Anisotropic bias dependent transport property of defective phosphorene layer
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
Anisotropic transport properties of ferromagnetic-superconducting bilayers
Kayali, MA; Pokrovsky, Valery L.
2004-01-01
We study the transport properties of vortex matter in a superconducting thin film separated by a thin insulator layer from a ferromagnetic layer. We assume an alternating stripe structure for both FM and superconducting (SC) layers as found in S...
Exceptional and Anisotropic Transport Properties of Photocarriers in Black Phosphorus.
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. PMID:25961945
Numerical modelling of mass transport in an arterial wall with anisotropic transport properties.
Denny, William J; Walsh, Michael T
2014-01-01
Coronary artery disease results in blockages or narrowing of the artery lumen. Drug eluting stents (DES) were developed to replace bare metal stents in an effort to combat re-blocking of the diseased artery following treatment. The numerical models developed within this study focus on representing the changing trends of drug delivery from an idealised DES in an arterial wall with an anisotropic ultra-structure. To reduce the computational burden of solving coupled physics problems, a model reduction strategy was adopted. Particular focus has been placed upon adequately modelling the influence of strut compression as there is a paucity of numerical studies that account for changes in transport properties in compressed regions of the arterial wall due to stent deployment. This study developed an idealised numerical modelling framework to account for the changes in the directionally dependent porosity and tortuosities of the arterial wall as a result of radial strut compression. The results show that depending on the degree of strut compression, trends in therapeutic drug delivery within the arterial wall can be either increased or decreased. The study highlights the importance of incorporating compression into numerical models to better represent transport within the arterial wall and suggests an appropriate numerical modelling framework that could be utilised in more realistic patient specific arterial geometries. PMID:24210470
Nieto-Draghi, Carlos; Ungerer, Philippe; Rousseau, Bernard
2006-07-28
The parameters of the anisotropic united atom (AUA) intermolecular potential for n-alkanes originally proposed by Toxvaerd [J. Chem. Phys. 93, 4290 (1990)] [AUA(3)] was optimized by Ungerer et al. [J. Chem. Phys. 112, 5499 (2000)] [AUA(4)] on the basis of equilibrium properties (vapor pressures, vaporization enthalpies, and liquid densities). In this work we analyze the influence of the torsion potential in the internal and collective dynamics of the AUA model. The modified potential [AUA(4m)] preserves all the intermolecular parameters and only explores an increment in the trans-gauche and gauche(+)-gauche(-) transition barrier of the torsion potential. This modification better reproduce different transport properties (shear viscosity, self-diffusion coefficient, and internal relaxation times), keeping the accuracy achieved in our previous work for equilibrium properties. An extensive investigation of the shear viscosity of ethane, n-pentane, n-dodecane, and n-eicosane in a wide range of pressures and temperatures shows that the AUA(4m) improves the accuracy of the original AUA(4), reducing the absolute average deviation from 30% to 14.5%. Finally, the self-diffusion coefficient of n-hexane computed with the new model in the range of 223-333 K and from 0.1 to 295 MPa is in better agreement with respect to the experimental data than the original model. PMID:16942166
Strain-induced anisotropic transport properties of LaBaCo?O?.?+? thin films on NdGaO? substrates.
Liu, Ming; Zou, Qiang; Ma, Chunrui; Collins, Greg; Mi, Shao-Bo; Jia, Chun-Lin; Guo, Haiming; Gao, Hongjun; Chen, Chonglin
2014-06-11
Thin films of double-perovskite structural LaBaCo2O5.5+? were epitaxially grown on (110) NdGaO3 substrates by pulsed laser deposition. Microstructural studies by high-resolution X-ray diffraction and transmission electron microscopy revealed that the films have an excellent quality epitaxial structure. In addition, strong in-plane anisotropic strains were measured. Electrical transport properties of the films were characterized by an ultra-high-vacuum four-probe scanning tunneling microscopy system at different temperatures. It was found that the anisotropic in-plane strain can significantly tune the values of film resistance up to 590%. PMID:24824560
Synthesis and anisotropic magnetic and transport properties of cubic SrCoO3 single crystal
NASA Astrophysics Data System (ADS)
Long, Youwen; Kaneko, Yoshio; Ishiwata, Shintaro; Taguchi, Yasujiro; Tokura, Yoshinori
2011-03-01
Solid state oxides containing transition metals with unusually high valence states exhibit interesting physical properties. However, due to the unstableness of these high valence states, high pressure is often needed to stabilize such high valence states. We were successful in growing a large-size SrCo O3 single crystal by using high-pressure technique. This material shows good metallic behavior with high ferromagnetic Curie temperature about 305 K, and the easy magnetization axis is 111 > direction . ThespinmomentofCo 4+ ionmeasuredat 2 Kand 7 Tisabout 2.50 ?B , suggesting an spin configuration as predicted by theoretical calculations. Although SrCoO3 has a highly symmetric cubic crystal structure (Pm-3m), it exhibits significant anisotropic magnetoresistance at low temperatures.
Anisotropic transport properties of zinc-blend ZnTe/CrTe heterogeneous junction nanodevices
NASA Astrophysics Data System (ADS)
Yao, Wei; Yao, K. L.; Gao, G. Y.; Zhu, S. C.; Fu, H. H.
2012-11-01
Motivated by the molecular-beam epitaxial growth of zinc-blend-type CrTe thin films on ZnTe, we present a theoretical study on the spin-polarized transport properties of ZnTe/CrTe p-n junction as spin diode and CrTe/ZnTe/CrTe magnetic tunnel junction for (001) and (011) surfaces. Both ZnTe(001)/CrTe(001) and ZnTe(011)/CrTe(011) p-n junctions show excellent spin diode effect, the majority spin current of positive voltage is much larger than that of negative voltage and the minority spin current is absolutely inhibited. The ZnTe(001)/CrTe(001) p-n junction has lower "turn off" current and higher rectification ratio (about 105) than the ZnTe(011)/CrTe(011) which shows obvious anisotropy. We also find that the tunneling magneto resistance ratio of the CrTe/ZnTe/CrTe magnetic tunnel junction is up to about 4 × 109%.
On the anisotropic elastic properties of hydroxyapatite.
NASA Technical Reports Server (NTRS)
Katz, J. L.; Ukraincik, K.
1971-01-01
Experimental measurements of the isotropic elastic moduli on polycrystalline specimens of hydroxyapatite and fluorapatite are compared with elastic constants measured directly from single crystals of fluorapatite in order to derive a set of pseudo single crystal elastic constants for hydroxyapatite. The stiffness coefficients thus derived are given. The anisotropic and isotropic elastic properties are then computed and compared with similar properties derived from experimental observations of the anisotropic behavior of bone.
Synthesis of cubic SrCoO3 single crystal and its anisotropic magnetic and transport properties
NASA Astrophysics Data System (ADS)
Long, Youwen; Kaneko, Yoshio; Ishiwata, Shintaro; Taguchi, Yasujiro; Tokura, Yoshinori
2011-06-01
A large-size single crystal of nearly stoichiometric SrCoO3 was prepared with a two-step method combining the floating-zone technique and subsequent high oxygen pressure treatment. SrCoO3 crystallizes in a cubic perovskite structure with space group Pm\\bar {3}m , and displays an itinerant ferromagnetic behavior with the Curie temperature of 305 K. The easy magnetization axis is found to be along the [111] direction, and the saturation moment is 2.5 µB/f.u., in accord with the picture of the intermediate spin state. The resistivity at low temperatures (T) is proportional to T2, indicative of the possible effect of orbital fluctuation in the intermediate spin ferromagnetic metallic state. Unusual anisotropic magnetoresistance is also observed and its possible origin is discussed.
Synthesis of cubic SrCoO3 single crystal and its anisotropic magnetic and transport properties.
Long, Youwen; Kaneko, Yoshio; Ishiwata, Shintaro; Taguchi, Yasujiro; Tokura, Yoshinori
2011-06-22
A large-size single crystal of nearly stoichiometric SrCoO(3) was prepared with a two-step method combining the floating-zone technique and subsequent high oxygen pressure treatment. SrCoO(3) crystallizes in a cubic perovskite structure with space group Pm3m, and displays an itinerant ferromagnetic behavior with the Curie temperature of 305 K. The easy magnetization axis is found to be along the [111] direction, and the saturation moment is 2.5 µ(B)/f.u., in accord with the picture of the intermediate spin state. The resistivity at low temperatures (T) is proportional to T(2), indicative of the possible effect of orbital fluctuation in the intermediate spin ferromagnetic metallic state. Unusual anisotropic magnetoresistance is also observed and its possible origin is discussed. PMID:21628787
Theoretical studies of anisotropic energy transport in TATB crystals
NASA Astrophysics Data System (ADS)
Kroonblawd, Matthew; Sewell, Thomas
2015-06-01
Anisotropic thermal transport properties were determined theoretically for single crystals of the insensitive explosive 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) using molecular dynamics. TATB exhibits a graphitic-like layered packing structure with a two-dimensional hydrogen-bonding network within, but not between, the molecule-thick layers that comprise the crystal. Anisotropic thermal conductivity coefficients were determined for initially defect-free and defective TATB crystals at various temperatures and pressures, and direction-dependent relaxation of idealized hot spots was studied. The room temperature, atmospheric pressure thermal conductivity for TATB is predicted to be generally greater and more anisotropic than the thermal conductivities of other molecular explosives; conduction within the layers is at least 68% greater than conduction between them. The phonon mean free path length is predicted to be less than 1 nm. Decreases in thermal conductivity induced by molecular vacancy defects are also anisotropic and exhibit a linear dependence on defect density. Results from the hot-spot relaxation simulations were compared with and fit to an analytical solution for the one-dimensional continuum heat equation by treating the thermal diffusivity as a parameter. Validity of the continuum heat equation predictions for TATB is assessed for length scales below 20 nm.
Numerical investigation of nanoparticles transport in anisotropic porous media.
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
Anisotropic Transport in Manganite Films: Tuning Emergent Electronic Phase Separation
NASA Astrophysics Data System (ADS)
Ward, Thomas Z.; Budai, John; Shen, Jian
2010-03-01
Emergent electronic phase separation has been linked to many exciting behaviors such as the metal-insulator transition, colossal magnetoresistance, and high Tc superconductivity. The intricate energy overlaps of spin-charge-lattice-orbital interactions in complex materials that lead to electronic phase separation have made the phenomena very difficult to study. By selectively tuning the elastic energy in manganite films, we have uncovered never before seen anisotropic transport properties that answer fundamental questions on the role of electronic phase separation in manganites. Using La[5/8-x]Pr[x]Ca[3/8]MnO[3] (x = 0.3) (LPCMO) as a model system, we have found that we can selectively induce anisotropic electronic domain formation along one axis of a pseudocubic perovskite single crystal thin film manganite by epitaxially locking it to an orthorhombic substrate. Simultaneous temperature-dependent resistivity measurements along the two perpendicular in-plane axes show significant differences in the metal-insulator transition temperatures and extraordinarily high anisotropic resistive behaviors on macroscales. These findings show that emergent electronic phase domain formation can be selectively tuned over long distances which gives us a fuller understanding of the balanced energetics that drive emergent behaviors in complex materials.
Nunner, Tamara
2012-01-01
PHYSICAL REVIEW B 85, 115440 (2012) Current-induced switching in transport through anisotropic be thought of as molecular switches, with possible applications to molecular spintronics. In this paper, we (molecular spintronics).610 The interesting property of transport setups based on single-molecule magnets
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.
Transport and Anisotropic Diffusion Models for Movement in Oriented Habitats
Hillen, Thomas
Transport and Anisotropic Diffusion Models for Movement in Oriented Habitats Thomas Hillen on the specific case of animal movement in oriented habitats. The orientations can be given by magnetic cues features, and the diffusion is given by the variance-covariance matrix of the underlying oriented habitat
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-induced crystallization as the possible causes explaining our observations and evaluate their contribution making use of classical rubber elasticity results. Finally, we study of the role of evaporation-induced thermal effects in the well-know phenomena of the tears of wine. We develop a transport model and support its predictions by experimentally measuring the temperature gradient present in wine and cognac films using IRT. Our results demonstrate that the Marangoni flow responsible for wine tears results from both composition and temperature gradients, whose relative contribution strongly depends on the thermodynamic properties of ethanol-water mixtures. The methods developed here can be used to obtain a deeper understanding of Marangoni flows, which are ubiquitous in nature and modern technology.
K. Ishikawa; N. Maeda
2002-04-16
Physical properties of anisotropic compressible quantum Hall states and their implications to integer quantum Hall effect are studied based on a mean field theory on the von Neumann lattice. It is found that the Hall gas has unusual thermodynamic properties such as negative pressure and negative compressibility and unusual transport properties. Transport properties and density profile of Hall gas states at half fillings agree with those of anisotropic states discovered experimentally in higher Landau levels. Hall gas formed in the bulk does not spread but shrinks, owing to negative pressure, and a strip of Hall gas gives abnormal electric transport at finite temperature. Conductances at finite temperature and finite injected current agree with recent experiments on collapse and breakdown phenomena of the integer quantum Hall effect. As a byproduct, existence of new quantum Hall regime, dissipative quantum Hall regime, in which Hall resistance is quantized exactly even in the system of small longitudinal resistance is derived.
Anisotropic magnetization and transport properties of RAgSb{sub 2} (R=Y, La-Nd, Sm, Gd-Tm)
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 containing magnetic rare earths, antiferromagnetically ordered at low temperatures. The ordering temperatures of these compounds are approximately proportional to the de Gennes factor, which suggests that the RKKY interaction is the dominant exchange interaction between local moments. Although metamagnetic transitions were observed in many members of the series, the series of sharp step-like transitions in DyAgSb{sub 2} are impressive. In this compound, up to 11 different magnetic states are stable depending on the magnitude and direction of the applied field. The saturated magnetization of these states and the critical fields needed to induce a phase transition vary with the direction of the applied field. Through detailed study of the angular dependence of the magnetization and critical fields, the net distribution of magnetic moments was determined for most, of the metamagnetic states. In DyAgSb{sub 2}, the crystal electric field (CEF) splitting of the Hund's rule ground state creates a strong anisotropy where the local Dy{sup 3+} magnetic moments are constrained to one of the equivalent {l_angle}110{r_angle} directions within the basal plane. The four position clock model was introduced to account for this rich metamagnetic system. Within this model, the magnetic moments are constrained to one of four equivalent orientations within the basal plane and interactions are calculated for up third nearest neighbors. The theoretical phase diagram, generated from the coupling constants is in excellent agreement with the experimental phase diagram. Further investigation of this compound using magnetic X-ray or neutron diffraction would be extremely useful to verify the net distributions of moments and determine the wave vectors of each of the ordered states.
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.
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.
Anisotropic properties of spin avalanches in crystals of nanomagnets
NASA Astrophysics Data System (ADS)
Dion, C. M.; Jukimenko, O.; Modestov, M.; Marklund, M.; Bychkov, V.
2013-01-01
Anisotropy effects for spin avalanches in crystals of nanomagnets are studied theoretically with the external magnetic field applied at an arbitrary angle to the easy axis. Starting with the Hamiltonian for a single nanomagnet in the crystal, two essential quantities characterizing spin avalanches are calculated: the activation and Zeeman energies. The calculation is performed numerically for a wide range of angles and analytical formulas are derived within the limit of small angles. The anisotropic properties of a single nanomagnet lead to anisotropic behavior of the magnetic deflagration speed. Modifications of the magnetic deflagration speed are investigated for different angles between the external magnetic field and the easy axis of the crystals. Anisotropic properties of magnetic detonation are also studied, which concern, first of all, the temperature behind the leading shock and the characteristic time of spin switching in the detonation.
Uhlmann, Gunther
Oscillating-decaying solutions, Runge approximation property for the anisotropic elasticity system oscillating-decaying solutions for the general inhomogeneous anisotropic elasticity system. We also prove the Runge approximation property for the inhomo- geneous transversely isotropic elasticity system. We apply
Anisotropic wetting properties on various shape of parallel grooved microstructure.
Tie, Lu; Guo, Zhiguang; Liu, Weimin
2015-09-01
It has been revealed experimentally that some superhydrophobic surfaces in nature, such as rice leaf, show strong anisotropic wetting behavior. In this work, based on a thermodynamic approach, the effects of profile shape of parallel grooved microstructure on free energy (FE) with its barrier (FEB) and equilibrium contact angle (ECA) with its hysteresis (CAH) for various orientations of different parallel micro texture surface have been systematically investigated in detail. The results indicated that the anisotropy of wetting properties strongly depended on the specific topographical features and wetting state. In particular, a paraboloidal profile of parallel micro-texture surface is used as an important example to theoretically establish the relationship between surface geometry and anisotropic wetting behavior for optimal design, showing that the wetting behavior of the composite state is similar to that of the non-composite state and the anisotropy will possibly be appeared with the decrease of height or intrinsic contact angle of paraboloidal profile of micro texture. PMID:25982937
Anisotropic Radiation Transport Experiments on the OMEGA Laser
NASA Astrophysics Data System (ADS)
Hager, Jonathan; Lanier, Nick; Kline, John; Flippo, Kirk; Workman, Jonathan; Bruns, H. C.; Schneider, M.; Saculla, M.; McCarville, T.
2014-10-01
A new experimental platform is being developed at the OMEGA laser to generate an anisotropic radiation source to provide data that will challenge our implementation of Implicit Monte Carlo (IMC) radiation transport models. A low density silica aerogel foam physics package is mounted to a laser driven half-hohlraum. The x-ray drive from the hohlraum is modified by a filter and aperture to decrease the optical thickness of the foam and increase the source anisotropy, respectively. Point projection backlighting is used to measure the hydrodynamic response to the Marshak wave once it goes subsonic. The temperature of the driven foam can also be inferred using absorption spectroscopy when a titanium dopant is introduced. Experimental results using a Ti doped foam will be presented with analytic calculations and 2-D radiation hydrodynamic simulations demonstrating the impact of the source anisotropy on the measurable parameters in the foam. This work performed under the auspices of the U.S. Department of Energy by LANL under Contract DE-AC52-06NA25396.
Anisotropic distributions in a multi-phase transport model
You Zhou; Kai Xiao; Zhao Feng; Feng Liu; Raimond Snellings
2015-08-13
With A Multi-Phase Transport (AMPT) model we investigate the relation between the magnitude, fluctuations and correlations of the initial state spatial anisotropy $\\varepsilon_{n}$ and the final state anisotropic flow coefficients $v_{n}$ in Au+Au collisions at $\\sqrt{s_{_{\\rm NN}}}=$ 200 GeV. It is found that the relative eccentricity fluctuations in AMPT account for the observed elliptic flow fluctuations, in agreement with measurements of the STAR collaboration. In addition, the studies based on 2- and multi-particle 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 $\\varepsilon_{n}$ as well as $v_{n}$. Furthermore, the correlations between different order symmetry planes and harmonics in the initial coordinate space and final state momentum space are presented. Non-zero 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.
NASA Astrophysics Data System (ADS)
Wills, Eze Ewart
A solution method for solving particle transport problems has been developed. This solution approach embodies a finite element projection technique and a related equivalent variational Raleigh-Ritz formalism. Particle flux in the transport equation is expressed as a linear and separable sum of odd and even components in the direction variables. Then a classical variational principle is obtained and shown to be equivalent to a Bubnov-Galerkin projected solution. A dual finite element basis of polynomial splines in space and spherical harmonics in angle is used in the Bubnov -Galerkin equations. The general theoretical and numerical problem formalism is carried out in a 3-dimensional geometry with anisotropic scattering and with a piecewise constant energy dependence. This is a seven-dimensional problem with time dependence, three spatial and two angular or directional variables and with a multigroup treatment of the energy dependence. The boundary conditions for most physical problems of interest are dealt with explicitly and rigorously by a classical minimization (variational) principle. The solution method is developed as a complementary alternative to the standard solution techniques of Discrete Ordinates, Monte Carlo and the P(,n) method. The Galerkin projected operator and transport matrix are positive definite, symmetric and self-adjoint. This insures existence, uniqueness, and convergence of the solution. This formalism does not have the inherent properties which have produced the ray effect problem in discrete ordinates. The computational validation of the method was obtained by a computer solution to the air-over-ground problem. This problem is of significant interest in the areas of nuclear weapons effects and radiation physics. It is modeled in cylindrical (r,z) geometry with an exponentially varying atmosphere, anisotropic scattering, anisotropic first scatter sources, and with the air-ground interface included. Results for the air-over-ground problem are presented. These results show that this solution approach mitigates ray effects. They also show the potential of this technique to serve as a viable alternative to Discrete Ordinates and Monte Carlo. However, further work in extending the computer implementation of the method to time and energy dependent problems, and to solving and validating this technique on a larger class of particle transport problems is required.
