electrical transport properties of liquid Rb using pseudopotential theory

    NASA Astrophysics Data System (ADS)

    Patel, A. B.; Bhatt, N. K.; Thakore, B. Y.; Vyas, P. R.; Jani, A. R.

    2014-04-01

    Certain electric transport properties of liquid Rb are reported. The electrical resistivity is calculated by using the self-consistent approximation as suggested by Ferraz and March. The pseudopotential due to Hasegawa et al for full electron-ion interaction, which is valid for all electrons and contains the repulsive delta function due to achieve the necessary s-pseudisation was used for the calculation. Temperature dependence of structure factor is considered through temperature dependent potential parameter in the pair potential. Finally, thermo-electric power and thermal conductivity are obtained. The outcome of the present study is discussed in light of other such results, and confirms the applicability of pseudopotential at very high temperature via temperature dependent pair potential.

  13. Optical and transport properties of dense liquid silica

    SciTech Connect

    Qi, Tingting; Millot, Marius; Kraus, Richard G.; Hamel, Sebastien; Root, Seth

    2015-06-15

    Using density-functional-theory based molecular dynamics and the Kubo-Greenwood linear response theory, we evaluated the high-pressure equation of state and the optical and transport properties of quartz and fused silica shock-compressed to 2000 GPa. The computed Hugoniots and corresponding optical reflectivity values are in very good agreement with published data for quartz, and new data that we obtained on fused silica using magnetically launched flyer plate experiments. The rise of optical reflectivity upon shock compression appears to be primarily a temperature-driven mechanism, which is relatively insensitive to small density variation. We observed that the electrical conductivity does not display Drude-like frequency dependence, especially at lower temperatures. In addition, the Wiedemann-Franz relation between electrical and thermal conductivities was found to be invalid. It suggests that even at three-fold compression, warm dense liquid silica on the Hugoniot curve is still far away from the degenerate limit.

  14. The electrical transport properties of liquid Rb using pseudopotential theory

    SciTech Connect

    Patel, A. B. Bhatt, N. K. Thakore, B. Y. Jani, A. R.; Vyas, P. R.

    2014-04-24

    Certain electric transport properties of liquid Rb are reported. The electrical resistivity is calculated by using the self-consistent approximation as suggested by Ferraz and March. The pseudopotential due to Hasegawa et al for full electron-ion interaction, which is valid for all electrons and contains the repulsive delta function due to achieve the necessary s-pseudisation was used for the calculation. Temperature dependence of structure factor is considered through temperature dependent potential parameter in the pair potential. Finally, thermo-electric power and thermal conductivity are obtained. The outcome of the present study is discussed in light of other such results, and confirms the applicability of pseudopotential at very high temperature via temperature dependent pair potential.

  15. Compaction and transport properties of newly replicated Caulobacter crescentus DNA.

    PubMed

    Hong, Sun-Hae; McAdams, Harley H

    2011-12-01

    Upon initiating replication of the Caulobacter chromosome, one copy of the parS centromere remains at the stalked pole; the other moves to the distal pole. We identified the segregation dynamics and compaction characteristics of newly replicated Caulobacter DNA during transport (highly variable from cell to cell) using time-lapse fluorescence microscopy. The parS centromere and a length (also highly variable) of parS proximal DNA on each arm of the chromosome are segregated with the same relatively slow transport pattern as the parS locus. Newly replicated DNA further than about 100 kb from parS segregates with a different and faster pattern, while loci at 48 kb from parS segregate with the slow pattern in some cells and the fast pattern in others. The observed parS-proximal DNA compaction characteristics have scaling properties that suggest the DNA is branched. HU2-deletion strains exhibited a reduced compaction phenotype except near the parS site where only the ΔHU1ΔHU2 double mutant had a compaction phenotype. The chromosome shows speed-dependent extension during translocation suggesting the DNA polymer is under tension. While DNA segregation is highly reliable and succeeds in virtually all wild-type cells, the high degree of cell to cell variation in the segregation process is noteworthy.

  16. Transport properties of ultrathin black phosphorus on hexagonal boron nitride

    SciTech Connect

    Doganov, Rostislav A.; Özyilmaz, Barbaros; Koenig, Steven P.; Yeo, Yuting; Watanabe, Kenji; Taniguchi, Takashi

    2015-02-23

    Ultrathin black phosphorus, or phosphorene, is a two-dimensional material that allows both high carrier mobility and large on/off ratios. Similar to other atomic crystals, like graphene or layered transition metal dichalcogenides, the transport behavior of few-layer black phosphorus is expected to be affected by the underlying substrate. The properties of black phosphorus have so far been studied on the widely utilized SiO{sub 2} substrate. Here, we characterize few-layer black phosphorus field effect transistors on hexagonal boron nitride—an atomically smooth and charge trap-free substrate. We measure the temperature dependence of the field effect mobility for both holes and electrons and explain the observed behavior in terms of charged impurity limited transport. We find that in-situ vacuum annealing at 400 K removes the p-doping of few-layer black phosphorus on both boron nitride and SiO{sub 2} substrates and reduces the hysteresis at room temperature.

  17. Transport properties of nanoconstrictions in armchair graphene ribbons

    NASA Astrophysics Data System (ADS)

    Romanovsky, Igor; Yannouleas, Constantine; Landman, Uzi

    2014-03-01

    The transport properties of nanoconstrictions and quantum-point contacts formed in atomically precise segmented armchair graphene nanoribbons (SaGRs) are investigated using a tight-binding non-equilibrium Green's function (TB-NEGF) approach and relativistic quantum-field theory modeling.[2] The TB behavior is accounted for by a one-dimensional Dirac-transfer-matrix (DTM) model using variable-mass (scalar-field) barriers assigned to the junctions between the nanoribbon segments. It is shown that the topology of the junctions (sharp versus smooth) and the ratio of length over width of the constriction are the principal factors influencing the height of the mass barriers, and thus they control the extent of trapping and confinement by the constriction of graphene's relativistic carriers, even in the case of all-metallic SaGRs. A rich variety of transport patterns ensues, ranging from ballistic quantized conductance to resonant tunneling associated with Coulomb blockade. Supported by the U.S. D.O.E. (FG05-86ER-45234).

  18. Electron Transport Materials: Synthesis, Properties and Device Performance

    SciTech Connect

    Cosimbescu, Lelia; Wang, Liang; Helm, Monte L.; Polikarpov, Evgueni; Swensen, James S.; Padmaperuma, Asanga B.

    2012-06-01

    We report the design, synthesis and characterization, thermal and photophysical properties of two silane based electron transport materials, dibenzo[b,d]thiophen-2-yltriphenylsilane (Si{phi}87) and (dibenzo[b,d]thiophen-2-yl)diphenylsilane (Si{phi}88) and their performance in blue organic light emitting devices (OLEDs). The utility of these materials in blue OLEDs with iridium (III) bis[(4,6-difluorophenyl)-pyridinato-N,C']picolinate (Firpic) as the phosphorescent emitter was demonstrated. Using the silane Si{phi}87 as the electron transport material (ETm) an EQE of 18.2% was obtained, with a power efficiency of 24.3 lm/W (5.8V at 1mA/cm{sup 2}), in a heterostructure. When Si{phi}88 is used, the EQE is 18.5% with a power efficiency of 26.0 lm/W (5.5V at 1mA/cm{sup 2}).

  19. Transport properties of liquid metal hydrogen under high pressures

    NASA Technical Reports Server (NTRS)

    Brown, R. C.; March, N. H.

    1972-01-01

    A theory is developed for the compressibility and transport properties of liquid metallic hydrogen, near to its melting point and under high pressure. The interionic force law is assumed to be of the screened Coulomb type, because hydrogen has no core electrons. The random phase approximation is used to obtain the structure factor S(k) of the system in terms of the Fourier transform of this force law. The long wavelenth limit of the structure factor S(o) is related to the compressibility, which is much lower than that of alkali metals at their melting points. The diffusion constant at the melting point is obtained in terms of the Debye frequency, using a frequency spectrum analogous with the phonon spectrum of a solid. A similar argument is used to obtain the combined shear and bulk viscosities, but these depend also on S(o). The transport coefficients are found to be about the same size as those of alkali metals at their melting points.

  20. Predicting the transport properties of sedimentary rocks from microstructure

    SciTech Connect

    Schlueter, E.M.

    1995-01-01

    Understanding transport properties of sedimentary rocks, including permeability, relative permeability, and electrical conductivity, is of great importance for petroleum engineering, waste isolation, environmental restoration, and other applications. These transport properties axe controlled to a great extent by the pore structure. How pore geometry, topology, and the physics and chemistry of mineral-fluid and fluid-fluid interactions affect the flow of fluids through consolidated/partially consolidated porous media are investigated analytically and experimentally. Hydraulic and electrical conductivity of sedimentary rocks are predicted from the microscopic geometry of the pore space. Cross-sectional areas and perimeters of individual pores are estimated from two-dimensional scanning electron microscope (SEM) photomicrographs of rock sections. Results, using Berea, Boise, Massilon, and Saint-Gilles sandstones show close agreement between the predicted and measured permeabilities. Good to fair agreement is found in the case of electrical conductivity. In particular, good agreement is found for a poorly cemented rock such as Saint-Gilles sandstone, whereas the agreement is not very good for well-cemented rocks. The possible reasons for this are investigated. The surface conductance contribution of clay minerals to the overall electrical conductivity is assessed. The effect of partial hydrocarbon saturation on overall rock conductivity, and on the Archie saturation exponent, is discussed. The region of validity of the well-known Kozeny-Carman permeability formulae for consolidated porous media and their relationship to the microscopic spatial variations of channel dimensions are established. It is found that the permeabilities predicted by the Kozeny-Carman equations are valid within a factor of three of the observed values methods.

  1. Testing different formulations of leading-order anisotropic hydrodynamics

    NASA Astrophysics Data System (ADS)

    Tinti, Leonardo; Ryblewski, Radoslaw; Florkowski, Wojciech; Strickland, Michael

    2016-02-01

    A recently obtained set of the equations for leading-order (3+1)D anisotropic hydrodynamics is tested against exact solutions of the Boltzmann equation with the collisional kernel treated in the relaxation time approximation. In order to perform detailed comparisons, the new anisotropic hydrodynamics equations are reduced to the boost-invariant and transversally homogeneous case. The agreement with the exact solutions found using the new anisotropic hydrodynamics equations is similar to that found using previous, less general formulations of anisotropic hydrodynamics. In addition, we find that, when compared to a state-of-the-art second-order viscous hydrodynamics framework, leading-order anisotropic hydrodynamics better reproduces the exact solution for the pressure anisotropy and gives comparable results for the bulk pressure evolution. Finally, we compare the transport coefficients obtained using linearized anisotropic hydrodynamics with results obtained using second-order viscous hydrodynamics.

  2. RELATIONSHIP BETWEEN CELL SURFACE PROPERTIES AND TRANSPORT OF BACTERIA THROUGH SOIL

    EPA Science Inventory

    A study was conducted to relate the properties of Enterobacter, Pseudomonas, Bacillus, Achromobacter, Flavobacterium, and Arthrobacter strains to their transport with water moving through soil. the bacteria differed markedly in their extent of transport; their hydrophobicity, as...

  3. In-plane anisotropic effect of magnetoelectric coupled PMN-PT/FePt multiferroic heterostructure: Static and microwave properties

    NASA Astrophysics Data System (ADS)

    Vargas, Jose M.; Gómez, Javier

    2014-10-01

    The effects of the electric and magnetic field variation on multiferroic heterostructure were studied in this work. Thin films of polycrystalline Fe50Pt50 (FePt) were grown by dc-sputtering on top of the commercial slabs of lead magnesium niobate-lead titanate (PMN-PT). The sample was a (011)-cut single crystal and had one side polished. In this condition, the PMN-PT/FePt operates in the L-T (longitudinal magnetized-transverse polarized) mode. A FePt thin film of 20 nm was used in this study to avoid the characteristic broad microwave absorption line associated with these films above thicknesses of 40 nm. For the in-plane easy magnetization axis (01-1), a microwave magnetoelectric (ME) coupling of 28 Oe cm kV -1 was estimated, whereas a value of 42 Oe cm kV -1 was obtained through the hard magnetization axis (100). Insight into the effects of the in-plane strain anisotropy on the ME coupling is obtained from the dc-magnetization loops. It was observed that the trend was opposite along the easy and hard magnetic directions. In particular, along the easy-magnetic axis (01-1), a square and narrow loop with a factor of Mr/MS of 0.96 was measured at 10 kV/cm. Along the hard-magnetic axis, a factor of 0.16 at 10 kV/cm was obtained. Using electric tuning via microwave absorption at X-band (9.78 GHz), we observe completely different trends along the easy and hard magnetic directions; Multiple absorption lines along the latter axis compared to a single and narrower absorption line along the former. In spite of its intrinsic complexity, we propose a model which gives good agreement both for static and microwave properties. These observations are of fundamental interest for future ME microwave components, such as filters, phase-shifters, and resonators.

  4. Dependence of dynamic magnetization and magneto-transport properties of FeAlSi films with oblique sputtering studied via spin rectification effect

    SciTech Connect

    Soh, Wee Tee; Ong, C. K.; Zhong, Xiaoxi

    2014-09-15

    FeAlSi (Sendust) is known to possess excellent soft magnetic properties comparable to traditional soft magnetic alloys such as NiFe (Permalloy), while having a relatively higher resistance for lower eddy current losses. However, their dynamic magnetic and magneto-transport properties are not well-studied. Via the spin rectification effect, we electrically characterize a series of obliquely sputtered FeAlSi films at ferromagnetic resonance. The variations of the anisotropy fields and damping with oblique angle are extracted and discussed. In particular, two-magnon scattering is found to dominate the damping behavior at high oblique angles. An analysis of the results shows large anomalous Hall effect and anisotropic magneto-resistance across all samples, which decreases sharply with increasing oblique incidence.

  5. Anisotropic nanomaterials: structure, growth, assembly, and functions

    PubMed Central

    Sajanlal, Panikkanvalappil R.; Sreeprasad, Theruvakkattil S.; Samal, Akshaya K.; Pradeep, Thalappil

    2011-01-01

    Comprehensive knowledge over the shape of nanomaterials is a critical factor in designing devices with desired functions. Due to this reason, systematic efforts have been made to synthesize materials of diverse shape in the nanoscale regime. Anisotropic nanomaterials are a class of materials in which their properties are direction-dependent and more than one structural parameter is needed to describe them. Their unique and fine-tuned physical and chemical properties make them ideal candidates for devising new applications. In addition, the assembly of ordered one-dimensional (1D), two-dimensional (2D), and three-dimensional (3D) arrays of anisotropic nanoparticles brings novel properties into the resulting system, which would be entirely different from the properties of individual nanoparticles. This review presents an overview of current research in the area of anisotropic nanomaterials in general and noble metal nanoparticles in particular. We begin with an introduction to the advancements in this area followed by general aspects of the growth of anisotropic nanoparticles. Then we describe several important synthetic protocols for making anisotropic nanomaterials, followed by a summary of their assemblies, and conclude with major applications. PMID:22110867

  6. Elastic and transport properties in polycrystals of crackedgrains: Cross-property relations and microstructure

    SciTech Connect

    Berryman, J.G.

    2007-10-02

    Some arguments of Bristow (1960) concerning the effects of cracks on elastic and transport (i.e., electrical or thermal conduction) properties of cold-worked metals are reexamined. The discussion is posed in terms of a modern understanding of bounds and estimates for physical properties of polycrystals--in contrast to Bristow's approach using simple mixture theory. One type of specialized result emphasized here is the cross-property estimates and bounds that can be obtained using the methods presented. Our results ultimately agree with those of Bristow, i.e., confirming that microcracking is not likely to be the main cause of the observed elastic behavior of cold-worked metals. However, it also becomes clear that the mixture theory approach to the analysis is too simple and that crack-crack interactions are necessary for proper quantitative study of Bristow's problem.

  7. First-principles calculations of the superconducting properties in Li-decorated monolayer graphene within the anisotropic Migdal-Eliashberg formalism

    NASA Astrophysics Data System (ADS)

    Zheng, Jing-Jing; Margine, E. R.

    2016-08-01

    The ab initio anisotropic Migdal-Eliashberg formalism has been used to examine the pairing mechanism and the nature of the superconducting gap in the recently discovered lithium-decorated monolayer graphene superconductor. Our results provide evidence that the superconducting transition in Li-decorated monolayer graphene can be explained within a standard phonon-mediated mechanism. We predict a single anisotropic superconducting gap and a critical temperature Tc=5.1 -7.6 K , in very good agreement with the experimental results.