The anisotropic compressive mechanical properties of the rabbit patellar tendon.
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
Anisotropic Structure and Transport in Self-Assembled Layered Polymer-Clay Nanocomposites
Sadoway, Donald Robert
Anisotropic Structure and Transport in Self-Assembled Layered Polymer-Clay Nanocomposites Jodie L a polymer-clay structure from a unique combination of LbL materials: poly(ethylene imine), Laponite clay transport in LbL assemblies and its correlation to structural anisotropy. Introduction Synthetic clays
The effect of anisotropic reflectance on imaging spectroscopy of snow properties
Dozier, Jeff
The effect of anisotropic reflectance on imaging spectroscopy of snow properties Thomas H. Paintera in revised form 19 September 2003; accepted 30 September 2003 Abstract How does snow's anisotropic directional reflectance affect the mapping of snow properties from imaging spectrometer data? This sensitivity
Shape-Dependent Nonlinear Optical Properties of Anisotropic Gold Nanoparticles.
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
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-Fick's prescription even in the presence of a finite pinch velocity. PMID:23848788
Strain modulated anisotropic geometric, electronic and thermoelectric properties of Black Phosphorus
Qin, Guangzhao; Yue, Sheng-Ying; Cui, Hui-Juan; Zheng, Qing-Rong; Yan, Qing-Bo; Su, Gang
2014-01-01
The anisotropic geometric, electronic, and thermoelectric (TE) properties of bulk black phosphorus (BP) with strain applied have been systematically investigated using first-principles calculations combined with semi-classical Boltzmann transport theory. The layer thickness of one single layer inside bulk BP, exhibiting maximum with a tensile strain of $4\\%$ applied, is slightly larger than that of freestanding phosphorene. The lattice constant $b$ always increase whatever compressive or tensile strain is applied along the $z$ direction, showing an unusual mechanical response with a negative Possion ratio, which may due to the hinge-like structure. The electronic properties are sensitive to strain, as an increasing compressive strain would lead to the band gap transiting from direct to indirect ($0.578 \\mathrm{GPa}$), and then to zero ($1.699 \\mathrm{GPa}$), while the tensile strain would enlarge the band gap almost linearly. When there is no strain applied, the $ZT$ value is found to be maximal along $x$ dir...
Anisotropic Elastic Resonance Scattering model for the Neutron Transport equation
Mohamed Ouisloumen; Abderrafi M. Ougouag; Shadi Z. Ghrayeb
2014-11-24
The resonance scattering transfer cross-section has been reformulated to account for anisotropic scattering in the center-of-mass of the neutron-nucleus system. The main innovation over previous implementations is the relaxation of the ubiquitous assumption of isotropic scattering in the center-of-mass and the actual effective use of scattering angle distributions from evaluated nuclear data files in the computation of the angular moments of the resonant scattering kernels. The formulas for the high order anisotropic moments in the laboratory system are also derived. A multi-group numerical formulation is derived and implemented into a module incorporated within the NJOY nuclear data processing code. An ultra-fine energy mesh cross section library was generated using these new theoretical models and then was used for fuel assembly calculations with the PARAGON lattice physics code. The results obtained indicate a strong effect of this new model on reactivity, multi-group fluxes and isotopic inventory during depletion.
Strongly anisotropic in-plane thermal transport in single-layer black
McGaughey, Alan
by exfoliating a few layers from bulk black phosphorus6,7 . Similar to graphene, black phosphorene hasStrongly anisotropic in-plane thermal transport in single-layer black phosphorene Ankit Jain & Alan-dimensional materials black phosphorene and blue phosphorene. Black phosphorene has an unprecedented thermal
Kim, Sung-Hee
2005-11-01
indicate that the vertical resilient modulus is greater than the horizontal resilient modulus and that aggregate physical properties significantly affect the anisotropic resilient behavior. Based on finite element analysis, the anisotropic resilient...
Anisotropic vanadium dioxide sculptured thin films with superior thermochromic properties
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 ?Tsol 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
Quantum transport in Dirac materials: Signatures of tilted and anisotropic Dirac and Weyl cones
NASA Astrophysics Data System (ADS)
Trescher, Maximilian; Sbierski, Björn; Brouwer, Piet W.; Bergholtz, Emil J.
2015-03-01
We calculate conductance and noise for quantum transport at the nodal point for arbitrarily tilted and anisotropic Dirac or Weyl cones. Tilted and anisotropic dispersions are generic in the absence of certain discrete symmetries, such as particle-hole and lattice point group symmetries. Whereas anisotropy affects the conductance g , but leaves the Fano factor F (the ratio of shot noise power and current) unchanged, a tilt affects both g and F . Since F is a universal number in many other situations, this finding is remarkable. We apply our general considerations to specific lattice models of strained graphene and a pyrochlore Weyl semimetal.
Calculating anisotropic physical properties from texture data using the MTEX open-source package
Cattin, Rodolphe
Calculating anisotropic physical properties from texture data using the MTEX open-source package for the calculation of physical properties of an aggregate from constituent crystal properties and the texture and teaching demonstrations. The estimation of physical properties of crystalline aggregates from
Probing Anisotropic Surface Properties of Molybdenite by Direct Force Measurements.
Lu, Zhenzhen; Liu, Qingxia; Xu, Zhenghe; Zeng, Hongbo
2015-10-27
Probing anisotropic surface properties of layer-type mineral is fundamentally important in understanding its surface charge and wettability for a variety of applications. In this study, the surface properties of the face and the edge surfaces of natural molybdenite (MoS2) were investigated by direct surface force measurements using atomic force microscope (AFM). The interaction forces between the AFM tip (Si3N4) and face or edge surface of molybdenite were measured in 10 mM NaCl solutions at various pHs. The force profiles were well-fitted with classical DLVO (Derjaguin-Landau-Verwey-Overbeek) theory to determine the surface potentials of the face and the edge surfaces of molybdenite. The surface potentials of both the face and edge surfaces become more negative with increasing pH. At neutral and alkaline conditions, the edge surface exhibits more negative surface potential than the face surface, which is possibly due to molybdate and hydromolybdate ions on the edge surface. The point of zero charge (PZC) of the edge surface was determined around pH 3 while PZC of the face surface was not observed in the range of pH 3-11. The interaction forces between octadecyltrichlorosilane-treated AFM tip (OTS-tip) and face or edge surface of molybdenite were also measured at various pHs to study the wettability of molybdenite surfaces. An attractive force between the OTS-tip and the face surface was detected. The force profiles were well-fitted by considering DLVO forces and additional hydrophobic force. Our results suggest the hydrophobic feature of the face surface of molybdenite. In contrast, no attractive force between the OTS-tip and the edge surface was detected. This is the first study in directly measuring surface charge and wettability of the pristine face and edge surfaces of molybdenite through surface force measurements. PMID:26434695
Spatial frequency analysis of anisotropic drug transport in tumor samples
NASA Astrophysics Data System (ADS)
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
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.
Anisotropic heat transport in integrable and chaotic 3-D magnetic fields
Del-Castillo-Negrete, Diego B; Blazevski, D.; Chacon, Luis
2012-01-01
A study of anisotropic heat transport in 3-D chaotic magnetic fields is presented. The approach is based on the recently proposed Lagrangian-Green s function (LG) method in Ref. [1] that allows an efficient and accurate integration of the parallel transport equation applicable to general magnetic fields with local or non-local parallel flux closures. We focus on reversed shear magnetic field configurations known to exhibit separatrix reconnection and shearless transport barriers. The role of reconnection and magnetic field line chaos on temperature transport is studied. Numerical results are presented on the anomalous relaxation of radial temperature gradients in the presence of shearless Cantori partial barri- ers. Also, numerical evidence of non-local effective radial temperature transport in chaotic fields is presented. Going beyond purely parallel transport, the LG method is generalized to include finite perpendicular diffusivity, and the problem of temperature flattening inside a magnetic island is studied.
Transport Properties of Nanocomposites
Narayanunni, Vinay
2010-07-14
, and vital information regarding the electrical properties of the fibers and fiberfiber junctions was obtained for the case of two stabilizers used during composite preparation ? Gum Arabic (GA) and Poly(3,4-ethylenedioxythiophene) poly...
Transport properties in the atmosphere of Jupiter
NASA Technical Reports Server (NTRS)
Biolsi, L., Jr.
1979-01-01
The computer program used to obtain transport properties for the Hulburt-Hirschfelder potential was tested. Transport properties for the C-C interaction were calculated. Rough estimates for transport properties for the important ablation species were obtained as well as estimates of transport properties for some of the species associated with photochemical smog. The results are discussed.
Transport properties of uranium dioxide
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.
Lin, Zhihong
with the device size, the extrapolation of the transport level from present-day experiments to future laWave-Particle Decorrelation and Transport of Anisotropic Turbulence in Collisionless Plasmas Z. Lin is the dominant mechanism responsible for electron heat transport driven by electron temperature gradient
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. PMID:26284380
NASA Astrophysics Data System (ADS)
Zheng, J.; Zhu, J.; Wang, Z.; Fang, F.; Pain, C. C.; Xiang, J.
2015-06-01
A new anisotropic hr-adaptive mesh technique has been applied to modelling of multiscale transport phenomena, 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 setup for two-dimensional (2-D) transport phenomena. Comparisons have been made between the results obtained using uniform resolution meshes and anisotropic adaptive resolution meshes.
Anisotropic Pressure, Transport, and Shielding of Magnetic Perturbations
H.E. Mynick and A.H. Boozer
2008-05-23
We compute the effect on a tokamak of applying a nonaxisymmetric magnetic perturbation ??. 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 ??. 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.
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.
Transport Properties for Combustion Modeling
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) performing more transport property measurements for mixtures that include radical species, an important but neglected area; (5) using the TRANLIB approach for treating polar molecules and (6) performing more accurate measurements of the molecular parameters used to evaluate the molecular heat capacity, since it affects thermal conductivity, which is important in predicting flame development.
The Isotropy Problem of Ultra-High Energy Cosmic Rays: The Effects of Anisotropic Transport
NASA Astrophysics Data System (ADS)
Kumar, Rahul; Eichler, David
2013-04-01
Time dependent anisotropic transport of ultra-high energy cosmic rays (UHECRs) from point-like sources in the Galaxy is calculated in various ways. To fully account for the discreteness of UHECR sources in space and time, the Monte Carlo method is used to randomly place sources in the Galaxy and calculate the anisotropy of UHECR flux, given specific realisations of source distribution. We show that reduction in the rate of cross-field transport reduces the anisotropy. However, if the crossfield transport is very small, drift of UHECRs in the Galactic magnetic field (GMF) becomes the dominant contributor to the anisotropy. Test particle simulations further illustrate the effect of drift and verify our analytical calculation. The surprisingly low anisotropy measured by Auger can be interpreted as intermittency of UHECR sources, without invoking a flat source distribution and/or a high source rate. Frequent events that follow star formation, such as hypernovae, imply an anisotropy that exceeds the Auger limit.
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 ? = X?L^{2}_{?}/X1L^{2}_{?} ? 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.
Anisotropic magnetic properties and superzone gap formation in CeGe single crystal.
Das, Pranab Kumar; Kumar, Neeraj; Kulkarni, R; Dhar, S K; Thamizhavel, A
2012-04-11
Single crystals of CeGe and its non-magnetic analog LaGe have been grown by the Czochralski method. The CeGe compound crystallizes in the orthorhombic FeB-type crystal structure with the space group Pnma (#62). The anisotropic magnetic properties have been investigated for well oriented single crystals by measuring the magnetic susceptibility, electrical resistivity and heat capacity. It has been found that CeGe orders antiferromagnetically at 10.5 K. Both transport and magnetic studies have revealed large anisotropy, reflecting the orthorhombic crystal structure. The magnetization data at 1.8 K reveal metamagnetic transitions along the [010] direction at 4.8 and 6.4 T and along the [100] direction at a critical field of 10.7 T, while the magnetization along the [001] direction increases linearly without any anomaly up to a field of 16 T. From the magnetic susceptibility and the magnetization measurements it has been found that the [010] direction is the easy axis of magnetization. The electrical resistivity along the three crystallographic directions exhibits an upturn at T(N), indicating superzone gap formation below T(N) in this compound. We have performed crystal electric field analysis on the magnetic susceptibility and the heat capacity data and found that the ground state is a doublet, and the energies of splitting from the ground state to the first and second excited doublet states were estimated to be 39 and 111 K, respectively. PMID:22418056
Monoenergetic neutral particle transport in an anisotropically scattering half-space
Ganapol, B.D.; Woolf, S.
1995-12-31
During the past several years, a considerable effort has been underway to develop reliable analytical benchmark solutions to the one-speed transport equation in various geometries. The reader may well ask {open_quotes}why{close_quotes} such a task has been undertaken, given the recent rapid advances in numerical transport theory. The simple answer is that reliable numerical solutions do not yet exist, and their development still represents a mathematical challenge. However, regardless of how mathematically challenging the development is, there are more compelling reasons for this effort which are rooted in the very fundamentals of science and technology. In particular, these solutions, which are highly accurate numerical evaluations of analytical solution representations, serve as {open_quotes}industry standards{close_quotes} to which other more approximate methods or approximations can be compared. Thus analytical benchmarks are part of the process control and continuous improvement of numerical transport methods and are therefore integral components in TQM (Total Quality Management) as applied to transport methods development. With the above reasoning in mind, the authors begin the development and application of a new analytical solution and evaluation for a half-space featuring anisotropic scattering. This work is an extension of previous efforts in which isotropically scattering half-spaces were treated. The previous benchmarks were obtained most conveniently via a numerical Laplace transform inversion which could be applied in a straightforward manner to the case of isotropic scattering. The application of the Laplace transform method is problematical for anisotropic scattering and does not admit to the direct identification of the scalar flux from integral transport theory.
Anisotropic effective-medium modeling of the elastic properties of shales
Hornby, B.E. Bullard Labs., Cambridge . Dept. of Earth Sciences); Schwartz, L.M. ); Hudson, J.A. )
1994-10-01
Shales are complex porous materials, normally consisting of percolating and interpenetrating fluid and solid phases. The solid phase is generally comprised of several mineral components and forms an intricate and anisotropic microstructure. The shape, orientation, and connection of the two phases control the anisotropic elastic properties of the composite solid. The authors develop a theoretical framework that allows one to predict the effective elastic properties of shales. Its usefulness is demonstrated with numerical modeling and by comparison with established ultrasonic laboratory experiments. The theory is based on a combination of anisotropic formulations of the self-consistent (SCA) and differential effective-medium (DEM) approximations. This combination guarantees that both the fluid and solid phases percolate at all porosities. The modeling of the elastic properties of shales proceeds in four steps. First, the authors consider the case of an aligned biconnected clay-fluid composite composed of ellipsoidal inclusions. Anisotropic elastic constants are estimated for a clay-fluid composite as a function of the fluid-filled porosity and the aspect ratio of the inclusions. Second, a new processing technique is developed to estimate the distribution of clay platelet orientations from digitized scanning electron microphotographs (SEM). Third, the derived clay platelet distribution is employed to estimate the effective elastic parameters of a solid comprising clay-fluid composites oriented at different angles. Finally, silt minerals are included in the calculations as isolated spherical inclusions.
Khattab, K.M.
1997-02-01
The diffusion synthetic acceleration (DSA) method has been known to be an effective tool for accelerating the iterative solution of transport equations with isotropic or mildly anisotropic scattering. However, the DSA method is not effective for transport equations that have strongly anisotropic scattering. A generalization of the modified DSA (MDSA) method is proposed that converges (clock time) faster than the MDSA method. This method is developed, the results of a Fourier analysis that theoretically predicts its efficiency are described, and numerical results that verify the theoretical prediction are presented.
Magnetic properties of electrons confined in an anisotropic cylindrical potential
NASA Astrophysics Data System (ADS)
Nedelkoski, Zlatko; Petreska, Irina
2014-11-01
In the present paper a theoretical model, describing the effects of external electric and magnetic fields on an electron confined in an anisotropic parabolic potential, is considered. The exact wave functions are used to calculate electron current and orbital magnetic dipole momentum for the single electron. Exact expressions, giving the force and energy of the dipole-dipole interaction, are also determined. Further, the system is coupled to a heat bath, and mean values and fluctuations of the magnetic dipole momentum, utilizing the canonical ensemble are calculated. Influences of the temperature, as well as the external magnetic field, expressed via the Larmor frequency are analyzed. We also include the dependencies of the magnetic dipole momentum and its fluctuations on the effective mass of the electron, considering some experimental values for low-dimensional systems, that are extensively studied for various applications in electronics. Our results suggest that the average momentum or its fluctuations are strongly related to the effective mass of the electron. Having on mind that parabolically shaped potentials have very wide area of application in the low-dimensional systems, such as quantum dots and rings, carbon nanotubes, we believe that the proposed model and the consequent analysis is of general importance, since it offers exact analytical approach.
Multimodel analysis of anisotropic diffusive tracer-gas transport in a deep arid unsaturated zone
NASA Astrophysics Data System (ADS)
Green, Christopher T.; Walvoord, Michelle A.; Andraski, Brian J.; Striegl, Robert G.; Stonestrom, David A.
2015-08-01
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.
Qian Chen
2008-08-18
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.
Landau levels and magneto-transport property of monolayer phosphorene.
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
Landau levels and magneto-transport property of monolayer phosphorene
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
Landau levels and magneto-transport property of monolayer phosphorene
NASA Astrophysics Data System (ADS)
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
2015-07-01
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.
Synthetic acceleration methods for linear transport problems with highly anisotropic scattering
Khattab, K.M.
1989-01-01
One of the iterative methods which is used to solve the discretized transport equation is called the Source Iteration Method (SI). The SI method converges very slowly for problems with optically thick regions and scattering ratios ({sigma}{sub s}/{sigma}{sub t}) near unity. The Diffusion-Synthetic Acceleration method (DSA) is one of the methods which has been devised to improve the convergence rate of the SI method. The DSA method is a good tool to accelerate the SI method, if the particle which is being dealt with is a neutron. This is because the scattering process for neutrons is not severely anisotropic. However, if the particle is a charged particle (electron), DSA becomes ineffective as an acceleration device because here the scattering process is severely anisotropic. To improve the DSA algorithm for electron transport, the author approaches the problem in two different ways in this thesis. He develops the first approach by accelerating more angular moments ({phi}{sub 0}, {phi}{sub 1}, {phi}{sub 2}, {phi}{sub 3},...) than is done in DSA; he calls this approach the Modified P{sub N} Synthetic Acceleration (MPSA) method. In the second approach he modifies the definition of the transport sweep, using the physics of the scattering; he calls this approach the Modified Diffusion Synthetic Acceleration (MDSA) method. In general, he has developed, analyzed, and implemented the MPSA and MDSA methods in this thesis and has shown that for a high order quadrature set and mesh widths about 1.0 cm, they are each about 34 times faster (clock time) than the DSA method. Also, he has found that the MDSA spectral radius decreases as the mesh size increases. This makes the MDSA method a better choice for large spatial meshes.
Repeat-proteins films exhibit hierarchical anisotropic mechanical properties.
Carter, Nathan A; Grove, Tijana Zarkovic
2015-03-01
Complex hierarchical structures provide beneficial structure-property relationships that can be exploited for a variety of applications in engineering and biomedical fields. Here we report on molecular organization and resulting mechanical properties of self-assembled designed repeat-protein films. Wide-angle X-ray diffraction indicates the designed 18-repeat concensus tetratricopeptide repeat protein (CTPR18) orients normal to the casting surface, while small-angle measurements and electron microscopy show a through-plane transversely aligned laminar sheet-like morphology. Self-assembly is driven by the combination of CTPRs head-to-tail stacking and weak dipole-dipole interactions. We highlight the effect that this hierarchical structure has on the material's mechanical properties. We use nanoindentation and dynamic mechanical analysis to test the mechanical properties over multiple length scales, from the molecular level to the bulk. We find that morphology predictably affects the film's mechanics from the nano- to the macroscale, with the axial modulus values ranging from 2 to 5 GPa. The predictable nature of the structure-property relationship of CTPR proteins and their assemblies proves them a promising platform for material engineering. PMID:25642726
Picosecond Acoustic Measurement of Anisotropic Properties of Thin Films
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.
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.
Anisotropic Thermal Properties of Single-Wall Carbon Nanotube Reinforced Nanoceramics
Zhan, Guodong; Kuntz, Joshua D.; Wang, Hsin; Wang, Chong M.; Mukherjee, Amiya K.
2004-07-01
Dense single-wall carbon nanotube (SWCNT) reinforced alumina nanocomposites have been fabricated by novel spark-plasma-sintering (SPS) technique. Anisotropic thermal properties have been found in the carbon nanotube composites. The introduction of ropes of SWCNT gives rise to a decrease of the transverse thermal diffusivity with increasing carbon nanotube content while it does not change the in-plane thermal diffusivity. This is scientifically interesting and technologically important for the development of materials for novel thermal barrier coatings.
The effect of anisotropic heat transport on magnetic islands in 3-D configurations
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.
Measurement of anisotropic energy transport in flowing polymers by using a holographic technique
Schieber, Jay D.; Venerus, David C.; Bush, Kendall; Balasubramanian, Venkat; Smoukov, Stoyan
2004-01-01
Almost no experimental data exist to test theories for the nonisothermal flow of complex fluids. To provide quantitative tests for newly proposed theories, we have developed a holographic grating technique to study energy transport in an amorphous polymer melt subject to flow. Polyisobutylene with weight-averaged molecular mass of 85 kDa is sheared at a rate of 10 s–1, and all nonzero components of the thermal conductivity tensor are measured as a function of time, after cessation. Our results are consistent with proposed generalizations to the energy balance for microstructural fluids, including a generalized Fourier's law for anisotropic media. The data are also consistent with a proposed stress-thermal rule for amorphous polymer melts. Confirmation of the universality of these results would allow numerical modelers to make quantitative predictions for the nonisothermal flow of polymer melts. PMID:15340152
Anisotropic magnetic properties and crystal electric field studies on CePd2Ge2 single crystal.
Maurya, Arvind; Kulkarni, R; Dhar, S K; Thamizhavel, A
2013-10-30
The anisotropic magnetic properties of the antiferromagnetic compound CePd2Ge2, crystallizing in the tetragonal crystal structure have been investigated in detail on a single crystal grown by the Czochralski method. From the electrical transport, magnetization and heat capacity data, the Néel temperature is confirmed to be 5.1 K. Anisotropic behaviour of the magnetization and resistivity is observed along the two principal crystallographic directions-namely, [100] and [001]. The isothermal magnetization measured in the magnetically ordered state at 2 K exhibits a spin reorientation at 13.5 T for the field applied along the [100] direction, whereas the magnetization is linear along the [001] direction attaining a value of 0.94 ?(B)/Ce at 14 T. The reduced value of the magnetization is attributed to the crystalline electric field (CEF) effects. A sharp jump in the specific heat at the magnetic ordering temperature is observed. After subtracting the phononic contribution, the jump in the heat capacity amounts to 12.5 J K(-1)mol(-1) which is the expected value for a spin ½ system. From the CEF analysis of the magnetization data the excited crystal field split energy levels were estimated to be at 120 K and 230 K respectively, which quantitatively explains the observed Schottky anomaly in the heat capacity. A magnetic phase diagram has been constructed based on the field dependence of magnetic susceptibility and the heat capacity data. PMID:24097258
Characterising the Anisotropic Mechanical Properties of Excised Human Skin
Aisling Ni Annaidh; Karine Bruyere; Michel Destrade; Michael D. Gilchrist; Melanie Ottenio
2013-02-13
The mechanical properties of skin are important for a number of applications including surgery, dermatology, impact biomechanics and forensic science. In this study we have investigated the influence of location and orientation on the deformation characteristics of 56 samples of excised human skin. Uniaxial tensile tests were carried out at a strain rate of 0.012s$^{-1}$ on skin from the back. Digital Image Correlation was used for 2D strain measurement and a histological examination of the dermis was also performed. The mean ultimate tensile strength (UTS) was 21.6$\\pm$8.4MPa, the mean failure strain 54$\\pm$17%, the mean initial slope 1.18$\\pm$0.88MPa, the mean elastic modulus 83.3$\\pm$34.9MPa and the mean strain energy was 3.6$\\pm$1.6MJ/m$^3$. A multivariate analysis of variance has shown that these mechanical properties of skin are dependent upon the orientation of Langer lines (P$skin using a structural constitutive model.
Anisotropic compressive properties of passive porcine muscle tissue.
Pietsch, Renee; Wheatley, Benjamin B; Haut Donahue, Tammy L; Gilbrech, Ryan; Prabhu, Rajkumar; Liao, Jun; Williams, Lakiesha N
2014-11-01
The body has approximately 434 muscles, which makes up 40-50% of the body by weight. Muscle is hierarchical in nature and organized in progressively larger units encased in connective tissue. Like many soft tissues, muscle has nonlinear visco-elastic behavior, but muscle also has unique characteristics of excitability and contractibility. Mechanical testing of muscle has been done for crash models, pressure sore models, back pain, and other disease models. The majority of previous biomechanical studies on muscle have been associated with tensile properties in the longitudinal direction as this is muscle's primary mode of operation under normal physiological conditions. Injury conditions, particularly high rate injuries, can expose muscle to multiple stress states. Compressive stresses can lead to tissue damage, which may not be reversible. In this study, we evaluate the structure-property relationships of porcine muscle tissue under compression, in both the transverse and longitudinal orientations at 0.1?s-1, 0.01?s-1, or 0.001?s-1. Our results show an initial toe region followed by an increase in stress for muscle in both the longitudinal and transverse directions tested to 50% strain. Strain rate dependency was also observed with the higher strain rates showing significantly more stress at 50% strain. Muscle in the transverse orientation was significantly stiffer than in the longitudinal orientation indicating anisotropy. The mean area of fibers in the longitudinal orientation shows an increasing mean fiber area and a decreasing mean fiber area in the transverse orientation. Data obtained in this study can help provide insight on how muscle injuries are caused, ranging from low energy strains to high rate blast events, and can also be used in developing computational injury models. PMID:25068816
NASA Astrophysics Data System (ADS)
Churochkin, Dmitry; Bhattacharyya, Somnath
2012-12-01
We show strong evidence of superlattice-like carbon layered structures in heavily nitrogen-doped ultrananocrystalline diamond (UNCD) films through the experimental demonstration of temperature-dependent anisotropic diffusive transport. The superlattice periodicity, in the range of several nanometers, is derived from the analysis of both magneto-resistance and the temperature-dependent conductivity based on the generalized diffusive Fermi surface model. The effect of quasi-two-dimensionality on the magneto-transport of these films yields a weak temperature dependence of the electron dephasing length. These results explain a reasonably strong coupling between the conducting carbon layers separated by the insulating nanodiamond grains producing the anisotropic transport in UNCD films controlled by the level of nitrogen incorporation.
TRANSPORT PROPERTY MEASUREMENTS OF HFC-236EA
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/lubri...
TRANSPORT PROPERTY MEASUREMENTS OF HFC-236EA
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...
Optical Properties of Anisotropic Polycrystalline Ce(+3) activated LSO.
Roy, Sudesna; Lingertat, Helmut; Brecher, Charles; Sarin, Vinod
2013-03-01
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 10(3). 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
Optical Properties of Anisotropic Polycrystalline Ce+3 activated LSO
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
NASA Astrophysics Data System (ADS)
Miller, Steven
1998-03-01
A generic stochastic method is presented that rapidly evaluates numerical bulk flux solutions to the one-dimensional integrodifferential radiative transport equation, for coherent irradiance of optically anisotropic suspensions of nonspheroidal bioparticles, such as blood. As Fermat rays or geodesics enter the suspension, they evolve into a bundle of random paths or trajectories due to scattering by the suspended bioparticles. Overall, this can be interpreted as a bundle of Markov trajectories traced out by a "gas" of Brownian-like point photons being scattered and absorbed by the homogeneous distribution of uncorrelated cells in suspension. By considering the cumulative vectorial intersections of a statistical bundle of random trajectories through sets of interior data planes in the space containing the medium, the effective equivalent information content and behavior of the (generally unknown) analytical flux solutions of the radiative transfer equation rapidly emerges. The fluxes match the analytical diffuse flux solutions in the diffusion limit, which verifies the accuracy of the algorithm. The method is not constrained by the diffusion limit and gives correct solutions for conditions where diffuse solutions are not viable. Unlike conventional Monte Carlo and numerical techniques adapted from neutron transport or nuclear reactor problems that compute scalar quantities, this vectorial technique is fast, easily implemented, adaptable, and viable for a wide class of biophotonic scenarios. By comparison, other analytical or numerical techniques generally become unwieldy, lack viability, or are more difficult to utilize and adapt. Illustrative calculations are presented for blood medias at monochromatic wavelengths in the visible spectrum.
Monte Carlo inversion of ultrasonic array data to map anisotropic weld properties.
Zhang, Jie; Hunter, Alan; Drinkwater, Bruce W; Wilcox, Paul D
2012-11-01
The quality of an ultrasonic array image depends on accurate information about its acoustic properties. Inaccurate acoustic properties can cause image degradation such as blurring, mislocation of reflectors, and the introduction of artifacts. In this paper, for the specific case of an inhomogeneous and anisotropic austenitic steel weld, Monte Carlo Markov Chain (MCMC) inversion is used to estimate unknown acoustic properties from array data. The approach uses active beacons that transmit ultrasound through the anisotropic weld; the ultrasound is then captured by a receiving array. A forward model of the ultrasonic array data is then optimized with respect to the experimental data using an MCMC inversion. The result of this process is the extraction of a material property map that describes the anisotropy distribution within the weld region. These extracted material properties are then used within an imaging algorithm-the total focusing method in this paper-to produce autofocused images. This MCMC inversion approach is first applied to simulated data to test the convergence, robustness, and accuracy of the method and its implementation. The extracted weld map is used to show improved imaging of defects within the weld, relative to an image formed assuming a constant velocity. Finally, the MCMC inversion approach is used on experimental data from a 110-mm-thick steel plate containing an austenitic weld. Here the extracted weld map is used to show that defect location errors of greater than 5 mm are reduced to around 2 mm when the extracted weld map is used. PMID:23192812
Anisotropic Spin Transport and Strong Visible-Light Absorbance in Few-Layer SnSe and GeSe.
Shi, Guangsha; Kioupakis, Emmanouil
2015-10-14
SnSe and GeSe are layered compound semiconductors that can be exfoliated to form two-dimensional materials. In this work, we use predictive calculations based on density functional and many-body perturbation theory to study the electronic and optical properties of single-layer, double-layer, and bulk SnSe and GeSe. The fundamental band gap is direct in single-layer and double-layer GeSe, but indirect in single-layer and double-layer SnSe. Moreover, the interplay of spin-orbit coupling and lack of inversion symmetry in the monolayer structures results in anisotropic spin splitting of the energy bands, with potential applications in directionally dependent spin transport. We also show that single-layer and double-layer SnSe and GeSe exhibit unusually strong optical absorbance in the visible range. Our results suggest that single-layer and double-layer SnSe and GeSe are promising materials for ultrathin-film photovoltaic applications with theoretical upper bounds to the conversion efficiency that approach the efficiency records realized in organic and dye-sensitized solar cells. PMID:26393677
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.
NASA Astrophysics Data System (ADS)
Gillman, A.; Matouš, K.; Atkinson, S.
2013-02-01
In this paper, a systematic method is presented for developing microstructure-statistics-property relations of anisotropic polydisperse particulate composites using microcomputer tomography (micro-CT). Micro-CT is used to obtain a detailed three-dimensional representation of polydisperse microstructures, and an image processing pipeline is developed for identifying particles. In this work, particles are modeled as idealized shapes in order to guide the image processing steps and to provide a description of the discrete micro-CT data set in continuous Euclidean space. n-point probability functions used to describe the morphology of mixtures are calculated directly from real microstructures. The statistical descriptors are employed in the Hashin-Shtrikman variational principle to compute overall anisotropic bounds and self-consistent estimates of the thermal-conductivity tensor. We make no assumptions of statistical isotropy nor ellipsoidal symmetry, and the statistical description is obtained directly from micro-CT data. Various mixtures consisting of polydisperse ellipsoidal and spherical particles are prepared and studied to show how the morphology impacts the overall anisotropic thermal-conductivity tensor.
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.
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-? 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.
Tan, Yang; Shyam, Amit; Choi, Wanhuk Brian; Lara-Curzio, Edgar; Sampath, Sanjay
2010-01-01
The determination of elastic properties of plasma-sprayed ceramic and metallic coatings is difficult due to their complex microstructure, which involves a myriad array of pores, interfaces and other defects. Furthermore, the splat-based build-up of the coating results in transverse anisotropy in the elastic properties. In this paper, we report on the anisotropic elastic properties of these coatings determined by resonant ultrasound spectroscopy (RUS). This approach along with the analysis presented enables, for the first time, the determination of elastic properties as a function of direction and temperature for these complex systems with concomitant implications for design. The coating systems investigated included plasma-sprayed yttria-stabilized zirconia (YSZ) and nickel. An additional nickel coating deposited by high-velocity oxygen-fuel process was investigated and its elastic properties were compared to those of plasma-sprayed nickel. Average Young s moduli of the coatings were independently measured by using the instrumented indentation method. The elastic properties determined from the RUS and indentation methodologies allowed description of the microstructure elastic property relationships in the coatings.
Transport properties of alumina nanofluids.
Wong, Kau-Fui Vincent; Kurma, Tarun
2008-08-27
Recent studies have showed that nanofluids have significantly greater thermal conductivity compared to their base fluids. Large surface area to volume ratio and certain effects of Brownian motion of nanoparticles are believed to be the main factors for the significant increase in the thermal conductivity of nanofluids. In this paper all three transport properties, namely thermal conductivity, electrical conductivity and viscosity, were studied for alumina nanofluid (aluminum oxide nanoparticles in water). Experiments were performed both as a function of volumetric concentration (3-8%) and temperature (2-50?°C). Alumina nanoparticles with a mean diameter of 36 nm were dispersed in water. The effect of particle size was not studied. The transient hot wire method as described by Nagaska and Nagashima for electrically conducting fluids was used to test the thermal conductivity. In this work, an insulated platinum wire of 0.003 inch diameter was used. Initial calibration was performed using de-ionized water and the resulting data was within 2.5% of standard thermal conductivity values for water. The thermal conductivity of alumina nanofluid increased with both increase in temperature and concentration. A maximum thermal conductivity of 0.7351 W m(-1) K(-1) was recorded for an 8.47% volume concentration of alumina nanoparticles at 46.6?°C. The effective thermal conductivity at this concentration and temperature was observed to be 1.1501, which translates to an increase in thermal conductivity by 22% when compared to water at room temperature. Alumina being a good conductor of electricity, alumina nanofluid displays an increasing trend in electrical conductivity as volumetric concentration increases. A microprocessor-based conductivity/TDS meter was used to perform the electrical conductivity experiments. After carefully calibrating the conductivity meter's glass probe with platinum tip, using a standard potassium chloride solution, readings were taken at various volumetric concentrations. A 3457.1% increase in the electrical conductivity was measured for a small 1.44% volumetric concentration of alumina nanoparticles in water. The highest value of electrical conductivity, 314 µS cm(-1), was recorded for a volumetric concentration of 8.47%. In the determination of the kinematic viscosity of alumina nanofluid, a standard kinematic viscometer with constant temperature bath was used. Calibrated capillary viscometers were used to measure flow under gravity at precisely controlled temperatures. The capillary viscometers were calibrated with de-ionized water at different temperatures, and the resulting kinematic viscosity values were found to be within 3% of the standard published values. An increase of 35.5% in the kinematic viscosity was observed for an 8.47% volumetric concentration of alumina nanoparticles in water. The maximum kinematic viscosity of alumina nanofluid, 2.901?42 mm(2) s(-1), was obtained at 0?°C for an 8.47% volumetric concentration of alumina nanoparticles. The experimental results of the present work will help researchers arrive at better theoretical models. PMID:21730657
Impact of magnetic properties on the Casimir torque between anisotropic metamaterial plates
Deng Gang; Liu Zhongzhu; Luo Jun
2009-12-15
The quantized surface mode technique is used to calculate the Casimir torque between two parallel anisotropic metamaterial plates with in-plane optical axes, and our main concern is focused on the impact of the magnetic properties of the plates on the Casimir torque. Our result shows that at small separation, the Casimir torque between the two plates with frequency dependent permeabilities is larger than that between two nonmagnetic plates, while at large separation it is smaller. This can be explained as a result of the impact of both magnetic properties and material dispersion of the plates. The impact of the Drude background in connected metallic metamaterial is also discussed. These phenomena provide us with new understanding about the Casimir effect and show great potential in application.
NASA Astrophysics Data System (ADS)
Sun, Hong-xiang; Zhang, Shu-yi; Xia, Jian-ping
2015-06-01
The propagation characteristics of laser-generated Rayleigh waves in coating-substrate structures with anisotropic and viscoelastic properties have been investigated quantitatively. Based on the plane strain theory, finite element models for simulating laser-generated Rayleigh waves in coating-substrate structures are established, in which the carbon fiber-reinforced epoxy matrix composite and aluminum are used as the coating and/or the substrate alternately. The numerical results exhibit that the characteristics of the laser-generated Rayleigh waves, including attenuation, velocity, and dispersion, are mainly and closely related to the anisotropic and viscoelastic properties of the composite in the coating-substrate structures.
NASA Astrophysics Data System (ADS)
Lu, Wanglin; Ma, Xiaomeng; Fei, Zhen; Zhou, Jianguang; Zhang, Zhiyong; Jin, Chuanhong; Zhang, Ze
2015-07-01
In this study, we correlated the angular dependence of the Raman response of black phosphorus to its crystallographic orientation by using transmission electron microscopy and Raman spectroscopy. It was found that the intensity of the Ag 2 mode reached a maximum when the polarization direction of the incident light was parallel to the zigzag crystallographic orientation. Notably, it was further confirmed that the zigzag crystallographic direction exhibited superior conductance and carrier mobility. Because of the lattice extension along the armchair direction, an intensification of the anisotropic Raman response was observed. This work provides direct evidence of the correlation between anisotropic properties and crystallographic direction and represents a turning point in the discussion of the angular-dependent electronic properties of black phosphorus.
Chen, D. P.; Wang, Xiaolin; Dou, S. X.; Lin, C. T.
2007-10-01
Large single crystals of {alpha}-Na{sub x}CoO{sub 2} (x=0.91, 0.92, and 0.93) have been successfully fabricated by using the traveling solvent floating zone method. Details on the crystal growth are discussed. The crystal structures were characterized using powder x-ray diffraction and Rietveld refinement. The magnetic susceptibility measurements show that the magnetic properties depend strongly on x. The compound was found to be antiferromagnetic at T{sub N}{approx_equal}20 K for x=0.91 and x=0.92, and paramagnetic for x=0.93. The in-plane and out-of-plane anisotropies were observed for the x=0.91 crystals. In addition, the derived anisotropic g-factor ratios (g{sub ab}/g{sub c}) from the anisotropic susceptibility along H parallel ab and H parallel c decreased significantly as the sodium composition increased from x=0.91 to x=0.93.
NASA Astrophysics Data System (ADS)
Lovinger, Andrew J.; Bao, Zhenan; Chen, X. Linda
2001-03-01
There has been great progress and interest recently in polymeric and organic light-emitting diodes (LEDs) and field-effect transistors (FETs) for ``plastic electronics". These hold promise for versatile, low-cost applications such as electronic price tags, disposable cell phones, and flexible computer screens (2). We have obtained anisotropic electrical properties for such LEDs and FETs by deposition of the active materials on aligned polymeric or organic substrates. These could be polytetrafluoroethylene (PTFE) or the same compounds as the electrically active layers. The LED materials consist of poly(p-phenylene vinylene)s with a large variety of dendritic side chains, which we have synthesized and characterized, while the FET materials are sexithienyl, sexiphenyl, pentacene, and a number of phthalocyanines. The resulting morphologies, examined by transmission electron microscopy, electron diffraction, and atomic-force microscopy, exhibit high orientations of the deposited materials. In addition, many of these materials adopt additional remarkable morphologies such as edge-on crystallites with or without twinning about the direction of molecular alignment. As a result of their special morphologies, films prepared in this manner exhibit polarized absorption and luminescence with dichroic ratios around 5 or anisotropic carrier mobilities with ratios greater than 15. (1) Now at Infineon Technologies (2) Nature, 407, 442 (2000)
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.