  8. Low Temperature Carrier Transport Properties in Isotopically Controlled Germanium

    NASA Astrophysics Data System (ADS)

    Itoh, Kohei

    Investigations of electronic and optical properties of semiconductors often require specimens with extremely homogeneous dopant distributions and precisely controlled net-carrier concentrations and compensation ratios. The previous difficulties in fabricating such samples are overcome as reported in this thesis by growing high-purity Ge single crystals of controlled ^{74}Ge and ^{70}Ge isotopic compositions, and doping these crystals by the neutron transmutation doping (NTD) technique. The resulting net-impurity concentrations and the compensation ratios are precisely determined by the thermal neutron fluence and the (^{74 }Ge) / (^{70}Ge) ratios of the starting Ge materials, respectively. This method also guarantees unprecedented doping uniformity. Using such samples we have conducted four types of electron (hole) transport studies probing the nature of (1) free carrier scattering by neutral impurities, (2) free carrier scattering by ionized impurities, (3) low temperature hopping conduction, and (4) free carrier transport in samples close to the metal-insulator transition. We have also performed infrared absorption spectroscopy studies of compensated Ge samples, investigating the line broadening mechanism due to random electric fields arising from ionized impurity centers. In the study of neutral impurity scattering, we find excellent agreement between the low temperature experimental mobility and phase shift calculations for the hydrogen atom scaled to shallow impurities in semiconductors. In the ionized impurity scattering study, none of the theories we have tested so far explains our low temperature experimental mobilities in highly compensated Ge (K>0.3). We discuss possible problems associated with the theories, in particular, the treatment of the screening mechanism. In the study of low temperature hopping conduction, we show results of temperature dependent resistivity measurements as a function of both the net-carrier concentration and the compensation

  9. Microstructure and water vapor transport properties of temperature sensitive polyurethanes

    NASA Astrophysics Data System (ADS)

    Ding, Xuemei

    Temperature sensitive polyurethane (TS-PU) is one novel type of smart polymers. The water vapor permeability (WVP) of its membrane could undergo a significant increase as temperature increases within a predetermined temperature range. Such smart property enables this material to have a broad range of potential applications to textile industry, medicine, environmental fields and so on. However, based on the literature review, contradicting results were found on some TS-PUs. The aims of this project are to synthesize TS-PU with Tm in the broader temperature range including ambient temperature range, and then investigate systematically the relationships between microstructure and water vapor transport properties of TS-PU. For this purpose, in this project, a series of polyurethanes (PU) were synthesized using five different crystalline polyols with approximately similar molecule weight and three different hydrophilic contents, and dense membranes were prepared accordingly. The microstructure and properties of these PUs were investigated using DSC, WAXD, DMA, FTIR, GPC, POM, TEM, SEM and PALS. Their equilibrium water sorption and water vapor permeability were measured accordingly. Results show that crystal melting of these resulting PUs take place in the temperature range from -10--60°C as desired. Storage modulus (E') drops down quickly in the temperature range of crystal melting, suggesting a great transition in the predetermined temperature range. The decreased HSC as well as regular chemical structure of polyols results in the larger spherulites and higher melting end temperature, and the higher crystallinity induces the more obvious incompatibility of soft segment and hard segment in the PUs. These PUs are proved to have good enough tensile properties for textile application. The mean free volume size and fractional free volume increase more significantly in the temperature range of crystal melting than in other temperature intervals. Finally, as expected, the

  10. Interfacial and transport properties of nanoconstrained inorganic and organic materials

    NASA Astrophysics Data System (ADS)

    Kocherlakota, Lakshmi Suhasini

    Nanoscale constraints impact the material properties of both organic and inorganic systems. The systems specifically studied here are (i) nanoconstrained polymeric systems, poly(l-trimethylsilyl-1-propyne) (PTMSP) and poly(ethylene oxide) (PEO) relevant to gas separation membranes (ii) Zwitterionic polymers poly(sulfobetaine methacrylate)(pSBMA), poly(carboxybetaine acrylamide) (pCBAA), and poly(oligo(ethylene glycol) methyl methacrylate) (PEGMA) brushes critical for reducing bio-fouling (iii) Surface properties of N-layer graphene sheets. Interfacial constraints in ultrathin poly(l-trimethylsilyl-1-propyne) (PTMSP) membranes yielded gas permeabilities and CO2/helium selectivities that exceed bulk PTMSP membrane transport properties by up to three-fold for membranes of submicrometer thickness. Indicative of a free volume increase, a molecular energetic mobility analysis (involving intrinsic friction analysis) revealed enhanced methyl side group mobilities in thin PTMSP membranes with maximum permeation, compared to bulk films. Aging studies conducted over the timescales relevant to the conducted experiments signify that the free volume states in the thin film membranes are highly unstable in the presence of sorbing gases such as CO2. To maintain this high free volume configuration of polymer while improving the temporal stability an "inverse" architecture to conventional polymer nanocomposites was investigated, in which the polymer phase of PTMSP and PEO were interfacially and dimensionally constrained in nanoporous anodic aluminum oxide (AAO) membranes. While with this architecture the benefits of nanocomposite and ultrathin film membranes of PTMSP could be reproduced and improved upon, also the temporal stability could be enhanced substantially. The PEO-AAO nanocomposite membranes also revealed improved gas selectivity properties of CO2 over helium. In the thermal transition studies of zwitterionic pSBMA brushes a reversible critical transition temperature of 60

  11. Transport properties of damaged materials. Cementitious barriers partnership

    SciTech Connect

    Langton, C.

    2014-11-01

    The objective of the Cementitious Barriers Partnership (CBP) project is to develop tools to improve understanding and prediction of the long-term structural, hydraulic, and chemical performance of cementitious barriers used in low-level waste storage applications. One key concern for the long-term durability of concrete is the degradation of the cementitious matrix, which occurs as a result of aggressive chemical species entering the material or leaching out in the environment, depending on the exposure conditions. The objective of the experimental study described in this report is to provide experimental data relating damage in cementitious materials to changes in transport properties, which can eventually be used to support predictive model development. In order to get results within a reasonable timeframe and to induce as much as possible uniform damage level in materials, concrete samples were exposed to freezing and thawing (F/T) cycles. The methodology consisted in exposing samples to F/T cycles and monitoring damage level with ultrasonic pulse velocity measurements. Upon reaching pre-selected damage levels, samples were tested to evaluate changes in transport properties. Material selection for the study was motivated by the need to get results rapidly, in order to assess the relevance of the methodology. Consequently, samples already available at SIMCO from past studies were used. They consisted in three different concrete mixtures cured for five years in wet conditions. The mixtures had water-to-cement ratios of 0.5, 0.65 and 0.75 and were prepared with ASTM Type I cement only. The results showed that porosity is not a good indicator for damage caused by the formation of microcracks. Some materials exhibited little variations in porosity even for high damage levels. On the other hand, significant variations in tortuosity were measured in all materials. This implies that damage caused by internal pressure does not necessarily create additional pore space in

  12. Lévy Flights due to Anisotropic Disorder in Graphene.

    PubMed

    Gattenlöhner, S; Gornyi, I V; Ostrovsky, P M; Trauzettel, B; Mirlin, A D; Titov, M

    2016-07-22

    We study transport properties of graphene with anisotropically distributed on-site impurities (adatoms) that are randomly placed on every third line drawn along carbon bonds. We show that stripe states characterized by strongly suppressed backscattering are formed in this model in the direction of the lines. The system reveals Lévy-flight transport in the stripe direction such that the corresponding conductivity increases as the square root of the system length. Thus, adding this type of disorder to clean graphene near the Dirac point strongly enhances the conductivity, which is in stark contrast with a fully random distribution of on-site impurities, which leads to Anderson localization. The effect is demonstrated both by numerical simulations using the Kwant code and by an analytical theory based on the self-consistent T-matrix approximation.

  13. Lévy Flights due to Anisotropic Disorder in Graphene

    NASA Astrophysics Data System (ADS)

    Gattenlöhner, S.; Gornyi, I. V.; Ostrovsky, P. M.; Trauzettel, B.; Mirlin, A. D.; Titov, M.

    2016-07-01

    We study transport properties of graphene with anisotropically distributed on-site impurities (adatoms) that are randomly placed on every third line drawn along carbon bonds. We show that stripe states characterized by strongly suppressed backscattering are formed in this model in the direction of the lines. The system reveals Lévy-flight transport in the stripe direction such that the corresponding conductivity increases as the square root of the system length. Thus, adding this type of disorder to clean graphene near the Dirac point strongly enhances the conductivity, which is in stark contrast with a fully random distribution of on-site impurities, which leads to Anderson localization. The effect is demonstrated both by numerical simulations using the Kwant code and by an analytical theory based on the self-consistent T -matrix approximation.

  14. Directional wetting in anisotropic inverse opals.

    PubMed

    Phillips, Katherine R; Vogel, Nicolas; Burgess, Ian B; Perry, Carole C; Aizenberg, Joanna

    2014-07-01

    Porous materials display interesting transport phenomena due to restricted motion of fluids within the nano- to microscale voids. Here, we investigate how liquid wetting in highly ordered inverse opals is affected by anisotropy in pore geometry. We compare samples with different degrees of pore asphericity and find different wetting patterns depending on the pore shape. Highly anisotropic structures are infiltrated more easily than their isotropic counterparts. Further, the wetting of anisotropic inverse opals is directional, with liquids filling from the side more easily. This effect is supported by percolation simulations as well as direct observations of wetting using time-resolved optical microscopy. PMID:24941308

  15. Directional wetting in anisotropic inverse opals.

    PubMed

    Phillips, Katherine R; Vogel, Nicolas; Burgess, Ian B; Perry, Carole C; Aizenberg, Joanna

    2014-07-01

    Porous materials display interesting transport phenomena due to restricted motion of fluids within the nano- to microscale voids. Here, we investigate how liquid wetting in highly ordered inverse opals is affected by anisotropy in pore geometry. We compare samples with different degrees of pore asphericity and find different wetting patterns depending on the pore shape. Highly anisotropic structures are infiltrated more easily than their isotropic counterparts. Further, the wetting of anisotropic inverse opals is directional, with liquids filling from the side more easily. This effect is supported by percolation simulations as well as direct observations of wetting using time-resolved optical microscopy.

  16. Stochastic microstructural modeling of fuel cell gas diffusion layers and numerical determination of transport properties in different liquid water saturation levels

    NASA Astrophysics Data System (ADS)

    Tayarani-Yoosefabadi, Z.; Harvey, D.; Bellerive, J.; Kjeang, E.

    2016-01-01

    Gas diffusion layer (GDL) materials in polymer electrolyte membrane fuel cells (PEMFCs) are commonly made hydrophobic to enhance water management by avoiding liquid water blockage of the pores and facilitating reactant gas transport to the adjacent catalyst layer. In this work, a stochastic microstructural modeling approach is developed to simulate the transport properties of a commercial carbon paper based GDL under a range of PTFE loadings and liquid water saturation levels. The proposed novel stochastic method mimics the GDL manufacturing process steps and resolves all relevant phases including fiber, binder, PTFE, liquid water, and gas. After thorough validation of the general microstructure with literature and in-house data, a comprehensive set of anisotropic transport properties is simulated for the reconstructed GDL in different PTFE loadings and liquid water saturation levels and validated through a comparison with in-house ex situ experimental data and empirical formulations. In general, the results show good agreement between simulated and measured data. Decreasing trends in porosity, gas diffusivity, and permeability is obtained by increasing the PTFE loading and liquid water content, while the thermal conductivity is found to increase with liquid water saturation. Using the validated model, new correlations for saturation dependent GDL properties are proposed.

  17. On uniqueness and non-degeneracy of anisotropic polarons

    NASA Astrophysics Data System (ADS)

    Ricaud, Julien

    2016-05-01

    We study the anisotropic Choquard-Pekar equation which describes a polaron in an anisotropic medium. We prove the uniqueness and non-degeneracy of minimizers in a weakly anisotropic medium. In addition, for a wide range of anisotropic media, we derive the symmetry properties of minimizers and prove that the kernel of the associated linearized operator is reduced, apart from three functions coming from the translation invariance, to the kernel on the subspace of functions that are even in each of the three principal directions of the medium.

  18. Thermodynamic and transport combustion properties of hydrocarbons with air. Part 1: Properties in SI units

    NASA Astrophysics Data System (ADS)

    Gordon, S.

    1982-07-01

    Thermodynamic and transport combustion properties were calculated for a wide range of conditions for the reaction of hydrocarbons with air. Three hydrogen-carbon atom ratios (H/C = 1.7, 2.0, 2.1) were selected to represent the range of aircraft fuels. For each of these H/C ratios, combustion properties were calculated for the following conditions: Equivalence ratio: 0, 0.25, 0.5, 0.75, 1.0, 1.25 Water - dry air mass ratio: 0, 0.03 Pressure, kPa: 1.01325, 10.1325, 101.325, 1013.25, 5066.25 (or in atm: 0.01, 0.1, 1, 10, 50) Temperature, K: every 10 degrees from 200 to 900 K; every 50 degrees from 900 to 3000 K Temperature, R: every 20 degrees from 360 to 1600 R; very 100 degrees from 1600 to 5400 R. The properties presented are composition, density, molecular weight, enthalphy, entropy, specific heat at constant pressure, volume derivatives, isentropic exponent, velocity of sound, viscosity, thermal conductivity, and Prandtl number. Property tables are based on composites that were calculated by assuming both: (1) chemical equilibrium (for both homogeneous and heterogeneous phases) and (2) constant compositions for all temperatures. Properties in SI units are presented in this report for the Kelvin temperature schedules.

  19. Thermodynamic and transport combustion properties of hydrocarbons with air. Part 1: Properties in SI units

    NASA Technical Reports Server (NTRS)

    Gordon, S.

    1982-01-01

    Thermodynamic and transport combustion properties were calculated for a wide range of conditions for the reaction of hydrocarbons with air. Three hydrogen-carbon atom ratios (H/C = 1.7, 2.0, 2.1) were selected to represent the range of aircraft fuels. For each of these H/C ratios, combustion properties were calculated for the following conditions: Equivalence ratio: 0, 0.25, 0.5, 0.75, 1.0, 1.25 Water - dry air mass ratio: 0, 0.03 Pressure, kPa: 1.01325, 10.1325, 101.325, 1013.25, 5066.25 (or in atm: 0.01, 0.1, 1, 10, 50) Temperature, K: every 10 degrees from 200 to 900 K; every 50 degrees from 900 to 3000 K Temperature, R: every 20 degrees from 360 to 1600 R; very 100 degrees from 1600 to 5400 R. The properties presented are composition, density, molecular weight, enthalphy, entropy, specific heat at constant pressure, volume derivatives, isentropic exponent, velocity of sound, viscosity, thermal conductivity, and Prandtl number. Property tables are based on composites that were calculated by assuming both: (1) chemical equilibrium (for both homogeneous and heterogeneous phases) and (2) constant compositions for all temperatures. Properties in SI units are presented in this report for the Kelvin temperature schedules.

  20. Magnetic and transport properties of PrRhSi3.

    PubMed

    Anand, V K; Adroja, D T; Hillier, A D

    2013-05-15

    We have investigated the magnetic and transport properties of a noncentrosymmetric compound PrRhSi3 by dc magnetic susceptibility χ(T), isothermal magnetization M(H), thermoremanent magnetization M(t), specific heat Cp(T), electrical resistivity ρ(T,H) and muon spin relaxation (μSR) measurements. At low fields χ(T) shows two anomalies near 15 and 7 K with an irreversibility between ZFC and FC data below 15 K. In contrast, no anomaly is observed in Cp(T) or ρ(T) data. M(H) data at 2 K exhibit very sharp increase below 0.5 T and a weak hysteresis. M(t) exhibits very slow relaxation, typical for a spin-glass system. Even though the absence of any anomaly in Cp(T) is consistent with the spin-glass type behavior, there is no obvious origin of spin-glass behavior in this structurally well ordered compound. The crystal electric field (CEF) analysis of Cp(T) data indicates a CEF-split singlet ground state lying below a doublet at 81(1) K and a quasi-triplet at 152(2) K. The ρ(T) data indicate a metallic behavior, and ρ(H) exhibits a very high positive magnetoresistance, as high as ~300% in 9 T at 2 K. No long range magnetic order or spin-glass behavior was detected in a μSR experiment down to 1.2 K.

  1. Transport properties of bismuth nano-wire systems.

    NASA Astrophysics Data System (ADS)

    Zhang, Z.; Dresselhaus, M. S.; Ying, J. Y.; Heremans, J.

    1998-03-01

    Ultra-fine Bi nano-wires (10--120 nm diameter) with packing density as high as 7×10^10/cm^2 were fabricated by pressure injecting molten Bi into the evacuated channels of an anodic alumina template. The resulting Bi nano-wires are shown to be single crystals (with the same structure as bulk Bi) and all the nano-wires are similarly oriented. The small effective mass of Bi, high anisotropy of its Fermi surface, and the high aspect ratio (length/diameter) of Bi nano-wires make this an excellent system for studying quantum confinement effects in a one-dimensional (1D) electron gas. Transport properties, such as electrical conductivity, magnetoresistance and thermoelectric power, are investigated for both Bi nano-wire arrays and free-standing Bi nano-wires with various wire diameters (10-120 nm) and Te doping concentrations (0.025-0.5 at.%), and at various temperatures and magnetic fields. A theoretical model based on the basic band structure of bulk Bi, suitably modified for the 1D situation, explains the many unusual effects that are observed. Strong evidence is provided for an interesting quantum confinement-induced semimetal to semiconductor transition in such Bi nano-wires.

  2. Thermodynamic and transport properties of aqueous and molten electrolytes

    SciTech Connect

    Conway, B.E.; Bockris, J.O.M.; Yeager, E.