Electronic, transport, and optical properties of bulk and mono-layer PdSe2
NASA Astrophysics Data System (ADS)
Sun, Jifeng; Shi, Hongliang; Siegrist, Theo; Singh, David J.
2015-10-01
The electronic and optical properties of bulk and monolayer PdSe2 are investigated using first-principles 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 ?V/K) for both p- and n-type up to high doping level (˜2 × 1013 cm-2) with an anisotropic character in an electrical conductivity suggesting better thermoelectric performance along y direction in the plane.
J Park; J Li; G Divoux; L Madsen; R Moore
2011-12-31
Relations between morphology and transport sensitively govern proton conductivity in perfluorsulfonate ionomers (PFSIs) and thus determine useful properties of these technologically important materials. In order to understand such relations, we have conducted a broad systematic study of H{sup +}-form PFSI membranes over a range of uniaxial extensions and water uptakes. On the basis of small-angle X-ray scattering (SAXS) and {sup 2}H NMR spectroscopy, uniaxial deformation induces a strong alignment of ionic domains along the stretching direction. We correlate ionic domain orientation to transport using pulsed-field-gradient {sup 1}H NMR measurements of water diffusion coefficients along the three orthogonal membrane directions. Intriguingly, we observe that uniaxial deformation enhances water transport in one direction (parallel-to-draw direction) while reducing it in the other two directions (two orthogonal directions relative to the stretching direction). We evaluate another important transport parameter, proton conductivity, along two orthogonal in-plane directions. In agreement with water diffusion experiments, orientation of ionic channels increases proton conduction along the stretching direction while decreasing it in the perpendicular direction. These findings provide valuable fodder for optimal application of PFSI membranes as well as for the design of next generation polymer electrolyte membranes.
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 ?, just above Tc, is 73 mJ/mol K2; the Debye temperature ?D is 220 K. As a result, the specific heat jump at the superconducting transition ?C~2.2?Tc. Finally, for hydrostatic pressures up to ~7 kbar, Tc decreases under pressure linearly at a rate of –0.034K/kbar.« less
Exact analysis of the spectral properties of the anisotropic two-bosons Rabi model
Shuai Cui; Jun-Peng Cao; Luigi Amico; Heng Fan
2015-06-22
We introduce the anisotropic two-photon Rabi model in which the rotating and counter rotating terms enters along with two different coupling constants. Eigenvalues and eigenvectors are studied with exact means. We employ a variation of the Braak method based on Bogolubov rotation of the underlying $su(1,1)$ Lie algebra. Accordingly, the spectrum is provided by the analytical properties of a suitable meromorphic function. Our formalism applies to the two-modes Rabi model as well, sharing the same algebraic structure of the two-photon model. Through the analysis of the spectrum, we discover that the model displays a first order and a parity symmetry breaking quantum phase transitions as the spin-boson coupling strength is varied.
Graphene aerogel/epoxy composites with exceptional anisotropic structure and properties.
Wang, Zhenyu; Shen, Xi; Akbari Garakani, Mohammad; Lin, Xiuyi; Wu, Ying; Liu, Xu; Sun, Xinying; Kim, Jang-Kyo
2015-03-11
3D interconnected graphene aerogels (GAs) are prepared through one-step chemical reduction and rational assembly of graphene oxide (GO) sheets, so that the difficulties to uniformly disperse the individual graphene sheets in the polymer matrixes are avoided. Apart from ultralow density, high porosity, high electrical conductivity, and excellent compressibility, the resulting GAs possess a cellular architecture with a high degree of alignment when the graphene content is above a threshold, ?0.5 wt %. The composites prepared by infiltrating GA with epoxy resin present excellent electrical conductivities, together with high mechanical properties and fracture toughness. The unusual anisotropic structure gives rise to ?67% and ?113% higher electrical conductivity and fracture toughness of the composites, respectively, in the alignment direction than that transverse to it. PMID:25691257
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.
Anisotropic electrical properties of thermal spray coatings: The role of splat-boundary interfaces
NASA Astrophysics Data System (ADS)
Sharma, Atin
A thermal spray coating is an assemblage of splats which are considered the building-blocks of the coating. Apart from the properties of the splats themselves, the physical properties of the coatings are strongly influenced by the nature of the regions between splats, the so-called splat-boundary (SB) interfaces. This dissertation is primarily an investigation of the role of SB interfaces in determining the properties of thermal spray coatings vis-a-vis processing conditions and post-process heat-treatments. The effect of process dependent differences in the nature of the SB interfaces and subsequent effects on coating properties was studied in Ni-5 wt %Al coatings made by different thermal spray processes. Measurement of in-plane and through-thickness electrical resistivities revealed the anisotropic nature of the coatings with anisotropies ranging from 1.1 to 2.2 across the processes. These results combined with the information on coating microstructures and chemical compositions showed the significant role of SBs in determining electrical behavior. These results also showed that electrical measurements could be used as a sensitive tool for microstructurel characterization. The effect of post-process heat-treatments was studied in plasma-sprayed TiO2 coatings which were subjected to a well-designed time-temperature scheme of air-annealing. Direct-current resistivity measurements in-plane and through-thickness of the coatings as a function of annealing time and temperature showed remarkably large anisotropies of up to 105. Impedance spectroscopy of the specimens coupled with microstructurel analysis revealed the relationship of this anisotropy with the SB interfaces: Due to rapid quenching, the high temperature deoxidation state is preserved in the SBs making them more conductive than the bulk of the splat in the as-sprayed coating. Upon annealing in air, the SBs get selectively oxidized due to faster surface diffusion of oxygen and become more insulating. This behavior of SBs, together with the layered morphology of plasma sprayed coatings results in anisotropic properties. Another aspect of the sprayed coatings is the thickness dependence of electrical resistivity which was observed in metallic coatings made of many different materials. A detailed analysis of this thickness dependence of resistivity in plasma-sprayed molybdenum coatings showed that this unusual effect is a percolation-conduction phenomenon associated with the evolution of porosity with thickness.
Coupled light transport-heat diffusion model for laser dosimetry with dynamic optical properties
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.
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 ? 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.).
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 ?31 is larger than ?12, where ?ijrelates 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 always larger than QS-1. This inequality was also found for the fractured shale using different fluids (water, oil) on the fracture surface. A high-viscosity fluid decreases QP-1 and QS-1 in both (orthogonal and parallel to the bedding) directions, and the QP-1 to QS-1 ratio decreases with the increase of fluid viscosity.
Transport properties of binary salt polymer electrolytes
NASA Astrophysics Data System (ADS)
Doeff, M. M.; Edman, L.; Sloop, S. E.; Kerr, J.; De Jonghe, L. C.
Transport properties (ionic conductivities ( ?), salt diffusion coefficients ( Ds), and cationic transference numbers ( t+0)) as a function of salt concentration ( Cs) are reported and compared for several common binary salt/polymer systems being considered for use as electrolytes in rechargeable lithium batteries for electric vehicle and other applications. The three properties provide a complete description of transport in solid polymer electrolytes (SPEs) or "dry" systems in cells undergoing galvanostatic charge and discharge. The macroscopic approach used obviates the need to know the details of speciation in these non-ideal solutions and allows for a more sophisticated correlation of the characteristics of ion transport with polymer structure, salt type, and concentration than conductivity data alone.
Electronic and transport properties of phosphorene nanoribbons
NASA Astrophysics Data System (ADS)
Wu, Qingyun; Shen, Lei; Yang, Ming; Cai, Yongqing; Huang, Zhigao; Feng, Yuan Ping
2015-07-01
By combining density functional theory and nonequilibrium Green's function, we study the electronic and transport properties of monolayer black phosphorus nanoribbons (PNRs). First, we investigate the band gap of PNRs and its modulation by the ribbon width and an external transverse electric field. Our calculations indicate a giant Stark effect in PNRs, which can switch on transport channels of semiconducting PNRs under low bias, inducing an insulator-metal transition. Next, we study the transport channels in PNRs via the calculations of the current density and local electron transmission pathway. In contrast to graphene and MoS2 nanoribbons, the carrier transport channels under low bias are mainly located in the interior of both armchair and zigzag PNRs, and immune to a small amount of edge defects. Last, a device of the PNR-based dual-gate field-effect transistor, with high on/off ratio of 103, is proposed based on the giant electric-field tuning effect.
Transport properties in resonant tunneling heterostructures
Presilla, C.; Sjoestrand, J.
1996-10-01
An adiabatic approximation in terms of instantaneous resonances to study the steady-state and time-dependent transport properties of interacting electrons in biased resonant tunneling heterostructures is used. This approach leads, in a natural way, to a transport model of large applicability consisting of reservoirs coupled to regions where the system is described by a nonlinear Schr{umlt o}dinger equation. From the mathematical point of view, this work is nonrigorous but may offer some fresh and interesting problems involving semiclassical approximation, adiabatic theory, nonlinear Schr{umlt o}dinger equations, and dynamical systems. {copyright} {ital 1996 American Institute of Physics.}
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.
Length-dependence of flexural rigidity as a result of anisotropic elastic properties of microtubules
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.
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.
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.
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.
Sansalone, V; Naili, S; Bousson, V; Bergot, C; Peyrin, F; Zarka, J; Laredo, J D; Haïat, G
2010-07-20
Cortical bone is a multiscale composite material. Its elastic properties are anisotropic and heterogeneous across its cross-section, due to endosteal bone resorption which might affect bone strength. The aim of this paper was to describe a homogenization method leading to the estimation of the variation of the elastic coefficients across the bone cross-section and along the bone longitudinal axis. The method uses the spatial variations of bone porosity and of the degree of mineralization of the bone matrix (DMB) obtained from the analysis of 3-D synchrotron micro-computed tomography images. For all three scales considered (the foam (100 nm), the ultrastructure (5 microm) and the mesoscale (500 microm)), the elastic coefficients were determined using the Eshelby's inclusion problem. DMB values were used at the scale of the foam. Collagen was introduced at the scale of the ultrastructure and bone porosity was introduced at the mesoscale. The pores were considered as parallel cylinders oriented along the bone axis. Each elastic coefficient was computed for different regions of interest, allowing an estimation of its variations across the bone cross-section and along the bone longitudinal axis. The method was applied to a human femoral neck bone specimen, which is a site of osteoporotic fracture. The computed elastic coefficients for cortical bone were in good agreement with experimental results, but some discrepancies were obtained in the endosteal part (trabecular bone). These results highlight the importance of accounting for the heterogeneity of cortical bone properties across bone cross-section and along bone longitudinal axis. PMID:20392446
Conductivities and curing properties of electron-beam-irradiated anisotropic conductive films
NASA Astrophysics Data System (ADS)
Shin, Tae Gyu; Lee, Inhyuk; Kim, Jae yong
2012-07-01
Radiation-curable acrylated epoxy oligomer was irradiated by using an electron beam (E-beam) with dosages of 5, 10, 20, 40, 80, 200, 400, and 550 kGy to investigate the electrical and the physical properties of anisotropic conductive films (ACFs) and to evaluate the potential application of radiation technology to flip-chip package processing. An ACF is an insulating epoxy matrix containing conducting particles that keep the electrical conductivity along the out-of-plane direction and the insulation property along the in-plane direction. The contact resistance between ACF joints cured by using an E-beam irradiation of 80 kGy was measured under a constant bonding pressure of 2 kgf/cm2 to demonstrate the effects of pad pitch size and the number of added conductive particles in the epoxy resin. Three types of PCBs, 1000-, 500-, and 100-µm pad pitches, were employed while the E-beam curable epoxy resin was mixed with conductive particles in a weight ratio of 10:1. The measured average contact resistance was 0.24 ? with a minimum of 0.06 ? for the samples prepared with a 100-µm pad pitch size, which is compatible with or lower than the values obtained from thermally-cured commercial ACFs. Our results demonstrate that an E-beam is an effective radiation method for curing epoxy resins at low temperatures in a short time and can be employed as a new technique for bonding circuits in high-density electric devices.
Electronic and transport properties of nanotubes
NASA Astrophysics Data System (ADS)
Charlier, Jean-Christophe; Blase, Xavier; Roche, Stephan
2007-04-01
This article reviews the electronic and transport properties of carbon nanotubes. The focus is mainly theoretical, but when appropriate the relation with experimental results is mentioned. While simple band-folding arguments will be invoked to rationalize how the metallic or semiconducting character of nanotubes is inferred from their topological structure, more sophisticated tight-binding and ab initio treatments will be introduced to discuss more subtle physical effects, such as those induced by curvature, tube-tube interactions, or topological defects. The same approach will be followed for transport properties. The fundamental aspects of conduction regimes and transport length scales will be presented using simple models of disorder, with the derivation of a few analytic results concerning specific situations of short- and long-range static perturbations. Further, the latest developments in semiempirical or ab initio simulations aimed at exploring the effect of realistic static scatterers (chemical impurities, adsorbed molecules, etc.) or inelastic electron-phonon interactions will be emphasized. Finally, specific issues, going beyond the noninteracting electron model, will be addressed, including excitonic effects in optical experiments, the Coulomb-blockade regime, and the Luttinger liquid, charge density waves, or superconducting transition.
NASA Astrophysics Data System (ADS)
Wang, Lei; Wang, Xiaodong
2014-06-01
Resulting from the nature of anisotropy of coal media, it is a meaningful work to evaluate pressure transient behavior and flow characteristics within coals. In this article, a complete analytical model called the elliptical flow model is established by combining the theory of elliptical flow in anisotropic media and Fick's laws about the diffusion of coalbed methane. To investigate pressure transient behavior, analytical solutions were first obtained through introducing a series of special functions (Mathieu functions), which are extremely complex and are hard to calculate. Thus, a computer program was developed to establish type curves, on which the effects of the parameters, including anisotropy coefficient, storage coefficient, transfer coefficient and rate constant, were analyzed in detail. Calculative results show that the existence of anisotropy would cause great pressure depletion. To validate new analytical solutions, previous results were used to compare with the new results. It is found that a better agreement between the solutions obtained in this work and the literature was achieved. Finally, a case study is used to explain the effects of the parameters, including rock total compressibility coefficient, coal medium porosity and anisotropic permeability, sorption time constant, Langmuir volume and fluid viscosity, on bottom-hole pressure behavior. It is necessary to coordinate these parameters so as to reduce the pressure depletion.
Nonlinear electrical transport properties in silicene
NASA Astrophysics Data System (ADS)
Yang, Tao; Lin, Q.; Wang, C. M.
2015-10-01
By considering screened electron-impurity scattering with Coulombic potential and all intravalley and intervalley electron-phonon interactions due to deformation potential couplings, we explore the nonlinear electrical transport properties of massive Dirac electrons in a monolayer silicene with a balance-equation scheme. The strong effects of the energy gap on both linear and nonlinear drift velocity and resistivity are demonstrated. The tunable values over 50% for mobility and 1800% for resistivity by vertical electric field are predicted, indicating valuable application prospects in silicene-based devices.
Parametric fit to electron transport properties
NASA Technical Reports Server (NTRS)
Lonergan, J. A.; Shreve, D. C.
1972-01-01
Experimental data acquired over the past few years were gathered, and parametric fits made to these data. The following properties of electron transport were represented by simple functions of atomic number and energy: transmitted electron number, transmitted electron spectra, range, backscatter coefficient, angular distribution, energy deposition, bremsstrahlung intensity and energy spectra, and bremsstrahlung angular distribution and photon attenuation. The formulas cover the energy ranges of interest in space shielding problems (0.1 to 10.0 MeV). Procedures for using these formulas in practical situations are suggested.
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 mechanical properties and bioactivities of the scaffolds, might have great potential in vascular tissue engineering application. PMID:25826222
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
NASA Astrophysics Data System (ADS)
Eslami, Hossein; Mohammadzadeh, Laila; Mehdipour, Nargess
2012-03-01
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)], 10.1063/1.3623471 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.
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 ?W cm(-1) K(-2) along the a direction, while a relatively low value (11.72 ?W 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 (?min) 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 ?min 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. PMID:26486877
Phonon transport properties in pillared silicon film
NASA Astrophysics Data System (ADS)
Wei, Zhiyong; Yang, Juekuan; Bi, Kedong; Chen, Yunfei
2015-10-01
The phonon transport property of pillared silicon film is systematically investigated by molecular dynamics simulation and lattice dynamics calculation. It is found that the thermal conductivity can be reduced to as low as 28.6% of the conductivity of plain ones. Although the reduced thermal conductivity can be explained qualitatively by increased surface roughness, our calculations show that the pillars modify the phonon dispersion relation and reduce the phonon group velocity due to the local resonance effects. Furthermore, by analyzing the participation ratio spectra, it is shown that the pillars reduce the mode participation ratio over the whole range of frequency. We found that the mode localization around the pillars is another important factor to reduce the thermal conductivity of pillared film. The present investigations indicate that the pillared film may have potential application in thermoelectric energy conversion.
Transport properties of polycrystalline boron doped diamond
NASA Astrophysics Data System (ADS)
de Oliveira, J. R.; Berengue, O. M.; Moro, J.; Ferreira, N. G.; Chiquito, A. J.; Baldan, M. R.
2014-08-01
The influence of doping level in the electronic conductivity and resistivity properties of synthetic diamond films grown by hot filament chemical vapor deposition (HFCVD) was investigated. Eight different doping level concentrations varied from 500 to 30,000 ppm were considered. The polycrystalline morphology observed by scanning electron microscopy and Raman spectra was strongly affected by the addition of boron. The electric characterization by Hall effect as a function of temperature and magnetic field showed that at sufficiently low temperatures, electrical conduction is dominated by variable range hopping (VRH) conducting process. The resistivity was also investigated by temperature-dependent transport measurements in order to investigate the conduction mechanism in the doped samples. The samples exhibited the VRH (m = 1/4) mechanism in the temperature range from 77 to 300 K. The interface between metal, and our HFCVD diamond was also investigated for the lower doped samples.
Charge transport properties of spin crossover systems.
Ruiz, Eliseo
2014-01-01
The study of spin crossover compounds by means of theoretical or experimental approaches has provided interesting results in recent decades. The main feature of such compounds is the change in the spin state induced by many different external stimuli, i.e. temperature, light, pressure, solvent coordination and the electric field. Spin crossover systems are potentially more useful than other magnetic molecules because their switching behaviour can occur closer to room temperature, and they are thus candidates for use in spintronic devices. Here, I review the state of the art in quantum chemical approaches to the study of such systems and discuss experiments that have focused on transport properties in single-molecule, nano-objects or thin-film spin crossover systems. PMID:24217339
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(112) surface. The structural uniformity of this atomic-wire-or quantum-wire array is far superior to those created by nano-lithography or STM atom manipulation. Transport measurements reveal a strong conductance anisotropy as expected. However, the conduction channels are orthogonal to the crystallographic chains. This counterintuitive result is in excellent agreement with electronic structure calculations by Ortega and Flores. The theoretical band structure was confirmed independently with photoemission spectroscopy.
NASA Astrophysics Data System (ADS)
Lee, Ji-Hwan; Park, Jong-Hun; Jung, Young-Kwang; Soon, Aloysius
2015-03-01
Current materials-related calculations employ the density-functional theory (DFT), commonly using the (semi-)local-density approximations for the exchange-correlation (xc) functional. The accuracy to studying the electronic structure depends not only on the employed approximation to the xc potential but also upon the system which is being investigated. The difficulties in arriving at a reasonable description of van der Waals (vdW) interactions by DFT-based models, is to date a big challenge. This stems from the well-known fact that vdW interaction is a non-local correlation effect which is not captured in the deployed (semi-)local xc functionals. In this work, using various flavours of vdW-corrected DFT xc functionals, we study the lattice and mechanical properties (including the elastic constants and anisotropic stress-strain curves) of the coinage metals (copper, silver, and gold), and critically assess the reliability of the different vdW-corrected DFT methods in describing their anisotropic mechanical properties which are less reported on in the literature.
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.
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.