    1983-01-01

    This book examines the physical chemistry of electrolytes in solution and in the molten state. Topics considered include ionic solvation (solvents, thermodynamic and transport properties, spectroscopic and diffraction methods, theoretical aspects of solvation), ionic interactions and activity behavior of electrolyte solutions (the Debye-Hueckel evaluation of the activity coefficient of an electrolyte in solution, statistical-mechanical treatments of ionic interactions in solution, ion-solvent interactions in the activity behavior of electrolytes, short-range ionic interactions), the conductance of electrolyte solutions (the basis of the Onsager approach, the boundary conditions, differential equations for two-particle distribution functions, recent developments in conductance, transference numbers, ionic limiting mobilities, the conductance of mixtures of electrolytes, optimization in measurements and data processing), proton solvation and proton transfer in chemical and electrochemical processes (proton solvation and characterization of the H/sub 3/O/sup +/ ion, proton transfer in chemical ionization processes in solution, continuous proton transfer in conductance processes, proton transfer in electrode processes), and the structure and thermodynamics of molten salts (molten salts as liquids, single salts, salt mixtures). Nonaqueous solutions are not covered in this volume.

  3. Prediction of transport properties related to heat transfer

    NASA Astrophysics Data System (ADS)

    Kestin, J.

    The lecture defines the problems which are encountered in the creation of data banks for use in computer-aided design in modern industry. In addition to the obvious requirements of accuracy, the lecture discusses the problem of internal and external consistency and places great emphasis on the less quantifiable characteristics which good data must possess, notably reliability. The lecture briefly characterizes the degree of accuracy with which it is necessary to know the transport properties of fluids in order to design heat-transfer equipment with success. The second part of the lecture describes the extended law of corresponding states for gases, emphasizing its roots in statistical thermodynamics. Taking low-density noble gases and their mixtures as one extreme, the lecture analyzes the progress that has been made during the last twenty-five years from the point of view of calculation. Extensions of the extended law of corresponding states to higher densities and more complex molecules are mentioned at the end.

  4. Experimental investigation of electron transport properties of gallium nitride nanowires

    NASA Astrophysics Data System (ADS)

    Motayed, Abhishek; Davydov, Albert V.; Mohammad, S. N.; Melngailis, John

    2008-07-01

    We report transport properties of gallium nitride (GaN) nanowires grown using direct reaction of ammonia and gallium vapor. Reliable devices, such as four-terminal resistivity measuring structures and field-effect transistors, were realized by dielectrophoretically aligning the nanowires on an oxidized silicon substrate and subsequently applying standard microfabrication techniques. Room-temperature resistivity in the range of (1.0-6.2)×10-2 Ω cm was obtained for the nanowires with diameters ranging from 200 to 90 nm. Temperature-dependent resistivity and mobility measurements indicated the possible sources for the n-type conductivity and high background charge carrier concentration in these nanowires. Specific contact resistance in the range of 5.0×10-5 Ω cm2 was extracted for Ti/Al/Ti/Au metal contacts to GaN nanowires. Significant reduction in the activation energy of the dopants at low temperatures (<200 K) was observed in the temperature-dependent resistivity measurement of these nanowires, which is linked to the onset of degeneracy. Temperature-dependent field-effect mobility measurements indicated that the ionized impurity scattering is the dominant mechanism in these nanowires at all temperatures.

  5. Nanostructured semiconductors for thermoelectric energy conversion: Synthesis and transport properties

    NASA Astrophysics Data System (ADS)

    Sahoo, Pranati

    Increasing energy demands and decreasing natural energy resources have sparked search for alternative clean and renewable energy sources. For instance, currently there is a tremendous interest in thermoelectric and photovoltaic solar energy production technologies. Half-Heusler (HH) alloys are among the most popular material systems presently under widespread investigations for high temperature thermoelectric energy conversion. Approaches to increase the thermoelectric figure of merit (ZT) of HH range from (1) chemical substitution of atoms with different masses within the same atomic position in the crystal structure to optimize carrier concentration and enhance phonon scattering via mass fluctuation and (2) embedding secondary phonon scattering centers in the matrix (nanostructuring) to further reduce thermal conductivity. This work focuses on three material systems. The first part describes the synthesis and properties (thermal conductivity, electrical conductivity, magnetic) of various oxide nanostructures (NiO, Co3O4) which were subsequently used as inclusion phases in a HH matrix to reduce the thermal conductivity. Detailed reviews of the past efforts along with the current effort to optimize synthetic routes are presented. The effects of the synthesis conditions on the thermoelectric properties of compacted pellets of NiO and Co3O4 are also discussed. The second part of the work discusses the development of synthetic strategies for the fabrication of p-type and n-type bulk nanostructured thermoelectric materials made of a half-Heusler matrix based on (Ti,Hf)CoSb, containing nanostructures with full-Heusler (FH) compositions and structures coherently embedded inside the half-Heusler matrix. The role of the nanostructures in the regulation of phonon and charge carrier transports within the half-heusler matrix is extensively discussed by combining transport data and electron microscopy images. It was found that the FH nanoinclusions form staggered

  6. Understanding electronic structure and transport properties in nanoscale junctions

    NASA Astrophysics Data System (ADS)

    Dhungana, Kamal B.

    Understanding the electronic structure and the transport properties of nanoscale materials are pivotal for designing future nano-scale electronic devices. Nanoscale materials could be individual or groups of molecules, nanotubes, semiconducting quantum dots, and biomolecules. Among these several alternatives, organic molecules are very promising and the field of molecular electronics has progressed significantly over the past few decades. Despite these progresses, it has not yet been possible to achieve atomic level control at the metal-molecule interface during a conductance measurement, which hinders the progress in this field. The lack of atomic level information of the interface also makes it much harder for theorist to interpret the experimental results. To identify the junction configuration that possibly exists during the experimental measurement of conductance in molecular junction, we created an ensemble of Ruthanium-bis(terpyridine) molecular devices, and studied the transport behavior in these molecular junctions. This helps us identifying the junction geometry that yields the experimentally measured current-voltage characteristics. Today's electronic devices mostly ignore the spin effect of an electron. The inclusion of spin effect of an electron on solid-state transistor allows us to build more efficient electronic devices; this also alleviates the problem of huge heat dissipation in the nanoscale electronic devices. Different materials have been utilized to build three terminals spin transistor since its inception in 1950. In search of suitable candidates for the molecular spin transistor, we have recently designed a spin-valve transistor based on an organometallic molecule; a large amplification (320 %) in tunnel magneto-resistance (TMR) is found to occur at an experimentally accessible gate field. This suggests that the organic molecules can be utilized for making the next generation three terminal spintronic devices. Similarly, we have designed a

  7. Anisotropic wetting properties on a precision-ground micro-V-grooved Si surface related to their micro-characterized variables

    NASA Astrophysics Data System (ADS)

    Li, P.; Xie, J.; Cheng, J.; Wu, K. K.

    2014-07-01

    Micro-characterized variables are proposed to precisely characterize a micro-V-grooved Si surface through the 3D measured topography rather than the designed one. In this study, level and gradient micro-grooved surfaces with depth of 25-80 µm were precisely and smoothly fabricated using a new micro-grinding process rather than laser machining and chemical etching. The objective is to investigate how these accurate micro-characterized variables systematically influence anisotropic wetting and droplet self-movement on such regular micro-structured surfaces without surface chemical modification. First, the anisotropic wetting, droplet sliding, pinning effect and droplet impact were experimentally investigated; then, theoretical anisotropic wetting models were constructed to predict and design the anisotropic wetting. The experiments show that the level micro-V-grooved surface produces the anisotropic wetting and pinning effects. It not only approximates superhydrophobicity but also produces high surface free energy. Moreover, the gradient micro-V-grooved surface with large pitch may lead to much easier droplet sliding than the level one along the micro-groove. The droplet self-movement trend increases with increasing the micro-groove gradient and micro-V-groove ratio. The micro-groove pitch and depth also influence the droplet impact. Theoretical analyses show that the wetting anisotropy and the droplet anisotropy both reach their largest value and disappear for a sharp micro-groove top when the micro-V-groove ratio is equal to 0.70 and 2.58, respectively, which may change the wetting between the composite state and the non-composite state. It is confirmed that the wetting behavior may be designed and predicted by the accurate micro-characterized variables of a regular micro-structured surface.

  8. Remarks on inhomogeneous anisotropic cosmology

    NASA Astrophysics Data System (ADS)

    Kaya, Ali

    2016-08-01

    Recently a new no-global-recollapse argument was given for some inhomogeneous and anisotropic cosmologies that utilizes surface deformation by the mean curvature flow. In this paper we discuss important properties of the mean curvature flow of spacelike surfaces in Lorentzian manifolds. We show that singularities may form during cosmic evolution, and the theorems forbidding the global recollapse lose their validity. The time evolution of the spatial scalar curvature that may kinematically prevent the recollapse is determined in normal coordinates, which shows the impact of inhomogeneities explicitly. Our analysis indicates a caveat in numerical solutions that give rise to inflation.

  9. 3D dye patterns and physical soil properties under two contrasting land uses: Anisotropic variance structures and its influence on solute leaching

    NASA Astrophysics Data System (ADS)

    Schwen, Andreas; Backus, Jason; Walton, Riley J.; Wendroth, Ole

    2014-05-01

    Leaching of solutes below the root zone has been identified as a main source of potential groundwater pollution. In structured soils, preferential flow paths can have a significant influence on rapid leaching of solutes. Dye tracer experiments have been frequently used to map the spatial distribution of macropore structures. However, the relative influence of the macropore network on solute leaching under field conditions and its correlation with physical properties of the matric soil (texture, density, mechanical strength) and land use effects have not been analyzed yet and require innovative sampling techniques. The objectives of the present study were to map the macropore network and analyze the leaching behaviour of a conservative tracer under two contrasting land uses. Ponded infiltration experiments with Potassiumbromide (KBr) and Brilliant Blue (BB) were conducted on a silt loam soil in Lexington, KY. Two land use systems, grassland and cropland (wheat), were tested. At soil water content close to field capacity, a total of 30 mm multi-tracer solution was infiltrated on an area of 1.2 × 0.7 m with a ponding head of 20 mm. The concentrations of KBr and BB were 10 and 5 g/L, respectively. After 24 hours, 10 profile sections (width: 100 cm, depth: 70 cm) were excavated in steps of 5 cm and sampled. Dye stained areas were mapped based on digital image analysis. The relative dye coverage was calculated as a function of depth. Vane shear resistance was measured as a proxy for soil mechanical strength. At every other profile section, the soil was sampled for soil water content at regular intervals along a 10 × 10 cm raster. X-ray fluorescence analysis was used to derive concentrations of Br, SiO2 and Al2O3, the latter two being used as proxy for soil particle size distribution. Anisotropic variance and covariance analysis was applied to derive direction-dependent correlations between physical, mechanical, and hydrological observations and to identify the relative

  10. Anisotropic magnetoresistance in an antiferromagnetic semiconductor.

    PubMed

    Fina, I; Marti, X; Yi, D; Liu, J; Chu, J H; Rayan-Serrao, C; Suresha, S; Shick, A B; Zelezný, J; Jungwirth, T; Fontcuberta, J; Ramesh, R

    2014-01-01

    Recent studies in devices comprising metal antiferromagnets have demonstrated the feasibility of a novel spintronic concept in which spin-dependent phenomena are governed by an antiferromagnet instead of a ferromagnet. Here we report experimental observation of the anisotropic magnetoresistance in an antiferromagnetic semiconductor Sr2IrO4. Based on ab initio calculations, we associate the origin of the phenomenon with large anisotropies in the relativistic electronic structure. The antiferromagnet film is exchange coupled to a ferromagnet, which allows us to reorient the antiferromagnet spin-axis in applied magnetic fields via the exchange spring effect. We demonstrate that the semiconducting nature of our AFM electrode allows us to perform anisotropic magnetoresistance measurements in the current-perpendicular-to-plane geometry without introducing a tunnel barrier into the stack. Temperature-dependent measurements of the resistance and anisotropic magnetoresistance highlight the large, entangled tunabilities of the ordinary charge and spin-dependent transport in a spintronic device utilizing the antiferromagnet semiconductor.

  11. SPECIES - EVALUATING THERMODYNAMIC PROPERTIES, TRANSPORT PROPERTIES & EQUILIBRIUM CONSTANTS OF AN 11-SPECIES AIR MODEL

    NASA Technical Reports Server (NTRS)

    Thompson, R. A.

    1994-01-01

    Accurate numerical prediction of high-temperature, chemically reacting flowfields requires a knowledge of the physical properties and reaction kinetics for the species involved in the reacting gas mixture. Assuming an 11-species air model at temperatures below 30,000 degrees Kelvin, SPECIES (Computer Codes for the Evaluation of Thermodynamic Properties, Transport Properties, and Equilibrium Constants of an 11-Species Air Model) computes values for the species thermodynamic and transport properties, diffusion coefficients and collision cross sections for any combination of the eleven species, and reaction rates for the twenty reactions normally occurring. The species represented in the model are diatomic nitrogen, diatomic oxygen, atomic nitrogen, atomic oxygen, nitric oxide, ionized nitric oxide, the free electron, ionized atomic nitrogen, ionized atomic oxygen, ionized diatomic nitrogen, and ionized diatomic oxygen. Sixteen subroutines compute the following properties for both a single species, interaction pair, or reaction, and an array of all species, pairs, or reactions: species specific heat and static enthalpy, species viscosity, species frozen thermal conductivity, diffusion coefficient, collision cross section (OMEGA 1,1), collision cross section (OMEGA 2,2), collision cross section ratio, and equilibrium constant. The program uses least squares polynomial curve-fits of the most accurate data believed available to provide the requested values more quickly than is possible with table look-up methods. The subroutines for computing transport coefficients and collision cross sections use additional code to correct for any electron pressure when working with ionic species. SPECIES was developed on a SUN 3/280 computer running the SunOS 3.5 operating system. It is written in standard FORTRAN 77 for use on any machine, and requires roughly 92K memory. The standard distribution medium for SPECIES is a 5.25 inch 360K MS-DOS format diskette. The contents of the

  12. Confined, Oriented, and Electrically Anisotropic Graphene Wrinkles on Bacteria.

    PubMed

    Deng, Shikai; Gao, Enlai; Wang, Yanlei; Sen, Soumyo; Sreenivasan, Sreeprasad Theruvakkattil; Behura, Sanjay; Král, Petr; Xu, Zhiping; Berry, Vikas

    2016-09-27

    Curvature-induced dipole moment and orbital rehybridization in graphene wrinkles modify its electrical properties and induces transport anisotropy. Current wrinkling processes are based on contraction of the entire substrate and do not produce confined or directed wrinkles. Here we show that selective desiccation of a bacterium under impermeable and flexible graphene via a flap-valve operation produces axially aligned graphene wrinkles of wavelength 32.4-34.3 nm, consistent with modified Föppl-von Kármán mechanics (confinement ∼0.7 × 4 μm(2)). Further, an electrophoretically oriented bacterial device with confined wrinkles aligned with van der Pauw electrodes was fabricated and exhibited an anisotropic transport barrier (ΔE = 1.69 meV). Theoretical models were developed to describe the wrinkle formation mechanism. The results obtained show bio-induced production of confined, well-oriented, and electrically anisotropic graphene wrinkles, which can be applied in electronics, bioelectromechanics, and strain patterning. PMID:27391776

  13. Confined, Oriented, and Electrically Anisotropic Graphene Wrinkles on Bacteria.

    PubMed

    Deng, Shikai; Gao, Enlai; Wang, Yanlei; Sen, Soumyo; Sreenivasan, Sreeprasad Theruvakkattil; Behura, Sanjay; Král, Petr; Xu, Zhiping; Berry, Vikas

    2016-09-27

    Curvature-induced dipole moment and orbital rehybridization in graphene wrinkles modify its electrical properties and induces transport anisotropy. Current wrinkling processes are based on contraction of the entire substrate and do not produce confined or directed wrinkles. Here we show that selective desiccation of a bacterium under impermeable and flexible graphene via a flap-valve operation produces axially aligned graphene wrinkles of wavelength 32.4-34.3 nm, consistent with modified Föppl-von Kármán mechanics (confinement ∼0.7 × 4 μm(2)). Further, an electrophoretically oriented bacterial device with confined wrinkles aligned with van der Pauw electrodes was fabricated and exhibited an anisotropic transport barrier (ΔE = 1.69 meV). Theoretical models were developed to describe the wrinkle formation mechanism. The results obtained show bio-induced production of confined, well-oriented, and electrically anisotropic graphene wrinkles, which can be applied in electronics, bioelectromechanics, and strain patterning.

  14. Avalanche properties in a transport model based on critical-gradient fluctuation dynamics

    SciTech Connect

    Garcia, L.; Carreras, B.A.

    2005-09-15

    A simple one-dimensional transport model based on critical-gradient fluctuation dynamics is applied to describe some of the properties of plasma-turbulence-induced transport. This model combines avalanche-like transport with diffusion. The particle flux is self-regulated by the stability properties of the fluctuations. A high-gradient edge region emerges where transport dynamics is close to marginal stability. In steady state, the core remains at the subcritical gradient. The avalanches change from quasiperiodic events triggered mostly near the edge region to intermittent transport events depending on the noise level of the particle source.