Crystal growth and anisotropic thermal properties of the nonlinear and polar oxide Cs2TeW3O12
NASA Astrophysics Data System (ADS)
Feng, Jiang-He; Xiang, Xu; Mao, Jiang-Gao
2015-12-01
Large crystal of the nonlinear optical and polar oxide Cs2TeW3O12 with a size of 20×15×4 mm3 has been grown by the top-seeded solution growth (TSSG) method. This crystal can be thermally stable up to 808 °C and melts incongruently. It possesses a large transparent range of 0.415-5.250 ?m. Thermal properties, including thermal expansion, specific heat, thermal diffusivity and thermal conductivity were investigated. The average linear thermal expansion coefficients were calculated based on the measurement in the temperature range of 30-390 °C. It exhibits strong anisotropic thermal expansion which was discussed according to the relationships between the structure and thermal properties. Furthermore, laser-induced damage threshold has been estimated to be 591.28 MW/cm2 with a laser wavelength of 1064 nm and pulse duration of 8 ns.
Transport properties of silver selenomolybdate glassy ionic conductors
NASA Astrophysics Data System (ADS)
Deb, B.; Ghosh, A.
2012-11-01
Transport properties of silver selenomolybdate glassy ionic conductors have been reported for wide composition and temperature ranges. It has been observed that the transport properties of these glasses depend strongly on the modifier content as well as on the glass formers ratio. A direct correlation between the ion transport and the modification of the glass structure has been predicted. Transport properties of these glasses are also strongly influenced by the existence of dual character of SeO2 as a glass former and a glass modifier. Structural models for different compositions have also been proposed.
Strain-mediated magnetic and transport properties of epitaxial LuxFe3-xO4 films
NASA Astrophysics Data System (ADS)
Wang, P.; Jin, C.; Zheng, D. X.; Bai, H. L.
2015-10-01
Strain mediated structure, magnetic, and transport properties of spinel ferrites were investigated by growing epitaxial LuxFe3-xO4 (LFO, 0 ? x ? 0.26 ) films on SrTiO3 and MgO substrates with in-plane compressive and tensile strains, respectively. The lattice parameter of LFO films decreases on SrTiO3 substrates, while increases on MgO substrates with the increasing Lu content. The LFO films on SrTiO3 substrates exhibit larger saturation magnetization and smaller exchange bias and coercive field. Phase shift of anisotropic magnetoresistance is also observed in the LFO films on SrTiO3 substrates. In addition, the nonmagnetic Lu3+ ions in spinel ferrites enhance the spin canting, which further increases the exchange bias and coercive field and strengthens the four-fold symmetry of anisotropic magnetoresistance and the two-fold symmetry of planar Hall effect.
Transport properties of alkali metal doped fullerides
NASA Astrophysics Data System (ADS)
Yadav, Daluram; Yadav, Nishchhal
2015-07-01
We have studied the intercage interactions between the adjacent C60 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-C60 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, Tc, is obtained in a situation when the free electrons in lowest molecular orbital are coupled with alkali-C60 phonons as 5 K, which is much lower as compared to reported Tc (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.
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.
Anisotropic thermal transport in Bi2223/Ag superconducting tape with sandwiched structure
NASA Astrophysics Data System (ADS)
Naito, Tomoyuki; Fujishiro, Hiroyuki; Osabe, Goro; Fujikami, Jun
2013-01-01
The thermal conductivity, ?(T), of the Bi2223/Ag tape reinforced by metal tapes (stainless steel (SS) or copper-based alloy (CA)) from both side was evaluated along the length (l) and width (w) directions. ?(T) along the l-direction was measured directly using a single tape and that along the w-direction was estimated from the ?(T) measured for a stacked bundle which consists of several sandwiched Bi2223/Ag tapes. We analyzed the obtained ?(T) curves using an equivalent heat current circuit, and found that the heat transports along both directions were nearly the same and that the route of heat-flow depended on the species of the reinforcing metal. The absolute values of ?(T) at 77 K along the l- and w- directions for the Bi2223/Ag-SS tape were 174 and 140 W m-1 K-1 and those for the Bi2223/Ag-CA tape were 206 and 206 W m-1 K-1, respectively, the values of which were approximately 30-40% and 10-15% smaller than those of the standard Bi2223/Ag tape.
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.
NASA Astrophysics Data System (ADS)
Chen, Xiaosui; Wang, Yunli; Cai, Kai; Bai, Yang; Bo, Shuhui; Guo, Dong
2014-08-01
Highly ordered assemblies of the copolymer of vinylidene fluoride and trifluoroethylene P(VDF-TrFE) nanorods with anisotropic piezoelectric response were fabricated on different substrates by using a template-free self-organization method. The significant difference in vertical and lateral piezoelectric responses of the nanorods in piezoresponse force microscopy (PFM) revealed that their molecular dipoles were preferentially oriented parallel to the substrate plane. In addition, dipole orientation distribution map in the nanorods was derived by analyzing the vertical and lateral PFM amplitude and phase images. Infrared reflection spectra further showed that the macromolecular backbones were oriented perpendicularly relative to the substrate. A flat-on lamellar structure and a confined crystallization of dewetted melt phase nanorod formation mechanism were proposed. The highly anisotropic piezoelectric response of the assemblies of nanorods may be promising for nanoscale devices for application in energy harvesting, etc. More importantly, the results demonstrated that self organization could be used for fabricating P(VDF-TrFE) nanostructures by controlling the surface energy of the substrates.
Bo Li; Xing Li
2008-12-09
The Helios measurements of the angular momentum flux $L$ for the fast solar wind show that the individual ion contributions, $L_p$ and $L_\\alpha$, tend to be negative (i.e., in the sense of counter-rotation with the Sun). However, the opposite holds for the slow wind, and the overall particle contribution $L_P = L_p + L_\\alpha$ tends to exceed the magnetic one $L_M$. These aspects are at variance with previous models. We examine whether introducing realistic ion temperature anisotropies can resolve this discrepancy. From the general multifluid transport equations with gyrotropic species pressure tensors, we derive the equations governing both the meridional and azimuthal dynamics of general axisymmetrical, rotating stellar winds that include two major ion species. The azimuthal dynamics are examined in detail, using the empirically constructed meridional flow profiles for the solar wind. We find that $L$ is determined by requiring that the solution to the total angular momentum conservation law is unique and smooth close to the Alfven point, where the combined Alfvenic Mach number $M_T=1$. Introducing realistic ion temperature anisotropies may introduce a change of up to 10% in $L$ and up to 1.8 km/s in azimuthal speeds of individual ions between 0.3 and 1 AU, compared with the isotropic case. The latter has strong consequences on the relative importance of $L_P$ and $L_M$. However, introducing ion temperature anisotropies cannot resolve the discrepancy between measurements and models. For the fast-wind solutions, while in extreme cases $L_P$ becomes negative, $L_p$ never does. On the other hand, for the slow-wind solutions, $L_P$ never exceeds $L_M$, even though $L_M$ may be less than the individual ion contribution, since $L_p$ and $L_\\alpha$ always have opposite signs for the slow and fast wind alike.
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, thus changing the angle provided the surface with essential wetting properties. This adjustment on the nano-PPX surface exhibited excellent control on water droplet transport as well as guided the droplets from desired points to targets. The results demonstrated that it is possible to create railroad-like paths to manipulate the droplet movements by deforming the nano-PPX surface. Controlling physical properties of the surface granted the inspiration for fabricating basic fluidic devices to sort and mix droplets. These devices are promising for assembly purposes in terms of using microgels in engineering applications (i.e. building blocks for bioengineering). The surface has potential for further development to achieve the directed assembly of microgels into close proximity.
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 ?{sub a}, ?{sub b}, and ?{sub c} of the pseudodielectric-function tensor (?)=(??)+i(??) spectra are taken from 0.73 to 6.45 eV by spectroscopic ellipsometry. The measured (?) spectra are in a good agreement with the results of the calculated dielectric response from hybrid density functional theory. The (?) 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 (?) data. Their probable electronic origins and implications for photovoltaic applications are discussed.
Gorelikov, G. A.; Fridman, Yu. A.
2013-07-15
The spectra of coupled magnetoelastic waves in a semi-infinite strongly anisotropic easy-plane ferromagnet with a rigidly fixed face are analyzed for two variants of fixation (in the basal plane and perpendicularly to it). The phase states of the system are determined. Differences in the phase diagrams and elementary excitation spectra depending on the choice of the sample fixation plane are considered. When rotational invariance is taken into account, the nonreciprocity effect for the velocities of sound in a crystal appears. It is shown that the velocity of sound in the sample considerably depends on the symmetry of the imposed mechanical boundary conditions. The phase diagrams of the system under investigation are presented.
Normal transport properties for a classical particle coupled to
Normal transport properties for a classical particle coupled to a non-Ohmic bath P. Lafitte(1-Projet SIMPAF Centre de Recherche INRIA Futurs Parc Scientifique de la Haute Borne, 40, avenue Halley B.P. 70478 constant D through the Einstein relation. The system therefore exhibits normal transport even though
Normal transport properties in a metastable stationary state
De Bièvre, Stephan
Normal transport properties in a metastable stationary state for a classical particle coupled Villeneuve d'Ascq Cedex, France. (2) Equipe-Projet SIMPAF Centre de Recherche INRIA Futurs Parc Scientifique transport even though the bath obviously has a discrete frequency spec- trum (it is simply monochromatic
Transport properties of pancreatic cancer describe gemcitabine delivery and response
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. Funding. Lustgarten Foundation (989161), Department of Defense (W81XWH-09-1-0212), NIH (U54CA151668, KCA088084). PMID:24614108
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-heat-solute transport. The first three problems considered in model verification were compared to either analytical or numerical solutions, whereas the coupled problem was compared to measured laboratory results for which no known analytic solutions or numerical models are available. The test results indicate the model is accurate and applicable for a wide range of conditions, including when water (liquid and vapor), heat (sensible and latent), and solute are coupled in ground-water systems. The cumulative residual errors for the coupled problem tested was less than 10-8 cubic centimeter per cubic centimeter, 10-5 moles per kilogram, and 102 calories per cubic meter for liquid water content, solute concentration and heat content, respectively. This model should be useful to hydrologists, engineers, and researchers interested in studying coupled processes associated with variably saturated transport in ground-water systems.
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. PMID:26406937
PROPERTIES OF INTERFACES AND TRANSPORT ACROSS THEM
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...
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 anisotropic ray tracing. x. Chapter 4 presents the data reduction of the P matrix of a crystal waveplate. The diattenuation is embedded in the singular values of P. The retardance is divided into two parts: (A) The physical retardance induced by OPLs and surface interactions, and (B) the geometrical transformation induced by geometry of a ray path, which is calculated by the geometrical transform Q matrix. The Q matrix of an anisotropic intercept is derived from the generalization of s- and p-bases at the anisotropic intercept; the p basis is not confined to the plane of incidence due to the anisotropic refraction or reflection. Chapter 5 shows how the multiple P matrices associated with the eigenmodes resulting from propagation through multiple anisotropic surfaces can be combined into one P matrix when the multiple modes interfere in their overlapping regions. The resultant P matrix contains diattenuation induced at each surface interaction as well as the retardance due to ray propagation and total internal reflections. The polarization aberrations of crystal waveplates and crystal polarizers are studied in Chapter 6 and Chapter 7. A wavefront simulated by a grid of rays is traced through the anisotropic system and the resultant grid of rays is analyzed. The analysis is complicated by the ray doubling effects and the partially overlapping eigen-wavefronts propagating in various directions. The wavefront and polarization aberrations of each eigenmode can be evaluated from the electric field distributions. The overall polarization at the plane of interest or the image quality at the image plane are affected by each of these eigen-wavefronts. Isotropic materials become anisotropic due to stress, strain, or applied electric or magnetic fields. In Chapter 8, the P matrix for anisotropic materials is extended to ray tracing in stress birefringent materials which are treated as spatially varying anisotropic materials. Such simulations can predict the spatial retardance variation throughout the stressed optical component and its effects on the point spread function and mod
FIELD DETERMINATION OF SOIL HYDRAULIC AND CHEMICAL TRANSPORT PROPERTIES
Technology Transfer Automated Retrieval System (TEKTRAN)
Hydraulic and chemical transport properties are the major inputs in predictive models that simulate the movement of water and chemicals through the vadose zone. However, there is a lack of field measurements of such properties to verify models describing water and chemical movement through the soil...
Lagrangian transport properties of pulmonary interfacial flows
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 (?-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
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 some input in NAMELIST format. It requires about 423 KB memory, and is designed to be used on mainframe, workstation, and mini computers. Due to its memory requirements, this program does not readily lend itself to implementation on MS-DOS based machines.
Kataoka, Keisuke; Yasumoto, Tetsuaki; Manabe, Yousuke; Sato, Hiroyasu; Yamano, Akihito; Katagiri, Toshimasa
2013-02-21
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. PMID:22692420
Anisotropic Fermi surface from holography
Li Qing Fang; Xian-Hui Ge; Jian-Pin Wu; Hong-Qiang Leng
2015-06-13
We investigate the probe holographic fermions by using an anisotropic charged black brane solution. We derive the equation of motion of probe bulk fermions with one Fermi momentum along the anisotropic and one along the isotropic directions. We then numerically solve the equation and analyze the properties of Green function with these two momentums. We find in this case the shape of Fermi surface is anisotropic. However, for both Fermi momentums perpendicular to the anisotropic direction, the Fermi surface is isotropic. We verify that our system obeys the recently conjectured bound for thermoelectric diffusion constants for the stable branch of the black brane solutions.
Unsaturated Zone and Saturated Zone Transport Properties (U0100)
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.
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.
Enhancement of wall jet transport properties
Claunch, Scott D. (Broomfield, CO); Farrington, Robert B. (Golden, CO)
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.
Enhancement of wall jet transport properties
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.
NASA Astrophysics Data System (ADS)
Ueoka, Yoshihiro; Shingu, Kenta; Yano, Hiroshi; Hatayama, Tomoaki; Fuyuki, Takashi
2012-11-01
The origin of anisotropic electrical properties on 4H-SiC trench metal-oxide-semiconductor field-effect transistors (MOSFETs) with large off-axis angles has been discussed from the viewpoints of charge pumping current and surface roughness. The channel mobility (µch) on (11bar 20) tilted toward [000bar 1] was high and that on (bar 1bar 120) tilted toward [0001] was low. The roughness at the SiC/SiO2 interfaces was measured after the removal of the oxide. A rough surface was observed on (bar 1bar 120). A locally thick gate oxide results in a nonuniform inversion layer, which is the main origin of the anisotropic electrical properties of the trench MOSFETs on off-axis substrates.
Electron-Transport Properties of Few-Layer Black Phosphorus.
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. PMID:26266491
Structural and magnetic properties of an anisotropic M-type LaCo-substituted strontium hexaferrite
NASA Astrophysics Data System (ADS)
Tyrman, Muriel; Pasko, Alexandre; De La Barrière, Olivier; Mazaleyrat, Frédéric
2015-11-01
Rare-earth-free permanent magnets returned to the forefront of scientific and technological concerns about the environmental and economical issues. The emergence of new markets, control of costs and availability of raw materials encourage to look for alternative materials containing much less, or no, rare earth elements selected from the most common and most available. The hexaferrite doped with lanthanum and cobalt present interesting properties to succeed the rare-earth magnets. The structural and magnetic properties of a strontium hexaferrite are presented in this paper, and two models are developed in order to correlate structural and magnetic properties. Contribution to the topical issue "Electrical Engineering Symposium (SGE 2014)", edited by Adel Razek
NASA Astrophysics Data System (ADS)
Koons, P. O.; Upton, P.; Barker, A. D.
2010-12-01
The prevalent description of landscape evolution in terms of local and regional slopes emphasizes driving over resisting forces for fluvial, glacial, and hillslope processes. However, the experimental evidence of extreme dependence of incision rates on anelastic material properties (e.g. cohesion, tensile strength, friction angle, etc...), coupled with the ubiquity of strain-dependent rheology exhibited by natural materials, suggests that the factors controlling rock resistance to erosion provide the critical control on landscape evolution. Here we present an alternative formulation for landscape evolution based on conventional Newtonian stress:motion mechanics for a simple, strain-dependent material that undergoes weakening during deformation due to fault gouge formation. Our formulation incorporates both tectonically- and topographically-generated stresses into a single 3D framework and produces predictions on both magnitude and orientation of surface strength field related to local kinematics. Application of the rheological behavior to lithospheric-scale models of New Zealand and the Himalaya, illustrates the predictable time-dependent growth of material strength field for comparison with the anisotropic fabric of natural orogens. The material strength fields derived from kinematics are compatible with observational metrics on slope orientation recently identified as crucial in capturing the variance in hillslope and cliff evolution, thereby providing a critical link between landscape observations and models.
Transport properties of high-temperature Jupiter atmosphere components
Bruno, D.; Colonna, G.; De Pascale, O.; Laricchiuta, A.; Catalfamo, C.; Diomede, P.; Capitelli, M.; Gorse, C.; Longo, S.; Giordano, D.; Pirani, F.
2010-11-15
Transport properties of high-temperature helium and hydrogen plasmas as well as Jupiter atmosphere have been calculated for equilibrium and nonequilibrium conditions using higher approximations of the Chapman-Enskog method. A complete database of transport cross sections for relevant interactions has been derived, including minority species, by using both ab initio and phenomenological potentials. Inelastic collision integrals terms, due to resonant charge-exchange channels, have been also considered.
Transport properties of interacting magnetic islands in tokamak plasmas
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.
Transport properties in nontwist area-preserving maps
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.
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.
Anisotropic Flow from RHIC to the LHC
Raimond Snellings
2006-10-05
Anisotropic flow is recognized as one of the main observables providing information on the early stage of a heavy-ion collision. At RHIC the large observed anisotropic flow and its successful description by ideal hydrodynamics is considered evidence for an early onset of thermalization and almost ideal fluid properties of the produced strongly coupled Quark Gluon Plasma. This write-up discusses some key RHIC anisotropic flow measurements and for anisotropic flow at the LHC some predictions.
Transport and Optical Properties of Single- and Bilayer Black Phosphorus with Defects
Yuan, Shengjun; Katsnelson, M I
2014-01-01
We study the effect of various kinds of defects on the transport and optical properties of single- and bilayer black phosphorus (BP) by using the large-scale tight-binding propagation method. The impurity states caused by resonant scatterers form sharp peaks in the density of states within the band gap (midgap states), which is different from the uniform increase of states caused by non-resonant scatterers. For both types scattering defects, the impurity states are insulating due to the Anderson localization, and lead to extra excitations within the optical gap. The dc conductivity as well as carrier mobility beyond the gap are reduced significantly because of the scattering from the defects. The angle-dependent absorption coefficients of linearly polarized light show that the anisotropic optical response above the band gap are robust against disorder, but the anisotropy of the defect-induced excitations is restrained. Our transport calculations also suggest that single- and bilayer BP are suitable for the ap...
Transport Properties of Cerium Filled Antimonide Skutterudites
NASA Astrophysics Data System (ADS)
Uher, Ctirad; Chen, B.; Hu, S.
1997-03-01
We have studied the influence of both Co-doping on the Fe site and fractional filling on the rare earth site of Ce_?Fe_4-xCo_xSb_12 filled skutterudites which are promising new thermoelectric materials. With increasing x the amount of Ce which goes into the voids decreases from ? near unity for x = 0 to ? ? 0.2 for x = 4. For small values of x we observe p-type behavior while samples near x = 4 become n-type. The crossover from hole-like to electron-like conduction ( which occurs near x = 3) is driven by a subtle competition between the Co and Ce concentrations. All of the filled skutterudites studied here have a strongly depressed thermal conductivity relative to the parent binary compound CoSb_3. Surprisingly, we find that very little Ce ( ? as low as 0.1) is required to produce a major suppression in the thermal conductivity. The origin of this interesting thermal transport behavior is discussed.
Dynamics of Anisotropic Universes
Jerome Perez
2006-03-30
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.
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
Transport properties of a Bentheim sandstone under deformation.