  15. 26 CFR 49.4271-1 - Tax on transportation of property by air.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... transportation from Chicago to New York if the property is in the course of exportation, by continuous movement, by boat from New York to Europe and in due course is so exported. Delays caused by circumstances... 26 Internal Revenue 16 2010-04-01 2010-04-01 true Tax on transportation of property by air....

  16. The synthesis and transport properties of the complex salt /TMPD/ /TCNQ/2

    NASA Technical Reports Server (NTRS)

    Somoano, R.; Hadek, V.; Yen, S. P. S.; Rembaum, A.; Deck, R.

    1975-01-01

    The syntheses and transport properties of the complex salt /TMPD/ /TCNQ/2 are described. At high temperatures, the complex is a magnetic semiconductor with transport properties intermediate between those found in the highly conducting and poorly conducting TCNQ salts. The complex undergoes a transition below 50-60 K to a state exhibiting singlet-triplet behavior with weakly alternating exchange coupling.

  17. Computer program for calculation of complex chemical equilibrium compositions and applications. Supplement 1: Transport properties

    NASA Technical Reports Server (NTRS)

    Gordon, S.; Mcbride, B.; Zeleznik, F. J.

    1984-01-01

    An addition to the computer program of NASA SP-273 is given that permits transport property calculations for the gaseous phase. Approximate mixture formulas are used to obtain viscosity and frozen thermal conductivity. Reaction thermal conductivity is obtained by the same method as in NASA TN D-7056. Transport properties for 154 gaseous species were selected for use with the program.

  18. Transport properties of multicomponent thermal plasmas: Grad method versus Chapman-Enskog method

    SciTech Connect

    Porytsky, P.; Krivtsun, I.; Demchenko, V.; Reisgen, U.; Mokrov, O.; Zabirov, A.; Gorchakov, S.; Timofeev, A.; Uhrlandt, D.

    2013-02-15

    Transport properties (thermal conductivity, viscosity, and electrical conductivity) for multicomponent Ar-Fe thermal plasmas at atmospheric pressure have been determined by means of two different methods. The transport coefficients set based on Grad's method is compared with the data obtained when using the Chapman-Enskog's method. Results from both applied methods are in good agreement. It is shown that the Grad method is suitable for the determination of transport properties of the thermal plasmas.

  19. Evaluation of Baltic Sea transport properties using particle tracking

    NASA Astrophysics Data System (ADS)

    Dargahi, Bijan; Cvetkovic, Vladimir

    2014-05-01

    Particle tracking model (PTM) is an effective tool for quantifying transport properties of large water bodies such as the Baltic Sea. We have applied PTM to our fully calibrated and validated Baltic Sea 3D hydrodynamic model for a 10-years period (2000-9). One hundred particles were released at a constant rate during an initial 10-days period from all the Baltic Sea sub-basins, the major rivers, and the open boundary in the Arkona Basin. In each basin, the particles were released at two different depths corresponding to the deep water and middle water layers. The objectives of the PTM simulations were to analyse the intra-exchange processes between the Baltic Sea basins and to estimate the arrival times and the paths of particles released from the rivers. The novel contribution of this study is determining the paths and arrival times of deeper water masses rather than the surface masses. Advective and diffusive transport processes in the Bornholm and Arkona basins are both driven by the interacting flows of the northern basins of the Baltic Sea and the North Sea. Particles released from Arkona basin flows northwards along the Stople Channel. The Gotland basins are the major contributors to the exchange process in the Baltic Sea. We find high values of the advection ratio, indicative of a forced advective transport process. The Bay of Gdansk is probably the most vulnerable region in the Baltic Sea. This is despite the fact that the main exchanging basins are the Bornholm Sea and the Easter Gotland Basin. The main reason is the intensive supply of the particles from the northern basins that normally take about 3000 days to reach the Bay of Gdansk. The process maintains a high level of particle concentration (90%) along its coastlines even after the 10-years period. Comparing the particle paths in the Western and Eastern Gotland basins two interesting features were found. Particles travelled in all four directions in the former basin and the middle layer particles

  20. Effects of interlayer coupling on the magnetic and transport properties of superconducting multilayers and high-temperature superconductors

    SciTech Connect

    Gray, K.E.; Hettinger, J.D.; Kim, D.H.

    1994-06-01

    The effect of interlayer coupling on the transport properties and dissipation in a magnetic field is reviewed for superconducting multilayers including highly-anisotropic high-temperature superconductors (HTS). For the applied field parallel to the superconducting layers the absence of any Lorentz-force dependence of the dissipation leads to an explanation other than flux motion. This is consistent with a Josephson junction dissipation which dominates flux motion of the insulating regions between layers. However, in is seen to cross over from phase slips at Josephson junctions to depinning of vortices from the external field at high fields and temperatures. For fields perpendicular to the superconducting layers the much greater resistive broadening in HTS is due to dissipation by thermally-activated flux motion, consistent with a lack of intrinsic pinning. We show experimental evidence that the associated flux motion occurs as a result of a crossover from three dimensional (3D) vortex lines to 2D independent pancake-like vortices, residing in the Cu-O layers. This 3D to 2D crossover occurs after k{sub B}T exceeds the Josephson coupling energy.

  1. Decoupling Mechanical and Ion Transport Properties in Polymer Electrolyte Membranes

    NASA Astrophysics Data System (ADS)

    McIntosh, Lucas D.

    Polymer electrolytes are mixtures of a polar polymer and salt, in which the polymer replaces small molecule solvents and provides a dielectric medium so that ions can dissociate and migrate under the influence of an external electric field. Beginning in the 1970s, research in polymer electrolytes has been primarily motivated by their promise to advance electrochemical energy storage and conversion devices, such as lithium ion batteries, flexible organic solar cells, and anhydrous fuel cells. In particular, polymer electrolyte membranes (PEMs) can improve both safety and energy density by eliminating small molecule, volatile solvents and enabling an all-solid-state design of electrochemical cells. The outstanding challenge in the field of polymer electrolytes is to maximize ionic conductivity while simultaneously addressing orthogonal mechanical properties, such as modulus, fracture toughness, or high temperature creep resistance. The crux of the challenge is that flexible, polar polymers best-suited for polymer electrolytes (e.g., poly(ethylene oxide)) offer little in the way of mechanical robustness. Similarly, polymers typically associated with superior mechanical performance (e.g., poly(methyl methacrylate)) slow ion transport due to their glassy polymer matrix. The design strategy is therefore to employ structured electrolytes that exhibit distinct conducting and mechanically robust phases on length scales of tens of nanometers. This thesis reports a remarkably simple, yet versatile synthetic strategy---termed polymerization-induced phase separation, or PIPS---to prepare PEMs exhibiting an unprecedented combination of both high conductivity and high modulus. This performance is enabled by co-continuous, isotropic networks of poly(ethylene oxide)/ionic liquid and highly crosslinked polystyrene. A suite of in situ, time-resolved experiments were performed to investigate the mechanism by which this network morphology forms, and it appears to be tied to the

  2. Small-polaron transport and thermoelectric properties of the misfit-layer composite (BiSe)109TaSe2 / TaSe2

    NASA Astrophysics Data System (ADS)

    Kim, Jin-Hee; Song, Yoo Jang; Rhyee, Jong-Soo; Kim, Bong-Seo; Park, Su-Dong; Lee, Hyeung Jin; Shin, Jae-Wook

    2014-03-01

    We studied the thermoelectric properties of the composite of misfit-layered compounds (BiSe)109TaSe2 and TaSe2. The x-ray diffraction pattern on the cross-sectional plane of the sintered body shows a preferred orientation of the (00 l) direction for (BiSe)109TaSe2 / TaSe2 indicating anisotropic alignment during hot pressing. Because of the crystallographic alignment, the temperature-dependent electrical resistivity ρ (T) , Seebeck coefficient S (T) , and the thermal conductivity κ (T) exhibit in-plane and out-of-plane anisotropic transport behavior. The Seebeck coefficient is very low because of the coexistence of electron and hole mixing, as confirmed by the two-carrier model. The lattice thermal conductivity κLof the covalent bonding layer (in-plane) is lower than those of the layer with van der Waals bonding (out-of-plane) implying the existence of a charge density wave along the in-plane. We observed a sign anomaly of the positive Hall coefficient RH and negative Seebeck coefficient S. According to Holstein's small-polaron model, the sign anomaly may come from the odd number of small-polaron hopping sites.

  3. Speckle reducing anisotropic diffusion.

    PubMed

    Yu, Yongjian; Acton, Scott T

    2002-01-01

    This paper provides the derivation of speckle reducing anisotropic diffusion (SRAD), a diffusion method tailored to ultrasonic and radar imaging applications. SRAD is the edge-sensitive diffusion for speckled images, in the same way that conventional anisotropic diffusion is the edge-sensitive diffusion for images corrupted with additive noise. We first show that the Lee and Frost filters can be cast as partial differential equations, and then we derive SRAD by allowing edge-sensitive anisotropic diffusion within this context. Just as the Lee and Frost filters utilize the coefficient of variation in adaptive filtering, SRAD exploits the instantaneous coefficient of variation, which is shown to be a function of the local gradient magnitude and Laplacian operators. We validate the new algorithm using both synthetic and real linear scan ultrasonic imagery of the carotid artery. We also demonstrate the algorithm performance with real SAR data. The performance measures obtained by means of computer simulation of carotid artery images are compared with three existing speckle reduction schemes. In the presence of speckle noise, speckle reducing anisotropic diffusion excels over the traditional speckle removal filters and over the conventional anisotropic diffusion method in terms of mean preservation, variance reduction, and edge localization.

  4. Highly Anisotropic, Highly Transparent Wood Composites.

    PubMed

    Zhu, Mingwei; Song, Jianwei; Li, Tian; Gong, Amy; Wang, Yanbin; Dai, Jiaqi; Yao, Yonggang; Luo, Wei; Henderson, Doug; Hu, Liangbing

    2016-07-01

    For the first time, two types of highly anisotropic, highly transparent wood composites are demonstrated by taking advantage of the macro-structures in original wood. These wood composites are highly transparent with a total transmittance up to 90% but exhibit dramatically different optical and mechanical properties.

  5. Conformally flat polytropes for anisotropic matter

    NASA Astrophysics Data System (ADS)

    Herrera, L.; Di Prisco, A.; Barreto, W.; Ospino, J.

    2014-12-01

    We analyze in detail conformally flat spherically symmetric fluid distributions, satisfying a polytropic equation of state. Among the two possible families of relativistic polytropes, only one contains models which satisfy all the required physical conditions. The ensuing configurations are necessarily anisotropic and show interesting physical properties. Prospective applications of the presented models to the study of super-Chandrasekhar white dwarfs, are discussed.

  6. A Review of the Thermodynamic, Transport, and Chemical Reaction Rate Properties of High-temperature Air

    NASA Technical Reports Server (NTRS)

    Hansen, C Frederick; Heims, Steve P

    1958-01-01

    Thermodynamic and transport properties of high temperature air, and the reaction rates for the important chemical processes which occur in air, are reviewed. Semiempirical, analytic expressions are presented for thermodynamic and transport properties of air. Examples are given illustrating the use of these properties to evaluate (1) equilibrium conditions following shock waves, (2) stagnation region heat flux to a blunt high-speed body, and (3) some chemical relaxation lengths in stagnation region flow.

  7. Structural Properties of the Brazilian Air Transportation Network.

    PubMed

    Couto, Guilherme S; da Silva, Ana Paula Couto; Ruiz, Linnyer B; Benevenuto, Fabrício

    2015-09-01

    The air transportation network in a country has a great impact on the local, national and global economy. In this paper, we analyze the air transportation network in Brazil with complex network features to better understand its characteristics. In our analysis, we built networks composed either by national or by international flights. We also consider the network when both types of flights are put together. Interesting conclusions emerge from our analysis. For instance, Viracopos Airport (Campinas City) is the most central and connected airport on the national flights network. Any operational problem in this airport separates the Brazilian national network into six distinct subnetworks. Moreover, the Brazilian air transportation network exhibits small world characteristics and national connections network follows a power law distribution. Therefore, our analysis sheds light on the current Brazilian air transportation infrastructure, bringing a novel understanding that may help face the recent fast growth in the usage of the Brazilian transport network.

  8. Structural Properties of the Brazilian Air Transportation Network.

    PubMed

    Couto, Guilherme S; da Silva, Ana Paula Couto; Ruiz, Linnyer B; Benevenuto, Fabrício

    2015-09-01

    The air transportation network in a country has a great impact on the local, national and global economy. In this paper, we analyze the air transportation network in Brazil with complex network features to better understand its characteristics. In our analysis, we built networks composed either by national or by international flights. We also consider the network when both types of flights are put together. Interesting conclusions emerge from our analysis. For instance, Viracopos Airport (Campinas City) is the most central and connected airport on the national flights network. Any operational problem in this airport separates the Brazilian national network into six distinct subnetworks. Moreover, the Brazilian air transportation network exhibits small world characteristics and national connections network follows a power law distribution. Therefore, our analysis sheds light on the current Brazilian air transportation infrastructure, bringing a novel understanding that may help face the recent fast growth in the usage of the Brazilian transport network. PMID:26312421

  9. Characterization of anisotropic diffusion tensor of solute in tissue by video-FRAP imaging technique.

    PubMed

    Travascio, Francesco; Zhao, Weizhao; Gu, Wei Yong

    2009-04-01

    In this study, a new method for determination of an anisotropic diffusion tensor by a single fluorescence recovery after photobleaching (FRAP) experiment was developed. The method was based on two independent analyses of video-FRAP images: the fast Fourier transform and the Karhunen-Loève transform. Computer-simulated FRAP tests were used to evaluate the sensitivity of the method to experimental parameters, such as the initial size of the bleached spot, the choice of the frequencies used in the Fourier analysis, the orientation of the diffusion tensor, and experimental noise. The new method was also experimentally validated by determining the anisotropic diffusion tensor of fluorescein (332 Da) in bovine annulus fibrosus. The results obtained were in agreement with those reported in a previous study. Finally, the method was used to characterize fluorescein diffusion in bovine meniscus. Our findings indicate that fluorescein diffusion in bovine meniscus is anisotropic. This study provides a new tool for the determination of anisotropic diffusion tensor that could be used to investigate the correlation between the structure of biological tissues and their transport properties. PMID:19224367

  10. Mixture of Anisotropic Fluids

    NASA Astrophysics Data System (ADS)

    Florkowski, W.; Maj, R.

    The recently introduced approach describing coupled quark and gluon anisotropic fluids is generalized to include explicitly the transitions between quarks and gluons. We study the effects of such processes on the thermalization rate of anisotropic systems. We find that the quark-gluon transitions may enhance the overall thermalization rate in the cases where the initial momentum anisotropies correspond to mixed oblate-prolate or prolate configurations. On the other hand, no effect on the thermalization rate is found in the case of oblate configurations. The observed regularities are connected with the late-time behavior of the analyzed systems which is described either by the exponential decay or the power law.

  11. Properties of the stochastic energization-relaxation channel model for vectorial ion transport.

    PubMed Central

    Muneyuki, E; Fukami, T A

    2000-01-01

    A model for the primary active transport by an ion pump protein is proposed. The model, the "energization-relaxation channel model," describes an ion pump as a multiion channel that undergoes stochastic transitions between two conformational states by external energy supply. When the potential profile along ion transport pathway is asymmetrical, a net ion flux is induced by the transitions. In this model, the coupling of the conformational change and ion transport is stochastic and loose. The model qualitatively reproduces known properties of active transport such as the effect of ion concentration gradient and membrane potential on the rate of transport and the inhibition of ion transport at high ion concentration. We further examined the effect of various parameters on the ion transport properties of this model. The efficiency of the coupling was almost 100% under some conditions. PMID:10692306

  12. Gravitational stresses in anisotropic rock masses

    USGS Publications Warehouse

    Amadei, B.; Savage, W.Z.; Swolfs, H.S.

    1987-01-01

    This paper presents closed-form solutions for the stress field induced by gravity in anisotropic rock masses. These rocks are assumed to be laterally restrained and are modelled as a homogeneous, orthotropic or transversely isotropic, linearly elastic material. The analysis, constrained by the thermodynamic requirement that strain energy be positive definite, gives the following important result: inclusion of anisotropy broadens the range of permissible values of gravity-induced horizontal stresses. In fact, for some ranges of anisotropic rock properties, it is thermodynamically admissible for gravity-induced horizontal stresses to exceed the vertical stress component; this is not possible for the classical isotropic solution. Specific examples are presented to explore the nature of the gravity-induced stress field in anisotropic rocks and its dependence on the type, degree and orientation of anisotropy with respect to the horizontal ground surface. ?? 1987.