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. PMID:25679736
Transport properties of the Fermi hard-sphere system
Mecca, Angela; Benhar, Omar; Polls, Artur
2015-01-01
The transport properties of neutron star matter play an important role in a variety of astrophysical processes. We report the results of a calculation of the shear viscosity and thermal conductivity coefficients of the hard-sphere fermion system of degeneracy $\
Fluid transport properties by equilibrium molecular dynamics. II. Multicomponent systems
Dysthe, Dag Kristian
and mixed with CO2 and N2 .21 The bulk of research articles in this field has been de- voted simulation results of N2 n-pentane agree with experiment with a maximum deviation of 36%, the greatest error and multicenter molecular models.816 d The study of transport properties of certain fluids and classes of fluids
Properties and Transport Behavior among 12 Different Environmental Escherichia coli
Technology Transfer Automated Retrieval System (TEKTRAN)
Escherichia coli is a commonly used indicator organism for detecting the presence of fecal-borne pathogenic microorganisms in water supplies. The importance of E. coli as an indicator organism has led to numerous studies looking at cell properties and transport behavior of this microorganism. In man...
Thermal transport properties of complex oxides from first principles
NASA Astrophysics Data System (ADS)
Bhatti, Aqyan; Jain, Ankit; McGaughey, Alan; Benedek, Nicole
2015-03-01
Thermal transport properties of materials are key parameters in the design of many engineering devices. For this reason, it is highly desirable to be able to control or tailor the thermal properties of materials for specific applications. Complex oxides are attractive in this regard, due to their low and potentially highly tunable thermal conductivity. However, the theoretical description of the thermal transport properties of oxides presents a number of challenges compared to conventional semiconductors. For example, oxides tend to have complex crystal structures and the atoms interact through long-range electrostatic forces. In this talk, we use the example of PbTiO3 to discuss some of the challenges and opportunities associated with thermal transport predictions in complex oxides. For example, many oxides contain very low-lying optical branches, which may provide important acoustic-optical scattering channels. In addition, it is often possible to tune the frequencies of such optical modes with epitaxial strain. We also link the observed negative thermal expansion behavior of PbTiO3 to two zone-boundary modes with large, negative Grüneisen parameters and comment on the consequences of this finding for the thermal transport properties of this material.
Oxygen transport properties estimation by DSMC-CT simulations
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.
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
Atomistic Study of Transport Properties at the Nanoscale
Haskins, Justin
2013-01-11
on the nanostructure. Quantum dot superlattices are shown to be effective structures for controlling the thermal transport properties, the available range of thermal conductivity using these structures being 0.1-160 W/mK. The final study concerns graphene...
RICE UNIVERSITY Transport Properties of Topological Phases in
Natelson, Douglas
RICE UNIVERSITY Transport Properties of Topological Phases in Broken Gap InAs/GaSb Based Quantum Wells by Ivan Knez A Thesis Submitted in Partial Fulfillment of the Requirements for the Degree Doctor. Tim Gilheart and Dr. Kelley Bradley for doing such a great job with keeping the clean rooms running
Transport properties of the Fermi hard-sphere system
Angela Mecca; Alessandro Lovato; Omar Benhar; Artur Polls
2015-11-28
The transport properties of neutron star matter play an important role in a variety of astrophysical processes. We report the results of a calculation of the shear viscosity and thermal conductivity coefficients of the hard-sphere fermion system of degeneracy $\
Orozco, Gustavo A; Nieto-Draghi, Carlos; Mackie, Allan D; Lachet, Véronique
2011-12-15
A new anisotropic united atom (AUA4) force field is developed to predict the phase equilibrium and transport properties of different primary amines. The force field transferability was studied for an important set of molecules, including linear amines (methyl, ethyl, n-propyl, and n-hexylamine), branched amines (isopropyl and isobutylamine), and bifunctional amines (ethylenediamine, 1,3-propanediamine, and 1,5-pentanediamine). Monte Carlo simulations in the Gibbs ensemble were carried out to study thermodynamic properties such as equilibrium densities, vaporization enthalpies, and vapor pressures. Critical coordinates (critical density, critical temperature, and critical pressure) and normal boiling points were also calculated. The shear viscosity coefficients were studied for methyl, ethyl, and n-propylamine at different temperatures using molecular dynamics. Our results show a very good agreement with experimental values for thermodynamic properties and are an improvement on the models available in the literature, all of which are all-atom. Viscosity coefficients also show a good agreement compared with experimental data, demonstrating the transferability of our force field not only to predict thermodynamic properties but also to predict transport properties. PMID:22034922
Transport properties in semiconducting NbS{sub 2} nanoflakes
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.
Averaging anisotropic cosmologies
NASA Astrophysics Data System (ADS)
Barrow, John D.; Tsagas, Christos G.
2007-02-01
We examine the effects of spatial inhomogeneities on irrotational anisotropic cosmologies by looking at the average properties of anisotropic pressure-free models. Adopting the Buchert scheme, we recast the averaged scalar equations in Bianchi-type form and close the standard system by introducing a propagation formula for the average shear magnitude. We then investigate the evolution of anisotropic average vacuum models and those filled with pressureless matter. In the latter case we show that the backreaction effects can modify the familiar Kasner-like singularity and potentially remove Mixmaster-type oscillations. The presence of nonzero average shear in our equations also allows us to examine the constraints that a phase of backreaction-driven accelerated expansion might put on the anisotropy of the averaged domain. We close by assessing the status of these and other attempts to define and calculate 'average' spacetime behaviour in general relativity.
NASA Astrophysics Data System (ADS)
Song, Dongxing; Jing, Dengwei; Luo, Bing; Geng, Jiafeng; Ren, Yuxun
2015-07-01
Magnetic field can enhance both thermal conductivity and Lorentz force resistance of the magnetic nanofluids (MNFs), in which the former is favored while the latter often leads to pressure drop of the flow. It is assumed that there would exist a balance between the magnetic field induced thermal conductivity and Lorentz force if one can appropriately adjust the angle of the imposing magnetic field with respect to the direction of the flow. In the present study, the effects of direction of magnetic field ( ?) on anisotropic thermodynamic properties of magnetic nanofluids in channel were studied. The effects of direction of magnetic field on thermal conductivity, Nusselt number, global total entropy generation, and other parameters, such as velocity, temperature, and concentration, have been discussed in detail. A greater ? can lead to a larger thermal conductivity normal to the walls of channel and a more uniform temperature field. However, the velocity of magnetic nanofluid tends to decrease. There is a threshold for magnetic intensity (B). When magnetic intensity becomes large than the threshold, its effect on thermal conductivity will tends to be constant. The effect of increase of ? is found to be similar to that of increasing Hartmann number ( H a ) and both can lead to augment of Lorentz resistance force along flow direction. With the increases of ? and H a , both heat transfer efficiency (Nu) and global total entropy generation ( ST ) increase. Here, ST indicates the extent of loss of useful work due to the irreversibility of the process. A comprehensive utility index, Iu , is defined for evaluation of the performance of a practical heat transfer system employing MNFs. For the case where the purpose of heat transfer is to cool an equipment such as electrical device, guaranteeing heat transfer efficiency (Nu) is more important than decreasing useful energy loss ( ST ); thus, we propose a large ? relative to the flow direction. For industrial processes, where energy loss ( ST ) have to be particularly considered, a small ? is recommended.
NASA Astrophysics Data System (ADS)
Yanagida, Hirotaka; Tamura, Yasutaka; Kim, Kwang-Mo; Lee, Jun Jae
2007-08-01
The ultrasound computed tomography (CT) method presented in this paper is an improvement of conventional back projection imaging methods for wooden pillars. The sound velocity in wood changes with the direction of the ultrasound propagation path; therefore, the properties of a medium must be considered in the imaging method. We obtained the 36 time-of-flight (TOF) data of tangents on the same circumference for various diameters. We determined an irregular pathway for each diameter, if the sound velocity of the pathway is slower than 92% of the average velocity of 36 pathways. TOF data for 270 paths were measured in total by manual scanning for one CT image. Although a hole of 25 mm diameter and a slit-type (3× 33 mm2) hole are not detected by the conventional back projection method, these artificial defects were detected by our method. Two slit-shaped defects were also detected by our method. We found some knots and cracks in the X-ray image in a wood specimen. These knots were detected by our method; however, it was impossible to distinguish the knots and holes from each other using the CT image.
Transport properties of silicate melts at high pressure
NASA Astrophysics Data System (ADS)
Lesher, C. E.; Gaudio, S. J.; Clark, A. N.; O'Dwyer-Brown, L.
2012-12-01
It is well appreciated that the transport properties (e.g., diffusion, viscosity) of silicate melts are intimately linked by melt structure and the time scales of structural relaxation. These linkages have been explored exten-sively at low pressure, but our understanding is more limited for high-pressure conditions relevant to the Earth's deep interior. Transport property models based on free-volume, activation energy and/or configurational entropy have merits, but their validity in extrapolation is uncertain. Moreover, the structural implications at high pressure are conflicting and lack experimental support. We examine these issues and review theoretical efforts to model transport properties at high pressure, as well as, those constraints provided by laboratory experiments and simulations. We emphasis the need to consider the properties of melt not only for high-pressure superheated conditions, but also for supercooled conditions in the vicinity of the glass transition. For example, the time scales for density relaxation traversing the glass transition at high pressure can be monitored using in situ X-ray miroctomography/absorption and ex vivo by the Archimedes' method combined with spectroscopy. These approaches are amenable to both strong and fragile liquids. Taken together with superliquidus data, we can greatly improve the interpolation of melt properties within the melting interval for refractory mantle compositions.
Review on measurement techniques of transport properties of nanowires.
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
Wentzel-Bardeen singularity in coupled Luttinger liquids: Transport properties
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.
Pristine Basal- and Edge-Plane-Oriented Molybdenite MoS2 Exhibiting Highly Anisotropic Properties.
Tan, Shu Min; Ambrosi, Adriano; Sofer, Zden?k; Huber, Št?pán; Sedmidubský, David; Pumera, Martin
2015-05-01
The layered structure of molybdenum disulfide (MoS2 ) is structurally similar to that of graphite, with individual sheets strongly covalently bonded within but held together through weak van der Waals interactions. This results in two distinct surfaces of MoS2 : basal and edge planes. The edge plane was theoretically predicted to be more electroactive than the basal plane, but evidence from direct experimental comparison is elusive. Herein, the first study comparing the two surfaces of MoS2 by using macroscopic crystals is presented. A careful investigation of the electrochemical properties of macroscopic MoS2 pristine crystals with precise control over the exposure of one plane surface, that is, basal plane or edge plane, was performed. These crystals were characterized thoroughly by AFM, Raman spectroscopy, X-ray photoelectron spectroscopy, voltammetry, digital simulation, and DFT calculations. In the Raman spectra, the basal and edge planes show anisotropy in the preferred excitation of E2g and A1g phonon modes, respectively. The edge plane exhibits a much larger heterogeneous electron transfer rate constant k(0) of 4.96×10(-5) and 1.1×10(-3) ?cm?s(-1) for [Fe(CN)6 ](3-/4-) and [Ru(NH3 )6 ](3+/2+) redox probes, respectively, compared to the basal plane, which yielded k(0) tending towards zero for [Fe(CN)6 ](3-/4-) and about 9.3×10(-4) ?cm?s(-1) for [Ru(NH3 )6 ](3+/2+) . The industrially important hydrogen evolution reaction follows the trend observed for [Fe(CN)6 ](3-/4-) in that the basal plane is basically inactive. The experimental comparison of the edge and basal planes of MoS2 crystals is supported by DFT calculations. PMID:25821017
Charge carrier transport properties in layer structured hexagonal boron nitride
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 ? ? (T/T{sub 0}){sup ??} with ? = 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 ?? = 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.
NASA Astrophysics Data System (ADS)
Sofin, R. G. S.; Wu, Han-Chun; Ramos, R.; Arora, S. K.; Shvets, I. V.
2015-11-01
We studied Fe3O4 (110) films grown epitaxially on MgO (110) substrates using oxygen plasma assisted molecular beam epitaxy. The films with thickness of 30-200 nm showed anisotropic in-plane partial strain relaxation. Magneto resistance (MR) measurements with current and magnetic field along ?001? direction showed higher MR compared to ?1 ¯ 10 ? direction. Maximum value of MR was measured at Verwey transition temperature for both directions. We explain the observed anisotropy in the MR on the basis of the effects of anisotropic misfit strain, and the difference between the density of antiferromagnetically coupled antiphase boundaries formed along ?001? and ?1 ¯ 10 ? crystallographic directions, suggesting the dependence of spin polarisation on the anisotropic strain relaxation along the said crystallographic directions.
Nonlinear Transport Properties of Electron Y-Branch Switches
NASA Astrophysics Data System (ADS)
Worschech, Lukas; Hartmann, David; Lang, Stefan; Spanheimer, D.; Müller, Christian R.; Forchel, Alfred
Nonlinear transport properties of Y-branched semiconductor nanostructures were studied in the non-linear transport regime. The Y-branch switches (YBSs) were defined by electron beam lithography and wet etching techniques in modulation doped GaAs/AlGaAs heterostructures. Due to capacitive couplings between different branches, YBSs can be used as amplifiers, inverters, bistable switches and compact logic gates with functional integration. Room temperature operation of a logic gate with gain solely based on coupled YBSs without external load resistors is reviewed.
Magneto-optical transport properties of monolayer phosphorene
NASA Astrophysics Data System (ADS)
Tahir, M.; Vasilopoulos, P.; Peeters, F. M.
2015-07-01
The electronic properties of monolayer phosphorene are exotic due to its puckered structure and large intrinsic direct band gap. We derive and discuss its band structure in the presence of a perpendicular magnetic field. Further, we evaluate the magneto-optical Hall and longitudinal optical conductivities as functions of temperature, magnetic field, and Fermi energy, and show that they are strongly influenced by the magnetic field. The imaginary part of the former and the real part of the latter exhibit regular interband oscillations as functions of the frequency ? in the range ? ? ˜1.5 -2 eV . Strong intraband responses in the latter and weak ones in the former occur at much lower frequencies. The magneto-optical response can be tuned in the microwave-to-terahertz and visible frequency ranges in contrast with a conventional two-dimensional electron gas or graphene in which the response is limited to the terahertz regime. This ability to isolate carriers in an anisotropic structure may make phosphorene a promising candidate for new optical devices.
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.
Modeling transport properties of inhomogeneous superconductor-metal composites
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.
Electrical Transport Properties of Liquid Al-Cu Alloys
NASA Astrophysics Data System (ADS)
Thakore, B. Y.; Khambholja, S. G.; Suthar, P. H.; Jani, A. R.
2010-06-01
Electrical transport properties viz. electrical resistivity, thermoelectric power and thermal conductivity of liquid Al-Cu alloys as a function of Cu concentration have been studied in the present paper. Ashcroft empty core model potential has been used to incorporate the ion-electron interaction. To incorporate the exchange and correlation effects, five different forms of local field correction functions viz. Hartree, Taylor, Ichimaru et al., Farid et al. and Sarkar et al. have been used. The transport properties of binary system have been studied using Faber-Ziman formulation combined with Ashcroft-Langreth (AL) partial structure factor. The computed values of electrical resistivity are compared with experimental data and for low Cu concentration, good agreement has been observed. Further, thermoelectric power and thermal conductivity have also been predicted.
NASA Astrophysics Data System (ADS)
Gerts, David Walter
A new method for approximating anisotropic, multi-group scatter cross sections for use in discretized and Monte Carlo multi-group neutron transport is presented. The new method eliminates unphysical artifacts such as negative group scatter cross sections and falsely positive cross sections. Additionally, when combined with the discrete elements angular quadrature method, the new cross sections eliminate the lack of angular support in the discrete ordinates quadrature method. The new method generates piecewise-average group-to-group scatter cross sections. The accuracy and efficiency for calculating the discrete elements cross sections has improved by many orders of magnitude compared to DelGrande and Mathews previous implementation. The new cross sections have extended the discrete elements method to all neutron-producing representations in the Evaluated Nuclear Data Files. The new cross section method has been validated and tested with the cross section generation code, NJOY. Results of transport calculations using discrete elements, discrete ordinates, and Monte Carlo methods for two, one-dimensional slab geometry problems are compared.
Zhan, Xin, Ph. D. Massachusetts Institute of Technology
2010-01-01
The objective of this thesis is to better understand the transport and seismoelectric (SE) properties of porous permeable rock. Accurate information of rock transport properties, together with pore geometry, can aid us to ...
Using moisture transport properties of rice seed components for identifying fissure resistance
Thomas, Audrey Elizabeth
2002-01-01
Fissure resistance was related to the moisture transport properties of Cypress, Lemont, LaGrue, and Teqing rice varieties. The moisture transport properties, moisture diffusivity and resistance, were calculated using a three-dimensional moisture...
Electrical transport properties of polycrystalline monolayer molybdenum disulfide.
Najmaei, Sina; Amani, Matin; Chin, Matthew L; Liu, Zheng; Birdwell, A Glen; O'Regan, Terrance P; Ajayan, Pulickel M; Dubey, Madan; Lou, Jun
2014-08-26
Semiconducting MoS2 monolayers have shown many promising electrical properties, and the inevitable polycrystallinity in synthetic, large-area films renders understanding the effect of structural defects, such as grain boundaries (GBs, or line-defects in two-dimensional materials), essential. In this work, we first examine the role of GBs in the electrical-transport properties of MoS2 monolayers with varying line-defect densities. We reveal a systematic degradation of electrical characteristics as the line-defect density increases. The two common MoS2 GB types and their specific roles are further examined, and we find that only tilt GBs have a considerable effect on the MoS2 electrical properties. By examining the electronic states and sources of disorder using temperature-dependent transport studies, we adopt the Anderson model for disordered systems to explain the observed transport behaviors in different temperature regimes. Our results elucidate the roles played by GBs in different scenarios and give insights into their underlying scattering mechanisms. PMID:25019978
Viscoelastic properties of actin networks influence material transport
NASA Astrophysics Data System (ADS)
Stam, Samantha; Weirich, Kimberly; Gardel, Margaret
2015-03-01
Directed flows of cytoplasmic material are important in a variety of biological processes including assembly of a mitotic spindle, retraction of the cell rear during migration, and asymmetric cell division. Networks of cytoskeletal polymers and molecular motors are known to be involved in these events, but how the network mechanical properties are tuned to perform such functions is not understood. Here, we construct networks of either semiflexible actin filaments or rigid bundles with varying connectivity. We find that solutions of rigid rods, where unimpeded sliding of filaments may enhance transport in comparison to unmoving tracks, are the fastest at transporting network components. Entangled solutions of semiflexible actin filaments also transport material, but the entanglements provide resistance. Increasing the elasticity of the actin networks with crosslinking proteins slows network deformation further. However, the length scale of correlated transport in these networks is increased. Our results reveal how the rigidity and connectivity of biopolymers allows material transport to occur over time and length scales required for physiological processes. This work was supported by the U. Chicago MRSEC
a Theory of Transport Properties of Random Alloys
NASA Astrophysics Data System (ADS)
Resendes, David Grave
A theory of the low temperature transport properties of a random substitutional binary alloy is presented that formulates the single site approximations (SSA)--both the average t-matrix (ATA) and the coherent potential (CPA) approximations--along lines entirely parallel to those introdued by P. N. Argyres for the equilibrium properties. An energy-dependent statistical density operator is introduced, in terms of which many transport properties can be evaluated, and which is simply related to a dynamical quantity K(,F)(z,z('')). The central problem of evaluating the average of this quantity over the random elements of the constitution of the alloy--the configuration-averaged
26 CFR 49.4271-1 - Tax on transportation of property by air.
Code of Federal Regulations, 2010 CFR
2010-04-01
... 26 Internal Revenue 16 2010-04-01 2010-04-01 true Tax on transportation of property by air. 49... (CONTINUED) MISCELLANEOUS EXCISE TAXES FACILITIES AND SERVICES EXCISE TAXES Transportation of Property § 49.4271-1 Tax on transportation of property by air. (a) Purpose of this section. In general, section...
26 CFR 49.4271-1 - Tax on transportation of property by air.
Code of Federal Regulations, 2011 CFR
2011-04-01
... 26 Internal Revenue 16 2011-04-01 2011-04-01 false Tax on transportation of property by air. 49.4271-1 Section 49.4271-1 Internal Revenue INTERNAL REVENUE SERVICE, DEPARTMENT OF THE TREASURY (CONTINUED) MISCELLANEOUS EXCISE TAXES FACILITIES AND SERVICES EXCISE TAXES Transportation of Property § 49.4271-1 Tax on transportation of property by...