  13. Oscillatory Behavior in the Transport Properties of Transition Metal Superlattices

    NASA Astrophysics Data System (ADS)

    Kim, Sihong

    Oscillations in the low temperature electrical resistivity, as a function of the individual layer thickness and/or superlattice period, have been recently observed in Co/Ni superlattices. This was believed to be a superlattice effect because the oscillations disappeared with decreasing number of bilayers. In this thesis, systematic studies have been made to understand the origin of this unusual behavior in the electrical transport of Co/Ni superlattices. First, Co/Ni was investigated extensively because Co and Ni have very similar material properties. They are both ferromagnetic, have fcc lattices in thin film form, and have almost identical electronic band structure. Superlattice films were grown by molecular beam epitaxy (MBE) and these structure was characterized by reflection high energy electron diffraction (RHEED), low energy electron diffraction (LEED), Auger electron spectroscopy (AES), and X-ray diffraction (XRD). The measured residual resistivity, usually caused by impurity atoms, lattice defects, interfaces, or grain boundaries, is very small in Co/Ni superlattice films. Due to this small background resistivity, unusual intrinsic resistivity oscillations have been clearly observed in these films. The oscillation amplitude does not change with temperature. However, a small amount of random fluctuation in the superlattice period, artificially introduced during film growth, significantly increases the oscillation amplitude. The resistivity at a minimum rm( rho_{min}) and maximum rm(rho_{max}) of oscillations was also measured as a function of film thickness in order to study the evolution of this effect. rho_{min} increases monotonically with decreasing thickness due to surface scattering, which is well described by the quantum size effect theory. However, rho_{max} becomes nonmonotonic by proper choice of superlattice period, indicating the presence of an additional scattering mechanism associated with the superlattice structure. Similar resistivity

  14. Transport and optical properties of low-dimensional complex systems

    NASA Astrophysics Data System (ADS)

    Iurov, Andrii

    Over the last five years of my research work, I, my research was mainly concerned with certain crucial tunneling, transport and optical properties of novel low-dimensional graphitic and carbon-based materials as well as topological insulators. Both single-electron and many-body problems were addressed. We investigated the Dirac electrons transmission through a potential barrier in the presence of circularly polarized light. An anomalous photon-assisted enhanced transmission is predicted and explained in a comparison with the well-known Klein paradox. It is demonstrated that the perfect transmission for nearly-head-on collision in an infinite graphene is suppressed in gapped dressed states of electrons, which is further accompanied by shift of peaks as a function of the incident angle away from the head-on collision. We calculate the energy bands for graphene monolayers when electrons move through a periodic electrostatic potential in the presence of a uniform perpendicular magnetic field. We clearly demonstrate the quantum fractal nature of the energy bands at reasonably low magnetic fields. We present results for the energy bands as functions of both wave number and magnetic flux through the unit cells of the resulting moiŕe superlattice. This feature is also observed at extremely high magnetic fields. We have discovered a novel feature in the plasmon excitations for a pair of Coulomb-coupled non-concentric spherical two-dimensional electron gases (S2DEGs). Our results show that the plasmon excitations for such pairs depend on the orientation with respect to the external electromagnetic probe field. The origin of this anisotropy of the inter-sphere Coulomb interaction is due to the directional asymmetry of the electrostatic coupling of electrons in excited states which depend on both the angular momentum quantum number L and its projection M on the axis of quantization taken as the probe E-field direction. Such an effect from the plasmon spatial correlation is

  15. Quasiparticle band structures and thermoelectric transport properties of p-type SnSe

    SciTech Connect

    Shi, Guangsha; Kioupakis, Emmanouil

    2015-02-14

    We used density functional and many-body perturbation theory to calculate the quasiparticle band structures and electronic transport parameters of p-type SnSe both for the low-temperature Pnma and high-temperature Cmcm phases. The Pnma phase has an indirect band gap of 0.829 eV, while the Cmcm has a direct band gap of 0.464 eV. Both phases exhibit multiple local band extrema within an energy range comparable to the thermal energy of carriers from the global extrema. We calculated the electronic transport coefficients as a function of doping concentration and temperature for single-crystal and polycrystalline materials to understand the previous experimental measurements. The electronic transport coefficients are highly anisotropic and are strongly affected by bipolar transport effects at high temperature. Our results indicate that SnSe exhibits optimal thermoelectric performance at high temperature when doped in the 10{sup 19}–10{sup 20 }cm{sup −3} range.

  16. Thermodynamic and transport properties of air/water mixtures

    NASA Technical Reports Server (NTRS)

    Fessler, T. E.

    1981-01-01

    Subroutine WETAIR calculates properties at nearly 1,500 K and 4,500 atmospheres. Necessary inputs are assigned values of combinations of density, pressure, temperature, and entropy. Interpolation of property tables obtains dry air and water (steam) properties, and simple mixing laws calculate properties of air/water mixture. WETAIR is used to test gas turbine engines and components operating in relatively humid air. Program is written in SFTRAN and FORTRAN.

  17. Equations of state and transport properties of mixtures in the warm dense regime

    SciTech Connect

    Hou, Yong; Dai, Jiayu; Kang, Dongdong; Ma, Wen; Yuan, Jianmin

    2015-02-15

    We have performed average-atom molecular dynamics to simulate the CH and LiH mixtures in the warm dense regime, and obtained equations of state and the ionic transport properties. The electronic structures are calculated by using the modified average-atom model, which have included the broadening of energy levels, and the ion-ion pair potentials of mixtures are constructed based on the temperature-dependent density functional theory. The ionic transport properties, such as ionic diffusion and shear viscosity, are obtained through the ionic velocity correlation functions. The equations of state and transport properties for carbon, hydrogen and lithium, hydrogen mixtures in a wide region of density and temperature are calculated. Through our computing the average ionization degree, average ion-sphere diameter and transition properties in the mixture, it is shown that transport properties depend not only on the ionic mass but also on the average ionization degree.

  18. Electrolytes: transport properties and non-equilibrium thermodynamics

    SciTech Connect

    Miller, D.G.

    1980-12-01

    This paper presents a review on the application of non-equilibrium thermodynamics to transport in electrolyte solutions, and some recent experimental work and results for mutual diffusion in electrolyte solutions.

  19. Properties of yeast Saccharomyces cerevisiae plasma membrane dicarboxylate transporter.

    PubMed

    Aliverdieva, D A; Mamaev, D V; Bondarenko, D I; Sholtz, K F

    2006-10-01

    Transport of succinate into Saccharomyces cerevisiae cells was determined using the endogenous coupled mitochondrial succinate oxidase system. The dependence of succinate oxidation rate on the substrate concentration was a curve with saturation. At neutral pH the K(m) value of the mitochondrial "succinate oxidase" was fivefold less than that of the cellular "succinate oxidase". O-Palmitoyl-L-malate, not penetrating across the plasma membrane, completely inhibited cell respiration in the presence of succinate but not glucose or pyruvate. The linear inhibition in Dixon plots indicates that the rate of succinate oxidation is limited by its transport across the plasmalemma. O-Palmitoyl-L-malate and L-malate were competitive inhibitors (the K(i) values were 6.6 +/- 1.3 microM and 17.5 +/- 1.1 mM, respectively). The rate of succinate transport was also competitively inhibited by the malonate derivative 2-undecyl malonate (K(i) = 7.8 +/- 1.2 microM) but not phosphate. Succinate transport across the plasma membrane of S. cerevisiae is not coupled with proton transport, but sodium ions are necessary. The plasma membrane of S. cerevisiae is established to have a carrier catalyzing the transport of dicarboxylates (succinate and possibly L-malate and malonate).

  20. Analysis Of Transport Properties of Mechanically Alloyed Lead Tin Telluride

    NASA Astrophysics Data System (ADS)

    Krishna, Rajalakshmi

    these inclusions would not be less than that expected in alloys without these inclusions while the portion of the thermal conductivity that is not due to charge carriers (the lattice thermal conductivity) would be less than what would be expected from alloys that do not have these inclusions. Furthermore, it would be possible to approximate the observed changes in the electrical and thermal transport properties using existing physical models for the scattering of electrons and phonons by small inclusions. The approach taken to investigate this hypothesis was to first experimentally characterize the mobile carrier concentration at room temperature along with the extent and type of secondary phase inclusions present in a series of three mechanically alloyed Pb1-xSnxTe alloys with different Sn content. Second, the physically based computational model was developed. This model was used to determine what the electronic conductivity, Seebeck coefficient, total thermal conductivity, and the portion of the thermal conductivity not due to mobile charge carriers would be in these particular Pb1-x SnxTe alloys if there were to be no secondary phase inclusions. Third, the electronic conductivity, Seebeck coecient and total thermal conductivity was experimentally measured for these three alloys with inclusions present at elevated temperatures. The model predictions for electrical conductivity and Seebeck coefficient were directly compared to the experimental elevated temperature electrical transport measurements. The computational model was then used to extract the lattice thermal conductivity from the experimentally measured total thermal conductivity. This lattice thermal conductivity was then compared to what would be expected from the alloys in the absence of secondary phase inclusions. Secondary phase inclusions were determined by X-ray diraction analysis to be present in all three alloys to a varying extent. The inclusions were found not to significantly degrade electrical

  1. Enhancement of non-resonant dielectric cloaks using anisotropic composites

    NASA Astrophysics Data System (ADS)

    Takezawa, Akihiro; Kitamura, Mitsuru

    2014-01-01

    Cloaking techniques conceal objects by controlling the flow of electromagnetic waves to minimize scattering. Herein, the effectiveness of homogenized anisotropic materials in non-resonant dielectric multilayer cloaking is studied. Because existing multilayer cloaking by isotropic materials can be regarded as homogenous anisotropic cloaking from a macroscopic view, anisotropic materials can be efficiently designed through optimization of their physical properties. Anisotropic properties can be realized in two-phase composites if the physical properties of the material are within appropriate bounds. The optimized anisotropic physical properties are identified by a numerical optimization technique based on a full-wave simulation using the finite element method. The cloaking performance measured by the total scattering width is improved by about 2.8% and 25% in eight- and three-layer cylindrical cloaking materials, respectively, compared with multilayer cloaking by isotropic materials. In all cloaking examples, the optimized microstructures of the two-phase composites are identified as the simple lamination of two materials, which maximizes the anisotropy. The same performance as published for eight-layer cloaking by isotropic materials is achieved by three-layer cloaking using the anisotropic material. Cloaking with an approximately 50% reduction of total scattering width is achieved even in an octagonal object. Since the cloaking effect can be realized using just a few layers of the laminated anisotropic dielectric composite, this may have an advantage in the mass production of cloaking devices.

  2. First-principles calculations of thermal, electrical, and thermoelectric transport properties of semiconductors

    NASA Astrophysics Data System (ADS)

    Zhou, Jiawei; Liao, Bolin; Chen, Gang

    2016-04-01

    The transport properties of semiconductors are key to the performance of many solid-state devices (transistors, data storage, thermoelectric cooling and power generation devices, etc). An understanding of the transport details can lead to material designs with better performances. In recent years simulation tools based on first-principles calculations have been greatly improved, being able to obtain the fundamental ground-state properties of materials (such as band structure and phonon dispersion) accurately. Accordingly, methods have been developed to calculate the transport properties based on an ab initio approach. In this review we focus on the thermal, electrical, and thermoelectric transport properties of semiconductors, which represent the basic transport characteristics of the two degrees of freedom in solids—electronic and lattice degrees of freedom. Starting from the coupled electron-phonon Boltzmann transport equations, we illustrate different scattering mechanisms that change the transport features and review the first-principles approaches that solve the transport equations. We then present the first-principles results on the thermal and electrical transport properties of semiconductors. The discussions are grouped based on different scattering mechanisms including phonon-phonon scattering, phonon scattering by equilibrium electrons, carrier scattering by equilibrium phonons, carrier scattering by polar optical phonons, scatterings due to impurities, alloying and doping, and the phonon drag effect. We show how the first-principles methods allow one to investigate transport properties with unprecedented detail and also offer new insights into the electron and phonon transport. The current status of the simulation is mentioned when appropriate and some of the future directions are also discussed.

  3. Anisotropic eddy viscosity models

    NASA Technical Reports Server (NTRS)

    Carati, D.; Cabot, W.

    1996-01-01

    A general discussion on the structure of the eddy viscosity tensor in anisotropic flows is presented. The systematic use of tensor symmetries and flow symmetries is shown to reduce drastically the number of independent parameters needed to describe the rank 4 eddy viscosity tensor. The possibility of using Onsager symmetries for simplifying further the eddy viscosity is discussed explicitly for the axisymmetric geometry.

  4. Analysis of community properties and node properties to understand the structure of the bus transport network

    NASA Astrophysics Data System (ADS)

    Sun, Yeran; Mburu, Lucy; Wang, Shaohua

    2016-05-01

    Akin to most infrastructures, intraurban bus networks are large and highly complex. Understanding the composition of such networks requires an intricate decomposition of the network into modules, taking into account the manner in which network links are distributed among the nodes. There exists for each set of highly interlinked nodes little connectivity with the next set of highly interlinked nodes. This inherent property of nodes makes community detection a popular approach for analyzing the structure of complex networks. In this study, we attempt to understand the structure of the intraurban bus network of Ireland's capital city, Dublin in a two-step approach. We first analyze the modular structure of the network by identifying potential communities. Secondly, we assess the prominence of each network node by examining the module-based topological properties of the nodes. Results of this empirical study reveal a clear pattern of independent communities, indicating thus, an implicit multi-community structure of the intraurban bus network. Examination of the geographic characteristics of the identified communities shows a degree of socio-economic divisions of the Dublin city. Furthermore, a large majority of the important nodes (vital transportation hubs) are located at the city center, implying that most of the bus lines in Dublin city tend to intersect the city's core.

  5. Saving Moore’s Law Down To 1 nm Channels With Anisotropic Effective Mass

    NASA Astrophysics Data System (ADS)

    Ilatikhameneh, Hesameddin; Ameen, Tarek; Novakovic, Bozidar; Tan, Yaohua; Klimeck, Gerhard; Rahman, Rajib

    2016-08-01

    Scaling transistors’ dimensions has been the thrust for the semiconductor industry in the last four decades. However, scaling channel lengths beyond 10 nm has become exceptionally challenging due to the direct tunneling between source and drain which degrades gate control, switching functionality, and worsens power dissipation. Fortunately, the emergence of novel classes of materials with exotic properties in recent times has opened up new avenues in device design. Here, we show that by using channel materials with an anisotropic effective mass, the channel can be scaled down to 1 nm and still provide an excellent switching performance in phosphorene nanoribbon MOSFETs. To solve power consumption challenge besides dimension scaling in conventional transistors, a novel tunnel transistor is proposed which takes advantage of anisotropic mass in both ON- and OFF-state of the operation. Full-band atomistic quantum transport simulations of phosphorene nanoribbon MOSFETs and TFETs based on the new design have been performed as a proof.

  6. Saving Moore's Law Down To 1 nm Channels With Anisotropic Effective Mass.

    PubMed

    Ilatikhameneh, Hesameddin; Ameen, Tarek; Novakovic, Bozidar; Tan, Yaohua; Klimeck, Gerhard; Rahman, Rajib

    2016-01-01

    Scaling transistors' dimensions has been the thrust for the semiconductor industry in the last four decades. However, scaling channel lengths beyond 10 nm has become exceptionally challenging due to the direct tunneling between source and drain which degrades gate control, switching functionality, and worsens power dissipation. Fortunately, the emergence of novel classes of materials with exotic properties in recent times has opened up new avenues in device design. Here, we show that by using channel materials with an anisotropic effective mass, the channel can be scaled down to 1 nm and still provide an excellent switching performance in phosphorene nanoribbon MOSFETs. To solve power consumption challenge besides dimension scaling in conventional transistors, a novel tunnel transistor is proposed which takes advantage of anisotropic mass in both ON- and OFF-state of the operation. Full-band atomistic quantum transport simulations of phosphorene nanoribbon MOSFETs and TFETs based on the new design have been performed as a proof.

  7. Anisotropic epitaxial ZnO/CdO core/shell heterostructure nanorods

    PubMed Central

    2012-01-01

    Various surface structures and polarities of one-dimensional nanostructures offer additional control in synthesizing heterostructures suitable for optoelectronic and electronic applications. In this work, we report synthesis and characterization of ZnO-CdO nanorod-based heterostructures grown on a-plane sapphire. The heterojunction formed on the sidewall surface of the nanorod shows that wurtzite ZnO {1010} planes are interfaced with rocksalt CdO {100}. This is evidently different from the heterojunction formed on the nanorod top surface, where a ZnO (0001) top plane is interfaced with a CdO (111) plane. Such anisotropic heterostructures are determined by different surface structures of the nanorods and their polarities. Revelation of such anisotropic heterojunctions will provide a clue for understanding charge transport properties in electronic and optoelectronic nanodevices. PMID:23151180

  8. Evidence for anisotropic dielectric properties of monoclinic hafnia using valence electron energy-loss spectroscopy in high-resolution transmission electron microscopy and ab initio time-dependent density-functional theory

    SciTech Connect

    Guedj, C.; Hung, L.; Sottile, F.; Zobelli, A.; Blaise, P.; Olevano, V.

    2014-12-01

    The effect of nanocrystal orientation on the energy loss spectra of monoclinic hafnia (m-HfO{sub 2}) is measured by high resolution transmission electron microscopy (HRTEM) and valence energy loss spectroscopy (VEELS) on high quality samples. For the same momentum-transfer directions, the dielectric properties are also calculated ab initio by time-dependent density-functional theory (TDDFT). Experiments and simulations evidence anisotropy in the dielectric properties of m-HfO{sub 2}, most notably with the direction-dependent oscillator strength of the main bulk plasmon. The anisotropic nature of m-HfO{sub 2} may contribute to the differences among VEELS spectra reported in literature. The good agreement between the complex dielectric permittivity extracted from VEELS with nanometer spatial resolution, TDDFT modeling, and past literature demonstrates that the present HRTEM-VEELS device-oriented methodology is a possible solution to the difficult nanocharacterization challenges given in the International Technology Roadmap for Semiconductors.

  9. Transport in Halobacterium Halobium: Light-Induced Cation-Gradients, Amino Acid Transport Kinetics, and Properties of Transport Carriers

    NASA Technical Reports Server (NTRS)

    Lanyi, Janos K.

    1977-01-01

    Cell envelope vesicles prepared from H. halobium contain bacteriorhodopsin and upon illumination protons are ejected. Coupled to the proton motive force is the efflux of Na(+). Measurements of Na-22 flux, exterior pH change, and membrane potential, Delta(psi) (with the dye 3,3'-dipentyloxadicarbocyanine) indicate that the means of Na(+) transport is sodium/proton exchange. The kinetics of the pH changes and other evidence suggests that the antiport is electrogenic (H(+)/Na(++ greater than 1). The resulting large chemical gradient for Na(+) (outside much greater than inside), as well as the membrane potential, will drive the transport of 18 amino acids. The I9th, glutamate, is unique in that its accumulation is indifferent to Delta(psi): this amino acid is transported only when a chemical gradient for Na(+) is present. Thus, when more and more NaCl is included in the vesicles glutamate transport proceeds with longer and longer lags. After illumination the gradient of H+() collapses within 1 min, while the large Na(+) gradient and glutamate transporting activity persists for 10- 15 min, indicating that proton motive force is not necessary for transport. A chemical gradient of Na(+), arranged by suspending vesicles loaded with KCl in NaCl, drives glutamate transport in the dark without other sources of energy, with V(sub max) and K(sub m) comparable to light-induced transport. These and other lines of evidence suggest that the transport of glutamate is facilitated by symport with Na(+), in an electrically neutral fashion, so that only the chemical component of the Na(+) gradient is a driving force.

  10. Functional properties of ion channels and transporters in tumour vascularization

    PubMed Central

    Fiorio Pla, Alessandra; Munaron, Luca

    2014-01-01

    Vascularization is crucial for solid tumour growth and invasion, providing metabolic support and sustaining metastatic dissemination. It is now accepted that ion channels and transporters play a significant role in driving the cancer growth at all stages. They may represent novel therapeutic, diagnostic and prognostic targets for anti-cancer therapies. On the other hand, although the expression and role of ion channels and transporters in the vascular endothelium is well recognized and subject of recent reviews, only recently has their involvement in tumour vascularization been recognized. Here, we review the current literature on ion channels and transporters directly involved in the angiogenic process. Particular interest will be focused on tumour angiogenesis in vivo as well as in the different steps that drive this process in vitro, such as endothelial cell proliferation, migration, adhesion and tubulogenesis. Moreover, we compare the ‘transportome’ system of tumour vascular network with the physiological one. PMID:24493751

  11. Transport properties of novel molybdenum bronze oxide materials

    NASA Astrophysics Data System (ADS)

    Hagmann, Joseph; Le, Son; Schneemeyer, Lynn; Olsen, Patti; Siegrist, Theo; Richter, Curt; Seiler, David

    2015-03-01

    Reduced ternary molybdenum oxides, or bronzes, offer an attractive materials platform to study a wide variety of remarkable physical phenomena, including charge density waves and superconductivity, in a system with highly varied structural chemistry. Interesting electronic behaviors in these materials arise from the strong hybridization of the 4d states of high-valent Mo with O p orbitals (conditions amenable to itinerancy) and reduced dimensionality arising from ordered O vacancies. This study aims to demonstrate the transport phenomena in a series of novel molybdenum bronze materials, including the new electrochemically-grown molybdenum bronzes, K3Li3Mo15O47, and the rare earth molybdenum bronze, HoMo16O44, and relate these behaviors to their experimentally-characterized structures. Dependence of the transport behavior on numerous experimental parameters, including temperature, magnetic field, drive voltage and drive current, and gate voltage, is presented to fully reveal charge carrier transport in these materials.

  12. The spin-dependent transport properties of zigzag α-graphyne nanoribbons and new device design

    NASA Astrophysics Data System (ADS)

    Ni, Yun; Wang, Xia; Tao, Wei; Zhu, Si-Cong; Yao, Kai-Lun

    2016-05-01

    By performing first-principle quantum transport calculations, we studied the electronic and transport properties of zigzag α-graphyne nanoribbons in different magnetic configurations. We designed the device based on zigzag α-graphyne nanoribbon and studied the spin-dependent transport properties, whose current-voltage curves show obvious spin-polarization and conductance plateaus. The interesting transport behaviours can be explained by the transport spectra under different magnetic configurations, which basically depends on the symmetry matching of the electrodes’ bandstructures. Simultaneously, spin Seebeck effect is also found in the device. Thus, according to the transport behaviours, zigzag α-graphyne nanoribbons can be used as a dual spin filter diode, a molecule signal converter and a spin caloritronics device, which indicates that α-graphyne is a promising candidate for the future application in spintronics.

  13. The spin-dependent transport properties of zigzag α-graphyne nanoribbons and new device design.

    PubMed

    Ni, Yun; Wang, Xia; Tao, Wei; Zhu, Si-Cong; Yao, Kai-Lun

    2016-01-01

    By performing first-principle quantum transport calculations, we studied the electronic and transport properties of zigzag α-graphyne nanoribbons in different magnetic configurations. We designed the device based on zigzag α-graphyne nanoribbon and studied the spin-dependent transport properties, whose current-voltage curves show obvious spin-polarization and conductance plateaus. The interesting transport behaviours can be explained by the transport spectra under different magnetic configurations, which basically depends on the symmetry matching of the electrodes' bandstructures. Simultaneously, spin Seebeck effect is also found in the device. Thus, according to the transport behaviours, zigzag α-graphyne nanoribbons can be used as a dual spin filter diode, a molecule signal converter and a spin caloritronics device, which indicates that α-graphyne is a promising candidate for the future application in spintronics. PMID:27180808

  14. The spin-dependent transport properties of zigzag α-graphyne nanoribbons and new device design

    PubMed Central

    Ni, Yun; Wang, Xia; Tao, Wei; Zhu, Si-Cong; Yao, Kai-Lun

    2016-01-01

    By performing first-principle quantum transport calculations, we studied the electronic and transport properties of zigzag α-graphyne nanoribbons in different magnetic configurations. We designed the device based on zigzag α-graphyne nanoribbon and studied the spin-dependent transport properties, whose current-voltage curves show obvious spin-polarization and conductance plateaus. The interesting transport behaviours can be explained by the transport spectra under different magnetic configurations, which basically depends on the symmetry matching of the electrodes’ bandstructures. Simultaneously, spin Seebeck effect is also found in the device. Thus, according to the transport behaviours, zigzag α-graphyne nanoribbons can be used as a dual spin filter diode, a molecule signal converter and a spin caloritronics device, which indicates that α-graphyne is a promising candidate for the future application in spintronics. PMID:27180808

  15. Spin superfluidity in the anisotropic XY model in the triangular lattice

    NASA Astrophysics Data System (ADS)

    Lima, L. S.

    2016-07-01

    We use the SU(3) Schwinger's boson theory to study the spin transport properties in the two-dimensional anisotropic frustrated Heisenberg model in the triangular lattice at T=0. We have investigated the behavior of the spin conductivity for this model which presents an single-ion anisotropy. We study the spin transport in the Bose-Einstein condensation regime where we have that the tz bosons are condensed and the following condition is valid: = < tz† > = t . Our results show a metallic spin transport for ω > 0 and a superfluid spin transport in the limit of DC conductivity, ω → 0 , where σ(ω) tends to infinity in this limit of ω.

  16. Spin conductivity of the two-dimensional anisotropic frustrated Heisenberg model in the honeycomb lattice

    NASA Astrophysics Data System (ADS)

    Lima, L. S.

    2016-07-01

    We use the SU(3) Schwinger's boson theory to study the spin transport properties of the two-dimensional anisotropic frustrated Heisenberg model in a honeycomb lattice at T=0. We have investigated the behavior of the spin conductivity for this model which presents a single-ion anisotropy and J1 and J2 exchange interactions. We study the spin transport in the Bose-Einstein condensation regime where we have that the tz bosons are condensed and the following condition is valid: = < tz† > = t. Our results show a metallic spin transport for ω > 0 and a superconductor spin transport in the limit of DC conductivity, ω → 0, where σ(ω) tends to infinity in this limit of ω.

  17. Kondo effect goes anisotropic in vanadate oxide superlattices

    NASA Astrophysics Data System (ADS)

    Rotella, H.; Pautrat, A.; Copie, O.; Boullay, P.; David, A.; Mercey, B.; Morales, M.; Prellier, W.

    2015-11-01

    We study the transport properties in SrVO3/LaVO3 (SVO/LVO) superlattices deposited on SrTiO3 (STO) substrates. We show that the electronic conduction occurs in the metallic LVO layers with a galvanomagnetism typical of a 2D Fermi surface. In addition, a Kondo-like component appears in both the thermal variation of resistivity and the magnetoresistance. Surprisingly, in this system where the STO interface does not contribute to the measured conduction, the Kondo correction is strongly anisotropic. We show that the growth temperature allows a direct control of this contribution. Finally, the key role of vanadium mixed valency stabilized by oxygen vacancies is enlightened.

  18. A generalized anisotropic deformation formulation for geomaterials

    NASA Astrophysics Data System (ADS)

    Lei, Z.; Rougier, Esteban; Knight, E. E.; Munjiza, A.; Viswanathan, H.

    2016-04-01

    In this paper, the combined finite-discrete element method (FDEM) has been applied to analyze the deformation of anisotropic geomaterials. In the most general case geomaterials are both non-homogeneous and non-isotropic. With the aim of addressing anisotropic material problems, improved 2D FDEM formulations have been developed. These formulations feature the unified hypo-hyper elastic approach combined with a multiplicative decomposition-based selective integration for volumetric and shear deformation modes. This approach is significantly different from the co-rotational formulations typically encountered in finite element codes. Unlike the co-rotational formulation, the multiplicative decomposition-based formulation naturally decomposes deformation into translation, rotation, plastic stretches, elastic stretches, volumetric stretches, shear stretches, etc. This approach can be implemented for a whole family of finite elements from solids to shells and membranes. This novel 2D FDEM based material formulation was designed in such a way that the anisotropic properties of the solid can be specified in a cell by cell basis, therefore enabling the user to seed these anisotropic properties following any type of spatial variation, for example, following a curvilinear path. In addition, due to the selective integration, there are no problems with volumetric or shear locking with any type of finite element employed.

  19. Walker Diffusion Method for Calculation of Transport Properties of Finite Composite Systems

    SciTech Connect

    Van Siclen, Clinton D

    2002-01-01

    A heterogeneous medium may be represented by a scalar field of local transport coefficients (e.g., conductivity) or by a “resistor network” derived from that scalar field. In either case the effective (macroscopic) and local (microscopic) transport properties may be calculated by the walker diffusion method. Some sample calculations for disordered systems are presented to demonstrate the method.

  20. Transport Properties of the Dust Components in Weakly Ionized Plasma

    SciTech Connect

    Vaulina, O. S.; Adamovich, X. G.; Petrov, O. F.; Fortov, V. E.

    2008-09-07

    The experimental study of transport processes are presented for the dusty plasma in radio-frequency (RF-) capacitive discharge. Validity of the Langevin and Green-Kubo equations for the description of dynamics of dusty grains is verified. Experimental examination of the Einstein-Stokes relation between the viscosity and diffusion constants is carried out.

  1. ELECTRONIC AND TRANSPORT PROPERTIES OF THERMOELECTRIC Ru2Si3

    NASA Astrophysics Data System (ADS)

    Singh, David J.; Parker, David

    2013-10-01

    We report calculations of the doping and temperature dependent thermopower of Ru2Si3 based on Boltzmann transport theory and the first principles electronic structure. We find that the performance reported to date can be significantly improved by optimization of the doping level and that ultimately n-type should have higher ZT than p-type.

  2. Monte Carlo Simulations on the Thermoelectric Transport Properties of Width-Modulated Nanowires

    NASA Astrophysics Data System (ADS)

    Zianni, X.

    2016-03-01

    We performed Monte Carlo simulations on the electron and phonon transport properties of Si nanowires with constant widths and of nanowires modulated by a constriction. We discuss and compare the transport properties and the thermoelectric efficiency in the nanowires. An overall figure of merit ( ZT) enhancement is predicted compared to the corresponding non-modulated nanowires. The ZT enhancement in thick, modulated nanowires has been found comparable to that in thin, non-modulated nanowires.

  3. Crystallographic study of a MATE transporter presents a difficult case in structure determination with low-resolution, anisotropic data and crystal twinning.

    PubMed

    Symersky, Jindrich; Guo, Yi; Wang, Jimin; Lu, Min

    2015-11-01

    NorM from Neisseria gonorrhoeae (NorM-NG) belongs to the multidrug and toxic compound extrusion (MATE) family of membrane-transport proteins, which can extrude cytotoxic chemicals across cell membranes and confer multidrug resistance. Here, the structure determination of NorM-NG is described, which had been hampered by low resolution (∼ 4 Å), data anisotropy and pseudo-merohedral twinning. The crystal structure was solved using molecular replacement and was corroborated by conducting a difference Fourier analysis. The NorM-NG structure displays an extracellular-facing conformation, similar to that of NorM-NG bound to a crystallization chaperone. The approaches taken to determine the NorM-NG structure and the lessons learned from this study are discussed, which may be useful for analyzing X-ray diffraction data with similar shortcomings.

  4. Determination of neutron flux distribution by using ANISN, a one-dimensional discrete S sub n ordinates transport code with anisotropic scattering

    NASA Technical Reports Server (NTRS)

    Ghorai, S. K.

    1983-01-01

    The purpose of this project was to use a one-dimensional discrete coordinates transport code called ANISN in order to determine the energy-angle-spatial distribution of neutrons in a 6-feet cube rock box which houses a D-T neutron generator at its center. The project was two-fold. The first phase of the project involved adaptation of the ANISN code written for an IBM 360/75/91 computer to the UNIVAC system at JSC. The second phase of the project was to use the code with proper geometry, source function and rock material composition in order to determine the neutron flux distribution around the rock box when a 14.1 MeV neutron generator placed at its center is activated.

  5. Autofocus imaging: Experimental results in an anisotropic austenitic weld

    NASA Astrophysics Data System (ADS)

    Zhang, J.; Drinkwater, B. W.; Wilcox, P. D.; Hunter, A.

    2012-05-01

    The quality of an ultrasonic array image, especially for anisotropic material, depends on accurate information about acoustic properties. Inaccuracy of acoustic properties causes image degradation, e.g., blurring, errors in locating of reflectors and introduction of artifacts. In this paper, for an anisotropic austenitic steel weld, an autofocus imaging technique is presented. The array data from a series of beacons is captured and then used to statistically extract anisotropic weld properties by using a Monte-Carlo inversion approach. The beacon and imaging systems are realized using two separated arrays; one acts as a series of beacons and the other images these beacons. Key to the Monte-Carlo inversion scheme is a fast forward model of wave propagation in the anisotropic weld and this is based on the Dijkstra algorithm. Using this autofocus approach a measured weld map was extracted from an austenitic weld and used to reduce location errors, initially greater than 6mm, to less than 1mm.

  6. Geochemical & Physical Aquifer Property Heterogeneity: A Multiscale Sedimentologic Approach to Reactive Solute Transport

    SciTech Connect

    Murray, Chris; Allen-King, Richelle; Weissmann, Gary

    2006-06-01

    This project is testing the hypothesis that sedimentary lithofacies determine the geochemical and physical hydrologic properties that control reactive solute transport (Figure 1). We are testing that hypothesis for one site, a portion of the saturated zone at the Hanford Site (Ringold Formation), and for a model solute, carbon tetrachloride (CT). The representative geochemical and physical aquifer properties selected for quantification in the proposed project are the properties that control CT transport: hydraulic conductivity (K) and reactivity (sorption distribution coefficient, Kd, and anaerobic transformation rate constant, kn). We are combining observations at outcrop analog sites (to measure lithofacies dimensions and statistical relations) with measurements from archived and fresh core samples (for geochemical experiments and to provide additional constraint to the stratigraphic model) from the Ringold Formation to place local-scale lithofacies successions, and their distinct hydrologic property distributions, into the basinal context, thus allowing us to estimate the spatial distributions of properties that control reactive solute transport in the subsurface.

  7. Comparison on thermal transport properties of graphene and phosphorene nanoribbons

    PubMed Central

    Peng, Xiao-Fang; Chen, Ke-Qiu

    2015-01-01

    We investigate ballistic thermal transport at low temperatures in graphene and phosphorene nanoribbons (PNRS) modulated with a double-cavity quantum structure. A comparative analysis for thermal transport in these two kinds of nanomaterials is made. The results show that the thermal conductance in PNRS is greater than that in graphene nanoribbons (GNRS). The ratio kG/kP (kG is the thermal conductivity in GNRS and kP is the thermal conductivity in PNRS) decreases with lower temperature or for narrower nanoribbons, and increases with higher temperature or for wider nanoribbons. The greater thermal conductance and thermal conductivity in PNRS originate from the lower cutoff frequencies of the acoustic modes. PMID:26577958

  8. Understanding hopping transport and thermoelectric properties of conducting polymers

    NASA Astrophysics Data System (ADS)

    Ihnatsenka, S.; Crispin, X.; Zozoulenko, I. V.