26 CFR 49.4271-1 - Tax on transportation of property by air.
Code of Federal Regulations, 2012 CFR
2012-04-01
... 26 Internal Revenue 16 2012-04-01 2012-04-01 false Tax on transportation of property by air. 49... (CONTINUED) MISCELLANEOUS EXCISE TAXES FACILITIES AND SERVICES EXCISE TAXES Transportation of Property § 49.4271-1 Tax on transportation of property by air. (a) Purpose of this section. In general, section...
26 CFR 49.4271-1 - Tax on transportation of property by air.
Code of Federal Regulations, 2013 CFR
2013-04-01
... 26 Internal Revenue 16 2013-04-01 2013-04-01 false Tax on transportation of property by air. 49.4271-1 Section 49.4271-1 Internal Revenue INTERNAL REVENUE SERVICE, DEPARTMENT OF THE TREASURY (CONTINUED) MISCELLANEOUS EXCISE TAXES FACILITIES AND SERVICES EXCISE TAXES Transportation of Property § 49.4271-1 Tax on transportation of property by...
Anisotropic properties of a single superconducting CaCuO2/SrTiO3 interface
NASA Astrophysics Data System (ADS)
Salvato, M.; Tieri, G.; Balestrino, G.; Di Castro, D.
2015-09-01
The transport properties of CaCuO2/SrTiO3 single interfaces are studied by resistance versus temperature measurements in external magnetic fields. The superconducting anisotropy ? ={? }a-b/{? }c, where {? }a-b and {? }c are the superconducting coherence lengths parallel and perpendicular to the interface, respectively, shows values higher than that previously obtained for CaCuO2/SrTiO3 superlattices deposited in the same conditions. The larger anisotropy, observed for the single interfaces, indicates that the charge carriers are confined inside a thin superconducting layer next to the interface rather than spread throughout the whole CaCuO2 block. The activation energy and the irreversibility line confirm this hypothesis, suggesting that quasi two-dimensional transport is dominant in this system. The interpretation of the experimental data in the framework of the Berezinskii-Kosterlitz-Thouless theory confirms that the thickness of the superconducting sheet layer is about 1 nm, corresponding roughly to two CaCuO2 unit cells.
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 transport properties since such systems are halfmetallic in nature and promise the possibilities of spin injection and detection. The study was extended to dilute magnetic semiconducting nanowire system of Cd1-xMnxTe which possess both magnetic and semiconducting properties. In summary, the studies made in this thesis will offer a new understanding of spin transport behavior for future technology.
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.
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.
Continuity properties of transport coefficients in simple maps
Keller, Gerhard; Klages, Rainer
2008-01-01
We consider families of dynamics that can be described in terms of Perron-Frobenius operators with exponential mixing properties. For piecewise C^2 expanding interval maps we rigorously prove continuity properties of the drift J(l) and of the diffusion coefficient D(l) under parameter variation. Our main result is that D(l) has a modulus of continuity of order O(|dl||log|dl|)^2), i.e. D(l) is Lipschitz continuous up to quadratic logarithmic corrections. For a special class of piecewise linear maps we provide more precise estimates at specific parameter values. Our analytical findings are verified numerically for the latter class of maps by using exact formulas for the transport coefficients. We numerically observe strong local variations of all continuity properties.
Li, Yijing; Barbic, Jernej
2015-10-01
The Finite Element Method (FEM) is commonly used to simulate isotropic deformable objects in computer graphics. Several applications (wood, plants, muscles) require modeling the directional dependence of the material elastic properties in three orthogonal directions. We investigate linear orthotropic materials, a special class of linear anisotropic materials where the shear stresses are decoupled from normal stresses, as well as general linear (non-orthotropic) anisotropic materials. Orthotropic materials generalize transversely isotropic materials, by exhibiting different stiffness in three orthogonal directions. Orthotropic materials are, however, parameterized by nine values that are difficult to tune in practice, as poorly adjusted settings easily lead to simulation instabilities. We present a user-friendly approach to setting these parameters that is guaranteed to be stable. Our approach is intuitive as it extends the familiar intuition known from isotropic materials. Similarly to linear orthotropic materials, we also derive a stability condition for a subset of general linear anisotropic materials, and give intuitive approaches to tuning them. In order to simulate large deformations, we augment linear corotational FEM simulations with our orthotropic and general anisotropic materials. PMID:26340037
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 and fractal dimension of the pore space geometry. Discretization effects are taken into account. Furthermore, as we aim to simulate transport processes in complex and large systems in 3D, following upscaling technique is checked against the original calculations. The pore space of the media is approximated in the form of a capillary network by converting the pore space throats between the grains into lines in 2D and polygons in 3D. Effective flow and transport properties are calculated on such network models and compared with the results obtained for original geometry.
Low temperature carrier transport properties in isotopically controlled germanium
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.
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).
Electronic correlation and transport properties of nuclear fuel materials
NASA Astrophysics Data System (ADS)
Yin, Quan; Kutepov, Andrey; Haule, Kristjan; Kotliar, Gabriel; Savrasov, Sergey Y.; Pickett, Warren E.
2011-11-01
The electronic structures and transport properties of a series of actinide monocarbides, mononitrides, and dioxides are studied systematically using a combination of density-functional theory and dynamical mean-field theory. The studied materials present different electronic correlation strength and degree of localization of 5f electrons, where a metal-insulator boundary naturally lies within. In the spectral function of Mott-insulating uranium oxide, a resonance peak is observed in both theory and experiment and may be understood as a generalized Zhang-Rice state. We also investigate the interplay between electron-electron and electron-phonon interactions, both of which are responsible for the transport in the metallic compounds. Our findings allow us to gain insight in the roles played by different scattering mechanisms, and suggest how to improve their thermal conductivities.
Transport properties of zigzag graphene nanoribbon decorated with copper clusters
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.
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.
Transport properties of individual C{sub 60}-molecules
Géranton, G.; Seiler, C.; Evers, F.; Center for Functional Nanostructures, Karlsruhe Institute of Technology, Campus South, D-76131 Karlsruhe; Institut für Theorie der Kondensierten Materie, Karlsruhe Institute of Technology, Campus South, D-76128 Karlsruhe ; Bagrets, A.; Steinbuch Center for Supercomputing, Karlsruhe Institute of Technology, D-76128 Karlsruhe ; 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.
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.
Study of electronic transport properties of doped 8AGNR
Sharma, Uma Shankar; Srivastava, Anurag; Verma, U. P.
2014-04-24
The electronic and transport properties of 8-armchair graphene nanoribbon (8AGNR) with defect at different sites are investigated by performing first-principles calculations based on density functional theory (DFT). The calculated results show that the 8AGNR are semiconductor. The introduction of 3d transition metals, creates the nondegenerate states in the conduction band, makes 8AGNR metallic. The computed transmission spectrum confirms that AGNR are semiconducting in nature and their band gap remain unchanged and localized states appear when there is vacancy in their structures, and the conductance decreases due to defects compared with the pristine nanoribbon.
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 volume fraction, nearest neighbor probability, domain size distribution, shape factor, and Fourier transform coefficient. These metrics are compared between 2D FIB/SEM, 3D FIB/SEM and X-ray structures. Among those metrics, the first three metrics are used as a basis for SG model parameterization. The 3D stochastic grid (SG) model is based on Monte Carlo techniques, in which a small set of fundamental inter-domain parameters are used to generate structures. This allows us to predict electrode microstructure and its effects on both electronic and ionic properties.
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.
Predicting the transport properties of sedimentary rocks from microgeometry
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.
Simplified curve fits for the transport properties of equilibrium air
NASA Astrophysics Data System (ADS)
Srinivasan, S.; Tannehill, J. C.
1987-12-01
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).
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).
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.
Anisotropic universe with anisotropic sources
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.
Quantum Molecular Dynamics calculation of electrical and thermal transport properties
NASA Astrophysics Data System (ADS)
Desjarlais, Michael
2011-10-01
Dense, strongly-coupled plasmas, with degenerate or partially degenerate electrons--ubiquitous in high energy density physics, inertial fusion, planetary science, and warm dense matter--are very difficult to describe accurately with traditional theoretical approaches. Over the last decade, density functional based molecular dynamics, also know as quantum molecular dynamics (QMD), has emerged as a powerful tool for the study of dense quantum plasmas, providing accurate equation of state, structural, and transport properties. This talk will focus on the QMD calculation of electrical and thermal conductivities with a much higher degree of accuracy than was possible with earlier methods. Within the density functional approach, electrical and thermal conductivities are extracted directly from the electronic orbitals using the Kubo-Greenwood and Chester-Thellung formalisms, circumventing the need to define the ionization states and collision cross sections. These transport calculations have now been used to generate several wide-range transport models for use in large-scale simulation codes, allowing unprecedented simulations of complex experiments. Sandia National Laboratories is a multi program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.
Transport properties of a narrow self-affine fracture
NASA Astrophysics Data System (ADS)
Auradou, H.; Drazer, G.; Hulin, J. P.; Koplik, J.
2003-04-01
The main objective of our work is to determine the transport properties of an individual fracture. Specifically, we focus on properties such as conductivity, permeability and dispersion that characterize transport processes in a fracture. We are performing numerical and experimental (field and laboratory) investigations of the problem, focusing on the relationship between the geometry of the free space of the fracture and its transport properties. We present our experimental [1] and numerical [2] results on the dispersion of a solute in a narrow fracture, where narrow means that the aperture or gap size of the fracture is smaller than the vertical fluctuations of the walls of the fracture over the system size. In the experiments, the fracture consists of two complementary and transparent casts of a granite rough fracture surface. The topographies of the fracture surfaces are obtained using a profilometer that allows a detailed analysis of the statistical properties of the heights of the surfaces. The surface roughness is found to be "self-affine", meaning that the amplitude of the roughness increases (statistically) with the size of the fracture with a power law of exponent H. The latter named the Hurst or roughness exponent is found to be close to 0.8 for all the granite fracture surfaces. The experimental setup allowed us to control both the opening of the fracture and the lateral shift (if any) between the two opposite matching surfaces. A steady radial flow of a transparent fluid is first established in the fracture. The same fluid but dyed is then injected in the flow and its spreading is recorded using a video camera. We have shown that the initial flat shape of the invading front is increasingly distorted over a broad range of length scales and contains many details which have self-affine properties characterized by an exponent close to that one characterizing the heights of the fracture walls. A numerical study of the dispersion process using lattice Boltzmann method has been also performed. The Lattice-Boltzmann method is well suited to simulate fluid flow in irregular geometries, and allowed us to investigate the detailed properties of the flow field. In particular, we were able to simulate the fully 3D velocity field, which is critical for fractures without lateral shift, since in that case the aperture is constant everywhere and the standard lubrication approximation fails to describe the behavior of the flow. We also studied the statistical properties of the details of the fronts and a relationship between the fracture wall roughness exponent and the geometry of the distorted fronts is derived. Finally, we will also discuss the influence of the direction of the shift between fracture surfaces, on the dispersivity of tracer particles and on the permeability of the fracture. Preliminary results indicates that the spreading of a solute is larger when the mean flow is perpendicular to direction of the shift, which corresponds to the direction of highest permeability. [1] H . AURADOU, J.P. HULIN AND S. ROUX, Experimental study of miscible displacement fronts in rough self-affine fractures. Phys. Rev. E 63, 066306. [2] G. DRAZER, J. KOPLIK, Transport in rough self-affine fracture. Phys. Rev. E 66, 026303.
NASA Astrophysics Data System (ADS)
Chacon, L.; Endeve, E.
2013-10-01
Modeling electron transport in magnetized plasmas is extremely challenging due to the extreme anisotropy between the parallel (to the magnetic field) and perpendicular directions (the transport-coefficient ratio ?? /?? ~1010 in fusion plasmas). Recently, an asymptotic preserving semi-Lagrangian approach has been developed that is able to deal with arbitrary anisotropy ratios and non-trivial magnetic topologies in an accurate and efficient manner. The approach is shown to avoid spatial discretization pollution, and to feature bounded numerical errors for arbitrary ?? /?? ratios, which renders it asymptotic preserving. However, it is only first-order accurate in time. In this poster, we explore spectral deferred correction (SDC) methods to produce a high-order asymptotic preserving algorithm, using the first-order semi-Lagrangian algorithm as the inner solver for the corrector step. We will show that the combination SDC+semi-Lagrangian features a numerical stability constraint, but one which is benign for sufficiently large anisotropy ratios. Work funded by DOE-ASCR.
TASK 7 DEMONSTRATION OF THAMES FOR MICROSTRUCTURE AND TRANSPORT PROPERTIES
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 did not exist, so that it is in the early stages of development. However, extensive experience with 3-D microstructure models at NIST is making possible a timely development process.
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.
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.
Kundu, T; Yang, X; Nakatani, H; Takeda, N
2015-02-01
Acoustic source localization techniques generally assume straight line propagation of waves from the acoustic source to the sensor. However, it is well-known that in anisotropic plates the acoustic energy does not always propagate in straight lines. Even for isotropic plates containing a cavity or an inclusion between the acoustic source and the sensor the straight line propagation assumption is violated. In such cases only options available in localizing acoustic source is to use relatively expensive distributed sensor systems, or to follow time reversal techniques based on the impulse response functions which is labor intensive and computationally demanding. A two-step hybrid technique is proposed in this paper for predicting acoustic source in anisotropic plates. During the first step it was assumed that the waves propagated along straight lines from the acoustic source to the sensor. The source was localized with this simplifying assumption. Then this first prediction was improved in the second step by solving an optimization problem. Experimental results showed that the second step always moved the estimates towards the actual source location. Thus it always reduced the prediction error irrespective of whether the final prediction coincided with the actual source location or not. PMID:25245206
Anisotropic in-plane strain and transport in epitaxial Nd0.2Sr0.8MnO3 thin films
NASA Astrophysics Data System (ADS)
Neupane, K. P.; Neumeier, J. J.; Cohn, J. L.
2009-12-01
The structure, morphology, and electrical properties of epitaxial a-axis-oriented thin films of Nd0.2Sr0.8MnO3 are reported for thicknesses of 10 nm?t?150 nm. Films were grown with both tensile and compressive strain on various substrates. It is found that the elongated crystallographic c-axes of the films remain fully strained to the substrates for all thicknesses in both strain states. Relaxation of the a and b axes is observed for t ?65 nm, with films grown under tensile strain developing uniaxial crack arrays (running along the c axis) due to a highly anisotropic thermal expansion. For the latter films, the room-temperature in-plane electrical resistivity anisotropy, ?b/?c, increases approximately exponentially with increasing film thickness to values of ˜1000 in the thickest films studied. Films under tension have their Néel temperatures enhanced by ?25 K independent of thickness, consistent with an enhancement in ferromagnetic exchange along their expanded c axes.
Thermomagnetic Transport in Polycrystalline Samples
NASA Astrophysics Data System (ADS)
Zebarjadi, M.
2015-10-01
Polycrystalline/single-phase nanocomposite samples are used widely for thermoelectrics and many other applications. The presence of many interfaces improves the thermoelectric properties by suppressing phonon transport more than electron transport. When polycrystalline samples are made out of anisotropic crystals, it is not clear how the transport properties are related to those of single crystal. In this paper, we describe a simple process of averaging over different crystallographic directions to calculate the properties of isotropic polycrystalline samples made out of anisotropic crystals. We apply the developed averaging model to (Bi0.2Sb0.8)2Te3 samples for which experimental data are available. We further point out the importance of thermomagnetic measurements in providing additional information on electron relaxation times, compared with what regular thermoelectric measurements reveal.
Optical and Transport Properties of Organic Molecules: Methods and Applications
NASA Astrophysics Data System (ADS)
Strubbe, David Alan
Organic molecules are versatile and tunable building blocks for technology, in nanoscale and bulk devices. In this dissertation, I will consider some important applications for organic molecules involving optical and transport properties, and develop methods and software appropriate for theoretical calculations of these properties. Specifically, we will consider second-harmonic generation, a nonlinear optical process; photoisomerization, in which absorption of light leads to mechanical motion; charge transport in junctions formed of single molecules; and optical excitations in pentacene, an organic semiconductor with applications in photovoltaics, optoelectronics, and flexible electronics. In the Introduction (Chapter 1), I will give an overview of some phenomenology about organic molecules and these application areas, and discuss the basics of the theoretical methodology I will use: density-functional theory (DFT), time-dependent density-functional theory (TDDFT), and many-body perturbation theory based on the GW approximation. In the subsequent chapters, I will further discuss, develop, and apply this methodology. 2. I will give a pedagogical derivation of the methods for calculating response properties in TDDFT, with particular focus on the Sternheimer equation, as will be used in subsequent chapters. I will review the many different response properties that can be calculated (dynamic and static) and the appropriate perturbations used to calculate them. 3. Standard techniques for calculating response use either integer occupations (as appropriate for a system with an energy gap) or fractional occupations due to a smearing function, used to improve convergence for metallic systems. I will present a generalization which can be used to compute response for a system with arbitrary fractional occupations. 4. Chloroform (CHCl3) is a small molecule commonly used as a solvent in measurements of nonlinear optics. I computed its hyperpolarizability for second-harmonic generation with TDDFT with a real-space grid, finding good agreement with calculations using localized bases and with experimental measurements, and that the response is very long-ranged in space. 5. N C 60 is an endohedral fullerene, a sphere of carbon containing a single N atom inside, which is weakly coupled electronically. I show with TDDFT calculations that a laser pulse can excite the vibrational mode of this N atom, transiently turning on and off the system's ability to undergo second-harmonic generation. The calculated susceptibility is as large as some commercially used frequency-doubling materials. 6. A crucial question in understanding experimental measurements of nonlinear optics and their relation to device performance is the effect of the solution environment on the properties of the isolated molecules. I will consider possible explanations for the large enhancement of the hyperpolarizability of chloroform in solution, demonstrate an ab initio method of calculating electrostatic effects with local-field factors, and derive the equations necessary for a full calculation of liquid chloroform. 7. Many-body perturbation theory, in the GW approximation for quasiparticle band-structure and Bethe-Salpeter equation for optical properties, is a powerful method for calculations in solids, nanostructures, and molecules. The BerkeleyGW code is a freely available implementation of this methodology which has been extensively tested and efficiently parallelized for use on large systems. 8. Molecular junctions, in which a single molecule is contacted to two metallic leads, are interesting systems for studying nanoscale transport. I will present a method called DFT+Sigma which approximates many-body perturbation theory to enable accurate and efficient calculations of the conductance of these systems. 9. Azobenzene is a molecule with the unusual property that it can switch reversible between two different geometries, cis and trans, upon absorption of light. I have calculated the structures of these two forms when absorbed on the Au(111) surface, to understand scanning
RELATIONSHIP BETWEEN CELL SURFACE PROPERTIES AND TRANSPORT OF BACTERIA THROUGH SOIL
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...
The calculation of transport properties in quantum liquids using the maximum entropy numerical
Rabani, Eran
The calculation of transport properties in quantum liquids using the maximum entropy numerical function, combined with the maximum entropy numerical analytic continuation approach to study transport to experimental measurements and other theoretical predic- tions. Improvement of the methodology and future
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)
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.
Dynamical and transport properties of liquid gallium at high pressures.
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. PMID:26172802
Dynamical and transport properties of liquid gallium at high pressures
NASA Astrophysics Data System (ADS)
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/cm3, the temperature increases rapidly along the Hugoniot, and the optical conductivity decreases, indicating simple liquid metal behavior.
Transport properties of hadronic matter in magnetic field
Guru Kadam
2015-03-06
We study the effect of magnetic field on the transport properties like shear and bulk viscosities of hot and dense hadronic matter within hadron resonance gas model. We estimate the bulk viscosity using low energy theorems for bilocal correlators of the energy momentum tensor generalized to finite temperature, density and magnetic field. We use Gaussian ansatz for the spectral function at low frequency. We estimate shear viscosity coefficient using molecular kinetic theory. We find that vacuum contribution due to finite magnetic field dominates the bulk viscosity ({\\zeta}) for the temperatures up to 0.1GeV and increases with magnetic field while ratio {\\zeta}/s decreases with magnetic field. We also find that shear viscosity coefficient of hadronic matter decreases with magnetic field.
Dark matter transport properties and rapidly rotating neutron stars
C. J. Horowitz
2012-05-16
Neutron stars are attractive places to look for dark matter because their high densities allow repeated interactions. Weakly interacting massive particles (WIMPs) may scatter efficiently in the core or in the crust of a neutron star. In this paper we focus on WIMP contributions to transport properties, such as shear viscosity or thermal conductivity, because these can be greatly enhanced by long mean free paths. We speculate that WIMPs increase the shear viscosity of neutron star matter and help stabilize r-mode oscillations. These are collective oscillations where the restoring force is the Coriolis force. At present r-modes are thought to be unstable in many observed rapidly rotating stars. If WIMPs stabilize the r-modes, this would allow neutron stars to spin rapidly. This likely requires WIMP-nucleon cross sections near present experimental limits and an appropriate density of WIMPs in neutron stars.