    2015-07-01

    We calculate the conductivity σ and the Seebeck coefficient S for the phonon-assisted hopping transport in conducting polymers poly(3,4-ethylenedioxythiophene) or PEDOT, experimentally studied by Bubnova et al. [J. Am. Chem. Soc. 134, 16456 (2012)], 10.1021/ja305188r. We use the Monte Carlo technique as well as the semianalytical approach based on the transport energy concept. We demonstrate that both approaches show a good qualitative agreement for the concentration dependence of σ and S . At the same time, we find that the semianalytical approach is not in a position to describe the temperature dependence of the conductivity. We find that both Gaussian and exponential density of states (DOS) reproduce rather well the experimental data for the concentration dependence of σ and S giving similar fitting parameters of the theory. The obtained parameters correspond to a hopping model of localized quasiparticles extending over 2-3 monomer units with typical jumps over a distance of 3-4 units. The energetic disorder (broadening of the DOS) is estimated to be 0.1 eV. Using the Monte Carlo calculation we reproduce the activation behavior of the conductivity with the calculated activation energy close to the experimentally observed one. We find that for a low carrier concentration a number of free carriers contributing to the transport deviates strongly from the measured oxidation level. Possible reasons for this behavior are discussed. We also study the effect of the dimensionality on the charge transport by calculating the Seebeck coefficient and the conductivity for the cases of three-, two-, and one-dimensional motion.

  9. Theoretical studies of the transport properties in compound semiconductors

    NASA Technical Reports Server (NTRS)

    Segall, Benjamin

    1994-01-01

    This final report is an overview of the work done on Cooperative Agreement NCC 3-55 with the Solid State Technology Branch of the NASA-Lewis Research Center (LeRC). Over the period of time that the agreement was in effect, the principal investigator and, in the last three years, the co-principal investigator worked on a significant number of projects and interacted with members of the Solid State Technology (SST) branch in a number of different ways. For the purpose of this report, these efforts will be divided into five categories: 1) work directly with experimental electrical transport studies conducted by members of the SST branch; 2) theoretical work on electrical transport in compound semiconductors; 3) electronic structure calculations which are relevant to the electrical transport in polytypes of SiC and SiC-AlN alloys; 4) the electronic structure calculations of polar interfaces; and 5) consultative and supportive activities related to experiments and other studies carried out by SST branch members. Work in these categories is briefly discussed.

  10. Parallel Anisotropic Tetrahedral Adaptation

    NASA Technical Reports Server (NTRS)

    Park, Michael A.; Darmofal, David L.

    2008-01-01

    An adaptive method that robustly produces high aspect ratio tetrahedra to a general 3D metric specification without introducing hybrid semi-structured regions is presented. The elemental operators and higher-level logic is described with their respective domain-decomposed parallelizations. An anisotropic tetrahedral grid adaptation scheme is demonstrated for 1000-1 stretching for a simple cube geometry. This form of adaptation is applicable to more complex domain boundaries via a cut-cell approach as demonstrated by a parallel 3D supersonic simulation of a complex fighter aircraft. To avoid the assumptions and approximations required to form a metric to specify adaptation, an approach is introduced that directly evaluates interpolation error. The grid is adapted to reduce and equidistribute this interpolation error calculation without the use of an intervening anisotropic metric. Direct interpolation error adaptation is illustrated for 1D and 3D domains.

  11. The effect of electron induced hydrogenation of graphene on its electrical transport properties

    NASA Astrophysics Data System (ADS)

    Woo, Sung Oh; Teizer, Winfried

    2013-07-01

    We report a deterioration of the electrical transport properties of a graphene field effect transistor due to energetic electron irradiation on a stack of Poly Methyl Methacrylate (PMMA) on graphene (PMMA/graphene bilayer). Prior to electron irradiation, we observed that the PMMA layer on graphene does not deteriorate the carrier transport of graphene but improves its electrical properties instead. As a result of the electron irradiation on the PMMA/graphene bilayer, the Raman "D" band appears after removal of PMMA. We argue that the degradation of the transport behavior originates from the binding of hydrogen generated during the PMMA backbone secession process.

  12. Anisotropic Total Variation Filtering

    SciTech Connect

    Grasmair, Markus; Lenzen, Frank

    2010-12-15

    Total variation regularization and anisotropic filtering have been established as standard methods for image denoising because of their ability to detect and keep prominent edges in the data. Both methods, however, introduce artifacts: In the case of anisotropic filtering, the preservation of edges comes at the cost of the creation of additional structures out of noise; total variation regularization, on the other hand, suffers from the stair-casing effect, which leads to gradual contrast changes in homogeneous objects, especially near curved edges and corners. In order to circumvent these drawbacks, we propose to combine the two regularization techniques. To that end we replace the isotropic TV semi-norm by an anisotropic term that mirrors the directional structure of either the noisy original data or the smoothed image. We provide a detailed existence theory for our regularization method by using the concept of relaxation. The numerical examples concluding the paper show that the proposed introduction of an anisotropy to TV regularization indeed leads to improved denoising: the stair-casing effect is reduced while at the same time the creation of artifacts is suppressed.

  13. Detecting the local transport properties and the dimensionality of transport of epitaxial graphene by a multi-point probe approach

    NASA Astrophysics Data System (ADS)

    Barreto, Lucas; Perkins, Edward; Johannsen, Jens; Ulstrup, Søren; Fromm, Felix; Raidel, Christian; Seyller, Thomas; Hofmann, Philip

    2013-01-01

    The electronic transport properties of epitaxial monolayer graphene (MLG) and hydrogen-intercalated quasi free-standing bilayer graphene (QFBLG) on SiC(0001) are investigated by micro multi-point probes. Using a probe with 12 contacts, we perform four-point probe measurements with the possibility to effectively vary the contact spacing over more than one order of magnitude, allowing us to establish that the transport is purely two-dimensional. Combined with the carrier density obtained by angle-resolved photoemission spectroscopy, we find the room temperature mobility of MLG to be (870±120) cm2/V s. The transport in QFBLG is also found to be two-dimensional with a mobility of (1600±160) cm2/V s.

  14. Electronic and transport properties of PSi@MoS2 nanocables.

    PubMed

    Sun, Cuicui; Zhang, Guiling; Shang, Yan; Yang, Zhao-Di; Sun, Xiaojun

    2016-02-14

    Electronic structures and transport properties of prototype MoS2 nanotube (15, 0) nanocables, including undoped PSi@MoS2 and B- and P-doped PSi@MoS2 (where PSi refers to polysilane), are investigated using the density functional theory (DFT) and the non-equilibrium Green's function (NEGF) methods. It is found that transport properties of two-probe systems by sandwiching finite long nanocables between two Au electrodes are basically in agreement with the electronic structures of their corresponding infinitely long systems. Encapsulating undoped and doped PSi nanowires inside the MoS2 nanotubes could not significantly affect the electronic and transport properties. B-doping and P-doping upon PSi play different roles in the electronic and transport properties. B-doping may exert constructive and destructive effects on electron transport depending on its position and applied bias direction, while P-doping displays a negligible effect. In addition, we found that bi-doping by two adjacent B atoms could slightly enhance the conductivity. These results could offer some clues for conducting experiments to achieve nanoelectronic devices with intrinsic transport properties of MoS2 nanotubes.

  15. [Study of transport properties of the polymeric membranous dressing with silver ions].

    PubMed

    Slezak, Andrzej; Kucharzewski, Marek; Grzegorczyn, Sławomir; Slezak, Izabella H

    2005-01-01

    The transport properties of polymeric membraneous dresing silver ion containing Textus Bioactive were studied. This dressing is made of three types of theromoplastic polymeric fibers, formed into two-layers membrane. In first layer occure the polymeric fiber, which the core is hydrophobic and hydrophilic surfaces contain a silver zeolite. These fibers neighborours with hydrophilic super absorbing polymers. Third type of polymeric fibers occur in the second layer of membrane and is arranged parallel to surface's skin, creating a net preventing stick of membraneous dressing to treated wound. Using of the Kedem-Katchalsky equations the transport model of this membrane and the temporal and concentration characteristics of transport parameters (hydraulic permeability, refection and solute permeability) were determined. Experimental results show that the polymeric membranous dressing contain the silver ions posses non-linear transport properties, which are consequence of structure and physicochemical properties of polymeric membranes.

  16. The effect of mucolytic agents on the rheologic and transport properties of canine tracheal mucus.

    PubMed

    Martin, R; Litt, M; Marriott, C

    1980-03-01

    The effect of several sulfhydryl and other agents on the rheologic and mucociliary transport properties of a model secretion, reconstituted canine tracheal mucus, was investigated. The mucus was obtained via the canine tracheal pouch. Rheologic properties were determined by mirorheometry, and the ciliary transport rate was determined using the frog palate technique. It was found that N-acetyl cysteine decreased the elastic modulus, leading to improved mucociliary transport at concentrations such that the mucin did not precipitate. S-carboxymethyl cysteine had no effect on either mucus properties or mucociliary transport rate, and its reported effectiveness in vivo must be due to some mechanism other than solubilization of mucin. Similar results were found with other blocked sulfhydryl compounds. Urea and potassium iodide to decrease mucus elasticity, but are harmful to cilia at the concentrations needed.

  17. CONDENSED MATTER: STRUCTURE, MECHANICAL AND THERMAL PROPERTIES: Theoretical Investigations on the Off-Center Displacement of Co2+ in SrO by Analyzing Its Anisotropic g Factors

    NASA Astrophysics Data System (ADS)

    Lu, Guang-Duo; Zhang, Huai-Wu; Tang, Xiao-Li; Zhong, Zhi-Yong; Peng, Long

    2009-08-01

    The off-center displacement of Co2+ ion in SrO crystal is investigated by analyzing its anisotropic g factors gx, gy and gz through diagonalization of the 6 × 6 energy matrix within 4T1 ground state for a 3d7 ion under rhombic symmetry. In the matrix, the contributions from the admixtures of various J( = 1/2, 3/2, 5/2) states and the fourth-order term Dη of rhombic crystal-fields and the ligand orbitals and spin-orbit coupling interactions, which are usually ignored in the previous studies, are considered. Both g factors (gx = 4.172, gy = 5.004 and gz = 2.133) and the off-displacement value (ΔR approx 0.023 nm) show good agreement with the experimental data.

  18. Electronic, magnetic and transport properties of rare-earth monopnictides.

    PubMed

    Duan, Chun-Gang; Sabirianov, R F; Mei, W N; Dowben, P A; Jaswal, S S; Tsymbal, E Y

    2007-08-01

    The electronic structures and magnetic properties of many rare-earth monopnictides are reviewed in this article. Possible candidate materials for spintronics devices from the rare-earth monopnictide family, i.e. high polarization (nominally half-metallic) ferromagnets and antiferromagnets, are identified. We attempt to provide a unified picture of the electronic properties of these strongly correlated systems. The relative merits of several ab initio theoretical methods, useful in the study of the rare-earth monopnictides, are discussed. We present our current understanding of the possible half-metallicity, semiconductor-metal transitions, and magnetic orderings in the rare-earth monopnictides. Finally, we propose some potential strategies to improve the magnetic and electronic properties of these candidate materials for spintronics devices. PMID:21694120

  19. Heat transport in nonuniform superconductors

    NASA Astrophysics Data System (ADS)

    Richard, Caroline; Vorontsov, Anton B.

    2016-08-01

    We calculate electronic energy transport in inhomogeneous superconductors using a fully self-consistent nonequilibrium quasiclassical Keldysh approach. We develop a general theory and apply it to a superconductor with an order parameter that forms domain walls of the type encountered in the Fulde-Ferrell-Larkin-Ovchinnikov state. The heat transport in the presence of a domain wall is inherently anisotropic and nonlocal. The bound states in the nonuniform region play a crucial role and control heat transport in several ways: (i) they modify the spectrum of quasiparticle states and result in Andreev reflection processes and (ii) they hybridize with the impurity band and produce a local transport environment with properties very different from those in a uniform superconductor. As a result of this interplay, heat transport becomes highly sensitive to temperature, magnetic field, and disorder. For strongly scattering impurities, we find that the transport across domain walls at low temperatures is considerably more efficient than in the uniform superconducting state.

  20. Transport properties of Nb/InAs(2DEG)/Nb Josephson field-effect transistors

    NASA Astrophysics Data System (ADS)

    Richter, A.; Koch, M.; Matsuyama, T.; Merkt, U.

    1999-11-01

    We investigate transport properties of mesoscopic semiconductor-superconductor weak links. The superconducting Nb electrodes of our junctions are coupled by the two-dimensional electron gas of an InAs heterostructure grown on a GaAs substrate. We report on the properties of Josephson field-effect transistors utilizing these junctions.

  1. Microsphere-chain waveguides: Focusing and transport properties

    SciTech Connect

    Allen, Kenneth W. Astratov, Vasily N.; Darafsheh, Arash; Abolmaali, Farzaneh; Mojaverian, Neda; Limberopoulos, Nicholaos I.; Lupu, Anatole

    2014-07-14

    It is shown that the focusing properties of polystyrene microsphere-chain waveguides (MCWs) formed by sufficiently large spheres (D ≥ 20λ, where D is the sphere diameter and λ is the wavelength of light) scale with the sphere diameter as predicted by geometrical optics. However, this scaling behavior does not hold for mesoscale MCWs with D ≤ 10λ resulting in a periodical focusing with gradually reducing beam waists and in extremely small propagation losses. The observed effects are related to properties of nanojet-induced and periodically focused modes in such structures. The results can be used for developing focusing microprobes, laser scalpels, and polarization filters.

  2. Anisotropic parallel self-diffusion coefficients near the calcite surface: A molecular dynamics study.

    PubMed

    Franco, Luís F M; Castier, Marcelo; Economou, Ioannis G

    2016-08-28

    Applying classical molecular dynamics simulations, we calculate the parallel self-diffusion coefficients of different fluids (methane, nitrogen, and carbon dioxide) confined between two {101̄4} calcite crystal planes. We have observed that the molecules close to the calcite surface diffuse differently in distinct directions. This anisotropic behavior of the self-diffusion coefficient is investigated for different temperatures and pore sizes. The ion arrangement in the calcite crystal and the strong interactions between the fluid particles and the calcite surface may explain the anisotropy in this transport property. PMID:27586936

  3. Anisotropic parallel self-diffusion coefficients near the calcite surface: A molecular dynamics study

    NASA Astrophysics Data System (ADS)

    Franco, Luís F. M.; Castier, Marcelo; Economou, Ioannis G.

    2016-08-01

    Applying classical molecular dynamics simulations, we calculate the parallel self-diffusion coefficients of different fluids (methane, nitrogen, and carbon dioxide) confined between two { 10 1 ¯ 4 } calcite crystal planes. We have observed that the molecules close to the calcite surface diffuse differently in distinct directions. This anisotropic behavior of the self-diffusion coefficient is investigated for different temperatures and pore sizes. The ion arrangement in the calcite crystal and the strong interactions between the fluid particles and the calcite surface may explain the anisotropy in this transport property.

  4. Transport Properties of III-N Hot Electron Transistors

    NASA Astrophysics Data System (ADS)

    Suntrup, Donald J., III

    Unipolar hot electron transistors (HETs) represent a tantalizing alternative to established bipolar transistor technologies. During device operation electrons are injected over a large emitter barrier into the base where they travel along the device axis with very high velocity. Upon arrival at the collector barrier, high-energy electrons pass over the barrier and contribute to collector current while low-energy electrons are quantum mechanically reflected back into the base. Designing the base with thickness equal to or less than the hot electron mean free path serves to minimize scattering events and thus enable quasi-ballistic operation. Large current gain is achieved by increasing the ratio of transmitted to reflected electrons. Although III-N HETs have undergone substantial development in recent years, there remain ample opportunities to improve key device metrics. In order to engineer improved device performance, a deeper understanding of the operative transport physics is needed. Fortunately, the HET provides fertile ground for studying several prominent electron transport phenomena. In this thesis we present results from several studies that use the III-N HET as both emitter and analyzer of hot electron momentum states. The first provides a measurement of the hot electron mean free path and the momentum relaxation rate in GaN; the second relies on a new technique called electron injection spectroscopy to investigate the effects of barrier height inhomogeneity in the emitter. To supplement our analysis we develop a comprehensive theory of coherent electron transport that allows us to model the transfer characteristics of complex heterojunctions. Such a model provides a theoretical touchstone with which to compare our experimental results. While these studies are of potential interest in their own right, we interpret the results with an eye toward improving next-generation device performance.

  5. FORTRAN 4 computer program for calculation of thermodynamic and transport properties of complex chemical systems

    NASA Technical Reports Server (NTRS)

    Svehla, R. A.; Mcbride, B. J.

    1973-01-01

    A FORTRAN IV computer program for the calculation of the thermodynamic and transport properties of complex mixtures is described. The program has the capability of performing calculations such as:(1) chemical equilibrium for assigned thermodynamic states, (2) theoretical rocket performance for both equilibrium and frozen compositions during expansion, (3) incident and reflected shock properties, and (4) Chapman-Jouguet detonation properties. Condensed species, as well as gaseous species, are considered in the thermodynamic calculation; but only the gaseous species are considered in the transport calculations.

  6. Basic knowledge on radiative and transport properties to begin in thermal plasmas modelling

    SciTech Connect

    Cressault, Y.

    2015-05-15

    This paper has for objectives to present the radiative and the transport properties for people beginning in thermal plasmas. The first section will briefly recall the equations defined in numerical models applied to thermal plasmas; the second section will particularly deal with the estimation of radiative losses; the third part will quickly present the thermodynamics properties; and the last part will concern the transport coefficients (thermal conductivity, viscosity and electrical conductivity of the gas or mixtures of gases). We shall conclude the paper with a discussion about the validity of these results the lack of data for some specific applications, and some perspectives concerning these properties for non-equilibrium thermal plasmas.

  7. Renormalized anisotropic exchange for representing heat assisted magnetic recording media

    SciTech Connect

    Jiao, Yipeng; Liu, Zengyuan; Victora, R. H.

    2015-05-07

    Anisotropic exchange has been incorporated in a description of magnetic recording media near the Curie temperature, as would be found during heat assisted magnetic recording. The new parameters were found using a cost function that minimized the difference between atomistic properties and those of renormalized spin blocks. Interestingly, the anisotropic exchange description at 1.5 nm discretization yields very similar switching and magnetization behavior to that found at 1.2 nm (and below) discretization for the previous isotropic exchange. This suggests that the increased accuracy of anisotropic exchange may also reduce the computational cost during simulation.

  8. Direct pore-scale computation of material and transport properties for North Sea reservoir rocks

    NASA Astrophysics Data System (ADS)

    Øren, P.-E.; Bakke, S.; Held, R.

    2007-12-01

    This work investigates two complex, heterogeneous sandstone lithofacies in a North Sea petroleum reservoir field. We compare samples acquired by X-ray microtomography with numerically reconstructed lithofacies, obtained from a geological process based reconstruction technique. Effective material and transport properties of these digitized rocks, such as electrical resistivity, elastic moduli, fluid permeability, and magnetic resonance (NMR), are computed. The comparison largely reveals an excellent agreement of calculated effective properties between the actual and reconstructed pore structures. A dependence of the effective properties on the specific mineralogy could be investigated in case of the reconstructed rocks. Our results allow for an interpretation of trends in effective medium properties and facilitate the construction of cross-property relations for the investigated lithofacies. The present study demonstrates the potential and feasibility of combining computer generated rocks with numerical calculations to derive material and transport properties for reservoir rocks.

  9. Electrical Transport Properties of Polymorphic MoS2.

    PubMed

    Kim, Jun Suk; Kim, Jaesu; Zhao, Jiong; Kim, Sungho; Lee, Jin Hee; Jin, Youngjo; Choi, Homin; Moon, Byoung Hee; Bae, Jung Jun; Lee, Young Hee; Lim, Seong Chu

    2016-08-23

    The engineering of polymorphs in two-dimensional layered materials has recently attracted significant interest. Although the semiconducting (2H) and metallic (1T) phases are known to be stable in thin-film MoTe2, semiconducting 2H-MoS2 is locally converted into metallic 1T-MoS2 through chemical lithiation. In this paper, we describe the observation of the 2H, 1T, and 1T' phases coexisting in Li-treated MoS2, which result in unusual transport phenomena. Although multiphase MoS2 shows no transistor-gating response, the channel resistance decreases in proportion to the temperature, similar to the behavior of a typical semiconductor. Transmission electron microscopy images clearly show that the 1T and 1T' phases are randomly distributed and intervened with 2H-MoS2, which is referred to as the 1T and 1T' puddling phenomenon. The resistance curve fits well with 2D-variable range-hopping transport behavior, where electrons hop over 1T domains that are bounded by semiconducting 2H phases. However, near 30 K, electrons hop over charge puddles. The large temperature coefficient of resistance (TCR) of multiphase MoS2, -2.0 × 10(-2) K(-1) at 300 K, allows for efficient IR detection at room temperature by means of the photothermal effect. PMID:27399325

  10. Electrical Transport Properties of Polymorphic MoS2.

    PubMed

    Kim, Jun Suk; Kim, Jaesu; Zhao, Jiong; Kim, Sungho; Lee, Jin Hee; Jin, Youngjo; Choi, Homin; Moon, Byoung Hee; Bae, Jung Jun; Lee, Young Hee; Lim, Seong Chu

    2016-08-23

    The engineering of polymorphs in two-dimensional layered materials has recently attracted significant interest. Although the semiconducting (2H) and metallic (1T) phases are known to be stable in thin-film MoTe2, semiconducting 2H-MoS2 is locally converted into metallic 1T-MoS2 through chemical lithiation. In this paper, we describe the observation of the 2H, 1T, and 1T' phases coexisting in Li-treated MoS2, which result in unusual transport phenomena. Although multiphase MoS2 shows no transistor-gating response, the channel resistance decreases in proportion to the temperature, similar to the behavior of a typical semiconductor. Transmission electron microscopy images clearly show that the 1T and 1T' phases are randomly distributed and intervened with 2H-MoS2, which is referred to as the 1T and 1T' puddling phenomenon. The resistance curve fits well with 2D-variable range-hopping transport behavior, where electrons hop over 1T domains that are bounded by semiconducting 2H phases. However, near 30 K, electrons hop over charge puddles. The large temperature coefficient of resistance (TCR) of multiphase MoS2, -2.0 × 10(-2) K(-1) at 300 K, allows for efficient IR detection at room temperature by means of the photothermal effect.

  11. Studies of Transport Properties of Fractures: Final Report

    SciTech Connect

    Stephen R. Brown

    2006-06-30

    We proposed to study several key factors controlling the character and evolution of fracture system permeability and transport processes. We suggest that due to surface roughness and the consequent channeling in single fractures and in fracture intersections, the tendency of a fracture system to plug up, remain permeable, or for permeability to increase due to chemical dissolution/precipitation conditions will depend strongly on the instantaneous flow channel geometry. This geometry will change as chemical interaction occurs, thus changing the permeability through time. To test this hypothesis and advance further understanding toward a predictive capability, we endeavored to physically model and analyze several configurations of flow and transport of inert and chemically active fluids through channels in single fractures and through fracture intersections. This was an integrated program utilizing quantitative observations of fractures and veins in drill core, quantitative and visual observations of flow and chemical dissolution and precipitation within replicas of real rough-walled fractures and fracture intersections, and numerical modeling via lattice Boltzmann methods.

  12. Electron transport properties of single molecular junctions under mechanical modulations

    NASA Astrophysics Data System (ADS)

    Zhou, Jianfeng; Guo, Cunlan; Xu, Bingqian

    2012-04-01

    Electron transport behaviors of single molecular junctions are very sensitive to the atomic scale molecule-metal electrode contact interfaces, which have been difficult to control. We used a modified scanning probe microscope-break junction technique (SPM-BJT) to control the dynamics of the contacts and simultaneously monitor both the conductance and force. First, by fitting the measured data into a modified multiple tunneling barrier model, the static contact resistances, corresponding to the different contact conformations of single alkanedithiol and alkanediamine molecular junctions, were identified. Second, the changes of contact decay constant were measured under mechanical extensions of the molecular junctions, which helped to classify the different single molecular conductance sets into specific microscopic conformations of the molecule-electrode contacts. Third, by monitoring the changes of force and contact decay constant with the mechanical extensions, the changes of conductance were found to be caused by the changes of contact bond length and by the atomic reorganizations near the contact bond. This study provides a new insight into the understanding of the influences of contact conformations, especially the effect of changes of dynamic contact conformation on electron transport through single molecular junctions.

  13. Impact of carbonation on the durability of cementitious materials: water transport properties characterization

    NASA Astrophysics Data System (ADS)

    Auroy, M.; Poyet, S.; Le Bescop, P.; Torrenti, J.-M.

    2013-07-01

    Within the context of long-lived intermediate level radioactive waste geological disposal, reinforced concrete would be used. In service life conditions, the concrete structures would be subjected to drying and carbonation. Carbonation relates to the reaction between carbon dioxide (CO2) and the main hydrates of the cement paste (portlandite and C-S-H). Beyond the fall of the pore solution pH, indicative of steel depassivation, carbonation induces mineralogical and microstructural changes (due to portlandite and C-S-H dissolution and calcium carbonate precipitation). This results in the modification of the transport properties, which can impact the structure durability. Because concrete durability depends on water transport, this study focuses on the influence of carbonation on water transport properties. In fact, the transport properties of sound materials are known but they still remain to be assessed for carbonated ones. An experimental program has been designed to investigate the transport properties in carbonated materials. Four hardened cement pastes, differing in mineralogy, are carbonated in an accelerated carbonation device (in controlled environmental conditions) at CO2 partial pressure of about 3%. Once fully carbonated, all the data needed to describe water transport, using a simplified approach, will be evaluated.

  14. Electronic transport properties of one dimensional lithium nanowire using density functional theory

    SciTech Connect

    Thakur, Anil; Kumar, Arun; Chandel, Surjeet; Ahluwalia, P. K.

    2015-05-15

    Single nanowire electrode devices are a unique platform for studying as energy storage devices. Lithium nanowire is of much importance in lithium ion batteries and therefore has received a great deal of attention in past few years. In this paper we investigated structural and electronic transport properties of Li nanowire using density functional theory (DFT) with SIESTA code. Electronic transport properties of Li nanowire are investigated theoretically. The calculations are performed in two steps: first an optimized geometry for Li nanowire is obtained using DFT calculations, and then the transport relations are obtained using NEGF approach. SIESTA and TranSIESTA simulation codes are used in the calculations correspondingly. The electrodes are chosen to be the same as the central region where transport is studied, eliminating current quantization effects due to contacts and focusing the electronic transport study to the intrinsic structure of the material. By varying chemical potential in the electrode regions, an I-V curve is traced which is in agreement with the predicted behavior. Agreement of bulk properties of Li with experimental values make the study of electronic and transport properties in lithium nanowires interesting because they are promising candidates as bridging pieces in nanoelectronics. Transmission coefficient and V-I characteristic of Li nano wire indicates that Li nanowire can be used as an electrode device.

  15. Charge transport properties of CdMnTe radiation detectors

    SciTech Connect

    Kim K.; Rafiel, R.; Boardman, M.; Reinhard, I.; Sarbutt, A.; Watt, G.; Watt, C.; Uxa, S.; Prokopovich, D.A.; Belas, E.; Bolotnikov, A.E.; James, R.B.

    2012-04-11

    Growth, fabrication and characterization of indium-doped cadmium manganese telluride (CdMnTe)radiation detectors have been described. Alpha-particle spectroscopy measurements and time resolved current transient measurements have yielded an average charge collection efficiency approaching 100 %. Spatially resolved charge collection efficiency maps have been produced for a range of detector bias voltages. Inhomogeneities in the charge transport of the CdMnTe crystals have been associated with chains of tellurium inclusions within the detector bulk. Further, it has been shown that the role of tellurium inclusions in degrading chargecollection is reduced with increasing values of bias voltage. The electron transit time was determined from time of flight measurements. From the dependence of drift velocity on applied electric field the electron mobility was found to be n = (718 55) cm2/Vs at room temperature.

  16. Collective Transport Properties of Driven Skyrmions with Random Disorder

    NASA Astrophysics Data System (ADS)

    Reichhardt, C.; Ray, D.; Reichhardt, C. J. Olson

    2015-05-01

    We use particle-based simulations to examine the static and driven collective phases of Skyrmions interacting with random quenched disorder. We show that nondissipative effects due to the Magnus term reduce the depinning threshold and strongly affect the Skyrmion motion and the nature of the dynamic phases. The quenched disorder causes the Hall angle to become drive dependent in the moving Skyrmion phase, while different flow regimes produce distinct signatures in the transport curves. For weak disorder, the Skyrmions form a pinned crystal and depin elastically, while for strong disorder the system forms a pinned amorphous state that depins plastically. At high drives the Skyrmions can dynamically reorder into a moving crystal, with the onset of reordering determined by the strength of the Magnus term.

  17. Direct measurements of transport properties are essential for site characterization

    SciTech Connect

    Wright, J.; Conca, J.L.

    1994-08-01

    Direct measurements of transport parameters on subsurface sediments using, the UFA method provided detailed hydrostratigraphic mapping, and subsurface flux distributions at a mixed-waste disposal site at Hanford. Seven hundred unsaturated conductivity measurements on fifty samples were obtained in only six months total of UFA run time. These data are used to provide realistic information to conceptual models, predictive models and restoration strategies. The UFA instrument consists of an ultracentrifuge with a constant, ultralow flow pump that provides fluid to the sample surface through a rotating seal assembly and microdispersal system. Effluent from the sample is collected in a transparent, volumetrically-calibrated chamber at the bottom of the sample assembly. Using a strobe light, an observer can check the chamber while the sample is being centrifuged. Materials can be run in the UFA as recomposited samples or in situ samples can be subcored directly into the sample UFA chamber.

  18. Lithologic melt partitioning and transport properties of partially molten harzburgite

    NASA Astrophysics Data System (ADS)

    Miller, K. J.; Zhu, W.; Montesi, L.; Gaetani, G. A.; Le Roux, V.; Xiao, X.

    2015-12-01

    Quantitative constraints on melt transport in upper mantle are critical to understanding various dynamic processes at ocean ridges. In this study, we propose that thermodynamic gradients, resulting from spatial variations in mineralogy, can unevenly partition melt between olivine and orthopyroxene (opx), the two most abundant minerals in the upper mantle. The lithologic melt partitioning leads to higher melt fraction in olivine-rich regions compared to opx-rich regions, which may have important implications for melt transport. Lithologic partitioning has been experimentally confirmed in analogue systems, such as quartz/fluorite-H2O (Watson, 1999), but has never been observed in olivine/opx-melt samples. We synthesized olivine/opx-melt (harzburgite) samples by isostatically pressing oxide-high alumina basalt mixtures at 1350 °C and 1.5 GPa in a piston-cylinder apparatus. Nominal melt fractions of 0.02 to 0.20 and a constant 3 to 2 (olivine to opx) volume ratio were tested. Experimental charges were quenched, cored, and imaged using synchrotron X-ray microtomography. The resulting 3-D images constitute digital rock samples on which local melt fraction distributions, permeabilities, and electrical conductivities were numerically quantified. Our results are strong evidence for melt partitioning between olivine and opx: local melt fractions are 10 to 50% higher around olivine than opx grains. At the same melt fraction, permeabilities of whole harzburgite samples are lower compared to monomineralic olivine-melt samples (Miller et al., 2014). However, the presence of opx negligibly affects the permeability-porosity relation unless the abundance of opx is more than 40 vol. %. In contrast, electrical conductivities of harzburgites are systematically lower than those of olivine-melt samples. Lithological melt partitioning could be another mechanism responsible for forming high-porosity melt pathways in addition to reaction infiltration instability and deformation melt bands.

  19. Bottom-up processing and low temperature transport properties of polycrystalline SnSe

    SciTech Connect

    Ge, Zhen-Hua; Wei, Kaya; Lewis, Hutton; Martin, Joshua; Nolas, George S.

    2015-05-15

    A hydrothermal approach was employed to efficiently synthesize SnSe nanorods. The nanorods were consolidated into polycrystalline SnSe by spark plasma sintering for low temperature electrical and thermal properties characterization. The low temperature transport properties indicate semiconducting behavior with a typical dielectric temperature dependence of the thermal conductivity. The transport properties are discussed in light of the recent interest in this material for thermoelectric applications. The nanorod growth mechanism is also discussed in detail. - Graphical abstract: SnSe nanorods were synthesized by a simple hydrothermal method through a bottom-up approach. Micron sized flower-like crystals changed to nanorods with increasing hydrothermal temperature. Low temperature transport properties of polycrystalline SnSe, after SPS densification, were reported for the first time. This bottom-up synthetic approach can be used to produce phase-pure dense polycrystalline materials for thermoelectrics applications. - Highlights: • SnSe nanorods were synthesized by a simple and efficient hydrothermal approach. • The role of temperature, time and NaOH content was investigated. • SPS densification allowed for low temperature transport properties measurements. • Transport measurements indicate semiconducting behavior.

  20. Anisotropic silk fibroin/gelatin scaffolds from unidirectional freezing.

    PubMed

    Asuncion, Maria Christine Tankeh; Goh, James Cho-Hong; Toh, Siew-Lok

    2016-10-01

    Recent studies have underlined the importance of matching scaffold properties to the biological milieu. Tissue, and thus scaffold, anisotropy is one such property that is important yet sometimes overlooked. Methods that have been used to achieve anisotropic scaffolds present challenges such as complicated fabrication steps, harsh processing conditions and toxic chemicals involved. In this study, unidirectional freezing was employed to fabricate anisotropic silk fibroin/gelatin scaffolds in a simple and mild manner. Morphological, mechanical, chemical and cellular compatibility properties were investigated, as well as the effect of the addition of gelatin to certain properties of the scaffold. It was shown that scaffold properties were suitable for cell proliferation and that mesenchymal stem cells were able to align themselves along the directed fibers. The fabricated scaffolds present a platform that can be used for anisotropic tissue engineering applications such as cardiac patches. PMID:27287164