Optical and transport properties of dense liquid silica
NASA Astrophysics Data System (ADS)
Qi, Tingting; Millot, Marius; Kraus, Richard G.; Root, Seth; Hamel, Sebastien
2015-06-01
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.
The electrical transport properties of liquid Rb using pseudopotential theory
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.
Electrical Transport Properties of Liquid Sn-Sb Binary Alloys
NASA Astrophysics Data System (ADS)
Thakore, B. Y.; Suthar, P. H.; Khambholja, S. G.; Jani, A. R.
2010-06-01
The study of electrical transport properties viz. electrical resistivity, thermo electrical power and thermal conductivity of liquid Sn-Sb binary alloys have been made by our well recognized single parametric model potential. In the present work, screening functions due to Hartree, Taylor, Ichimaru et al.. Farid et al.. and Sarkar et al.. have been employed to incorporate the exchange and correlation effects. The liquid alloy is studied as a function of its composition at temperature 823 K according to the Faber-Ziman model. Further, thermoelectric power and thermal conductivity have been predicted. The values of electrical resistivity of binary alloys computed with Ichimaru et al. and Farid et al.. screening function are in good agreement with the experimental data.
Transport properties of tetrahedral, network-forming ionic melts.
Agarwal, Manish; Ganguly, Abir; Chakravarty, Charusita
2009-11-19
Molecular dynamics simulations of liquid silica and beryllium fluoride are performed using the van Beest-Kramer-van Santen and transferable rigid ion model potentials, respectively, in order to compare transport properties. The ionic conductivity (sigma), shear viscosity (eta) and ionic self-diffusivities (D(+/-)) are computed over a fairly wide range of temperatures and densities and deviations from Arrhenius behavior along different isochores is studied. The Stokes-Einstein relation is shown to hold over the entire range of state points, though the effective hydrodynamic radius shows small variations due to thermal fluctuations, compression, and local tetrahedral order. Several alternative tests of the Nernst-Einstein relation are implemented which show that significant network-formation in the anomalous regime leads to a breakdown of this relationship. The relaxation times, tau(sigma) and tau(M), associated with the decay of the charge-flux and pressure ACFs respectively, are computed. In the anomalous regime, as the tetrahedral network formation progresses, tau(M) increases rapidly while tau(sigma) shows very little variation, indicating a decoupling of charge and momentum transport processes. PMID:19860439
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.
Transport properties of ultrathin black phosphorus on hexagonal boron nitride
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.
Electron Transport Materials: Synthesis, Properties and Device Performance
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}).
Transport properties of elastically coupled fractional Brownian motors
NASA Astrophysics Data System (ADS)
Lv, Wangyong; Wang, Huiqi; Lin, Lifeng; Wang, Fei; Zhong, Suchuan
2015-11-01
Under the background of anomalous diffusion, which is characterized by the sub-linear or super-linear mean-square displacement in time, we proposed the coupled fractional Brownian motors, in which the asymmetrical periodic potential as ratchet is coupled mutually with elastic springs, and the driving source is the external harmonic force and internal thermal fluctuations. The transport mechanism of coupled particles in the overdamped limit is investigated as the function of the temperature of baths, coupling constant and natural length of the spring, the amplitude and frequency of driving force, and the asymmetry of ratchet potential by numerical stimulations. The results indicate that the damping force involving the information of historical velocity leads to the nonlocal memory property and blocks the traditional dissipative motion behaviors, and it even plays a cooperative role of driving force in drift motion of the coupled particles. Thus, we observe various non-monotonic resonance-like behaviors of collective directed transport in the mediums with different diffusion exponents.
Coherent structures and transport properties in magnetized plasmas
NASA Astrophysics Data System (ADS)
Serianni, G.; Agostini, M.; Antoni, V.; Cavazzana, R.; Martines, E.; Sattin, F.; Scarin, P.; Spada, E.; Spolaore, M.; Vianello, N.; Zuin, M.
2007-12-01
A common feature of magnetized plasmas is the presence of fluctuations, which can lead to fully developed turbulence. Often large events—called bursts—emerge from the remaining low-level turbulence, giving an intermittent character to fluctuations; namely the statistical properties of fluctuations are found to depend on the temporal scale over which the investigation is conducted. In magnetized plasmas, the bursts are generally believed to be due to the presence of magnetic-field-aligned structures. Moreover, it has been experimentally shown that the intermittent events detected in the signals are associated with a relevant contribution to the loss of particles from the plasma. All these observations are common to plasmas spanning a wide range of temperature and density and magnetically confined both in linear and toroidal devices. In particular, in high-temperature plasmas for thermonuclear fusion, research aims at devising suitable ways to control transport by acting on the plasma structures, for instance by biasing the plasma edge using electrodes. This paper gives a characterization of the structures found in magnetized plasmas and of their contribution to the particle transport; moreover, the effect of the velocity shear on structures is addressed. Emphasis will be laid on to the most advanced diagnostics allowing the reconstruction of turbulent structures by optical and electrostatic techniques.
Predicting the transport properties of sedimentary rocks from microstructure
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.
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
...2010-07-01 false Is property acquired en route eligible for transportation at Government...302-7.10 Is property acquired en route eligible for transportation at Government expense? No, property acquired en route will not be eligible for...
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.
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.
Magnetic and transport properties of diluted granular multilayers
NASA Astrophysics Data System (ADS)
Silva, H. G.; Gomes, H. L.; Pogorelov, Y. G.; Pereira, L. M. C.; Kakazei, G. N.; Sousa, J. B.; Araújo, J. P.; Mariano, J. F. L.; Cardoso, S.; Freitas, P. P.
2009-12-01
The magnetic and transport properties of Co80Fe20(t)/Al2O3(4 nm) multilayers with low nominal thicknesses t =0.7 and 0.9 nm of Co80Fe20 granular layers are studied. Magnetic studies find a superparamagnetic state above the blocking temperature Tb (of field-cooled/zero-field-cooled splitting) that grows with t and decreases with H. The low-voltage Ohmic tunnel transport passes to non-Ohmic I ?V3/2 law for applied fields above ˜500 V/cm. At fixed V, the temperature dependence of conductance reveals an anomalous dip around ˜220 K, which can be attributed to the effect of surface contamination by supercooled water. Current-in-plane tunnel magnetoresistance (MR) ratio tends, at lower t, to higher maximum values (˜8% at room temperature) but to lower field sensitivity. This may indicate growing discorrelation effect (e.g., between shrinking areas of correlated moments) in this regime and corroborates the deficit of granule magnetization estimated from the Inoue-Maekawa MR fit, compared to that from direct magnetization measurements. MR displays a mean-field-like critical behavior when t approaches the point of superparamagnetic/superferromagnetic transition (tc˜1.3 nm at room temperature) from below, different from the formerly reported percolationlike behavior at approaching it from above. With growing temperature, MR reveals, beyond the common decrease, an anomalous plateau from Tb˜30-50 K up to some higher value T?˜150-200 K, not seen at higher t.
Thermodynamic and anisotropic properties of single crystalline RCo2Ge2 (R = Y, La-Nd, Sm-Tm)
NASA Astrophysics Data System (ADS)
Kong, Tai; Buffon, Malinda; Lin, Xiao; Thaler, Alex; Cunningham, Charles; Bud'Ko, Sergey; Canfield, Paul
2013-03-01
Single crystals of RCo2Ge2 (R = Y, La-Nd, Sm-Tm) were grown using a self-flux method and were characterized from 1.8-300 K by heat capacity, magnetization and in-plane resistivity measurements. Anisotropic metamagnetism was studied at 1.8 K up to 9 T. Due to a strong crystal electric field (CEF) effect, the magnetic ordering temperatures of the heavy rare earth members do not follow the de Gennes scaling, but rather a CEF modified trend. The RCo2Ge2 series offers an opportunity to study different types of magnetic anisotropy ranging from Heisenberg-like GdCo2Ge2 to Ising-like TbCo2Ge2. Correlation between the local moments and conduction electrons as well as the influence of interplay between CEF effect and long-range indirect exchange interaction (RKKY type) will also be discussed. This work is supported by the US DOE, Basic Energy Sciences under Contract No. DE-AC02-07CH11358.
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.
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 °C in 27 nm films was evidenced, indicating changes in molecular conformations with respect to the temperature. pCBAA and pEGMA brushes displayed no thermal transitions, suggesting that the molecular conformations of these systems were insensitive to temperature in the investigated regime. The surface energy of a dimensionally constrained inorganic system, graphene is studied via local Hamaker constant determination from a single graphene layer to bulk graphite. Intrinsic friction scattering analysis of dipolar fluctuations of the Van der Waals interactions between an atomic force microscopy tip and graphene layers revealed a four-fold reduction in the surface energy from bulk HOPG to graphene. A numerical analysis based on electron energy loss spectroscopy confirms quantitatively the results.
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.
Avalanche properties in a transport model based on critical-gradient fluctuation dynamics
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.
Correlating Transport Behavior with Cell Properties for Eight Porcine Escherichia coli Isolates
Technology Transfer Automated Retrieval System (TEKTRAN)
In this study we investigate how growth stage and depositional environment affect variability of cell properties and transport behavior of eight porcine E. coli isolates. We compared the surface properties and transport behavior for cells harvested at two different growth stages (exponential and sta...
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.
Influence of Si Co-doping on electrical transport properties of magnesium-doped boron nanoswords
Gao, Hongjun
Influence of Si Co-doping on electrical transport properties of magnesium- doped boron nanoswords://apl.aip.org/about/rights_and_permissions #12;Influence of Si Co-doping on electrical transport properties of magnesium-doped boron nanoswords; published online 9 March 2012) Magnesium-doped boron nanoswords were synthesized via a thermoreduction
Influence of Calcium Hydroxide Dissolution on the Transport Properties of Hydrated Cement Systems
Bentz, Dale P.
Influence of Calcium Hydroxide Dissolution on the Transport Properties of Hydrated Cement Systems;INFLUENCE OF CALCIUM HYDROXIDE DISSOLUTION ON THE TRANSPORT PROPERTIES OF HYDRATED CEMENT SYSTEMS Jacques, Gaithersburg, MD 20899, USA ABSTRACT Calcium hydroxide is one of the main reaction products resulting from
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.
Glass foams: formation, transport properties, and heat, mass, and radiation transfer
Pilon, Laurent
models for thermophysical and transport properties and heat, mass, and radiation transfer in glass foamsGlass foams: formation, transport properties, and heat, mass, and radiation transfer Andrei G melting are extremely complex with the heat and mass transfer issues being of key importance. A schematic
NASA Astrophysics Data System (ADS)
Kosaka, Masataka; Monde, Masanori
2015-09-01
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, ? c , is independent of direction, where ? is the density and c is the heat capacity.
Spectral functions of charmonium from 2 flavour anisotropic lattice data
Aoife Kelly; Jon-Ivar Skullerud; Chris Allton; Dhagash Mehta; Mehmet B. Oktay
2013-12-03
The spectral functions of QCD can give us insight into properties of hadrons, and they are useful in probing the QCD vacuum. I will discuss the correlators and spectral functions of charmonium in high temperature two flavour QCD. The spectral functions have been obtained using the Maximum Entropy Method from anisotropic lattice data using the conserved vector current. This work has been done as part of the FASTSUM collaboration. We find that the spectral functions for zero momentum are stable. At non-zero momentum the spectral functions are less stable but still produce resonance and transport peaks. This work is part of our programme to calculate the heavy quark diffusion constant.
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
... 41 Public Contracts and Property Management 4 2010-07-01 2010-07-01 false Is property acquired en route eligible for transportation at Government expense? 302-7.10 Section 302-7.10 Public Contracts and Property Management Federal Travel Regulation System RELOCATION ALLOWANCES TRANSPORTATION AND STORAGE OF PROPERTY 7-TRANSPORTATION AND...
41 CFR 302-7.10 - Is property acquired en route eligible for transportation at Government expense?
Code of Federal Regulations, 2011 CFR
2011-07-01
... 41 Public Contracts and Property Management 4 2011-07-01 2011-07-01 false Is property acquired en route eligible for transportation at Government expense? 302-7.10 Section 302-7.10 Public Contracts and Property Management Federal Travel Regulation System RELOCATION ALLOWANCES TRANSPORTATION AND STORAGE OF PROPERTY 7-TRANSPORTATION AND...
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 diskettes are compressed using the PKWARE archiving tools. The utility to unarchive the files, PKUNZIP.EXE, is included. This program was last updated in 1991. SUN and SunOS are registered trademarks of Sun Microsystems, Inc.
Transport Properties of Nanoscale Materials by First-principles Calculations
NASA Astrophysics Data System (ADS)
Mizuseki, Hiroshi; Belosludov, Rodion V.; Lee, S.-U.; Kawazoe, Yoshiyuki
2009-03-01
Molecular devices are potential candidates for the next step towards nanoelectronic technology. Our group has covered a wide range of nanoscale wires, which have potential application in molecular electronics using first-principles calculations and nonequilibrium Green's function formalism [1]. Our target materials are supramolecular enamel wires (covered wires) [2], connection between organic molecules and metal electrodes, self-assembled nanowires on silicon surface [3], porphyrin [4], phthalocyanine, metallocene [5], fused-ring thiophene molecules, length dependence of conductance in alkanedithiols and so on. Namely, we have investigated a relationship of the energy levels of delocalized frontier orbitals (HOMO and LUMO) and Fermi level of metal electrodes and estimate the electronic transport properties through atomic and molecular wires using Green's function approach. References [1] http://www-lab.imr.edu/˜mizuseki/nanowire.html [2] R. V. Belosludov, A. A. Farajian, H. Baba, H. Mizuseki, and Y. Kawazoe, Jpn. J. Appl. Phys., 44, 2823 (2005). [3] R. V. Belosludov, A. A. Farajian, H. Mizuseki, K. Miki, and Y. Kawazoe, Phys. Rev. B, 75, 113411 (2007). [4] S.-U. Lee, R. V. Belosludov, H. Mizuseki, and Y. Kawazoe, Small 4 (2008) 962. [5] S.-U Lee, R. V. Belosludov, H. Mizuseki, and Y. Kawazoe, J. Phys. Chem. C. 111 (2007) 15397.
Thermodynamic and transport properties of superconducting Mg10B2.
Finnemore, D K; Ostenson, J E; Bud'ko, S L; Lapertot, G; Canfield, P C
2001-03-12
Transport and thermodynamic properties of a sintered pellet of the newly discovered MgB2 superconductor have been measured to determine the characteristic critical magnetic fields and critical current densities. Both resistive transition and magnetization data give similar values of the upper critical field, Hc2, with magnetization data giving dHc2/dT = 0.44 T/K at the transition temperature of Tc = 40.2 K. Close to the transition temperature, magnetization curves are thermodynamically reversible, but at low temperatures the trapped flux can be on the order of 1 T. The value of dHc/dT at Tc is estimated to be about 12 mT/K, a value similar to classical superconductors like Sn. Hence, the Ginzburg-Landau parameter kappa approximately 26. Estimates of the critical supercurrent density, Jc, using hysteresis loops and the Bean model, give critical current densities on the order of 10(5) A/cm2. Hence the supercurrent coupling through the grain boundaries is comparable to intermetallics like Nb3Sn. PMID:11289944
Valuation of utility and transportation property: a classified annotated bibliography
Clatanoff, R.M.
1983-01-01
A selected, classified, annotated bibliography is presented with 270 references to published works on the appraisal and assessment of utilities and transportation companies. It does not include works on the taxation of these enterprises unless material on valuation is included, and it does not include works on valuation unless material on these enterprises is included. The bibliography does not include references to articles on current events; for these the reader should consult such publications as Engineering News-Record; Public Utilities Fortnightly; Commerce Clearing House's State Tax Review (for news of statutory law and regulations), and the Assessment and Valuation Legal Reporter (for news of case law). Works selected for inclusion were chosen primarily from those published since 1970. Charles F. Conlon's 1971 paper, The Unitary Approach to the Appraisal of Public Utility Property for Tax Purposes, concludes with a classified bibliography of publications up to 1970. Certain major pre-1970 works, which readers would expecte to find in a bibliography on this topic, are listed here, as are all the references from an earlier IAAO bibliography (which this one supersedes).
Cross-plane phonon transport properties of molybdenum disulphide
NASA Astrophysics Data System (ADS)
Wei, Zhiyong; Liu, Biao; Liu, Chenhan; Bi, Kedong; Yang, Juekuan; Chen, Yunfei
2015-11-01
The cross-plane thermal conductivity of a molybdenum disulphide (MoS2) film is calculated from the nonequilibrium molecular dynamics simulation. The results show that, unlike graphite which has a slow convergent speed, the thermal conductivity of MoS2 tends to a convergent value when the film thickness is beyond about 40?nm. We also construct the cross-plane thermal conductivity of bulk MoS2 as an accumulation function of the phonon mean free path (MFP). It is found that phonons with MFPs below 40?nm contribute ~90% of the MoS2 cross-plane thermal conductivity at room temperature. This critical size of the phonon MFP is about two orders of magnitude smaller than that of graphite. Further calculations show that the shorter cross-plane phonon MFPs in bulk MoS2 may result from the lower phonon cut-off frequency and the mismatch of phonon density of state between Mo and S due to the mass difference. The phonon transport properties obtained would be helpful in the design and optimization of MoS2-based devices.
NASA Astrophysics Data System (ADS)
Qiu, Q. Y.; Alpay, S. P.; Nagarajan, V.
2010-06-01
We develop a nonlinear thermodynamic model to predict the phase stability of ultrathin epitaxial (001)-oriented ferroelectric PbZr1-xTixO3 (PZT) films with x =1.0, 0.9, 0.8, and 0.7 on substrates which induce anisotropic in-plane strains. The theoretical formalism incorporates the relaxation by misfit dislocations at the film deposition temperature, the possibility of formation of ferroelectric polydomain structures, and the effect of the internal electric field that is generated due to incomplete charge screening at the film-electrode interfaces and the termination of the ferroelectric layer. This analysis allows the development of misfit strain phase diagrams that provide the regions of stability of monodomain and polydomain structures at a given temperature, film thickness, and composition. It is shown that the range of stability for rotational monodomain phase is markedly increased in comparison to the same ferroelectric films on isotropic substrates. Furthermore, the model finds a strong similarity between ultrathin PbTiO3 and relatively thicker PZT films in terms of phase stability. The combinations of the in-plane misfit strains that yield a phase transition sequence that results in a polarization rotation from the c-phase (polarization parallel to the [001] direction in the film) to the r-phase, and eventually to an in-plane polarization parallel to the [110] direction (the aa-phase) is determined to be the path with the most attractive dielectric and piezoelectric coefficients resulting in enhancements of 10 to 100 times in the dielectric permittivity and piezoresponse compared to bulk tetragonal ferroelectrics of the same PZT composition.
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 spin transistor based on boron nitride nanotube (BNNT) quantum dot. The TMR and exchange energy in BNNT based spin transistor are found to switch sign with the increase of the gate field. The direct application of BNNT in electronic devices in several instances is hindered due to its large band gap. However, the functionalization of BNNT with different foreign species allows us to tune the band gap of BNNT. Fluorine functionalization in BNNT increases its conductance by more then 2 orders, as well as it induces strong magnetism in BNNT. The fluorine functionalization in BNNT thus has opened up the possibility of using the BNNT in future electronics and spintronics. Our study shows that a long range ferromagnetic spin ordering exists in the fluorinated BNNT even at a temperature much above the room temperature. Our spin polarized transport study further shows that the fluorine functionalization in BNNT not only enhances its conductance by more than two orders but also makes it a perfect spin filter with efficiency more than 99%. Our transport study is based upon an orbital dependent density functional theory and a single particle Green's function approach.
Bottom-up processing and low temperature transport properties of polycrystalline SnSe
NASA Astrophysics Data System (ADS)
Ge, Zhen-Hua; Wei, Kaya; Lewis, Hutton; Martin, Joshua; Nolas, George S.
2015-05-01
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.
Kanai, Yoshikatsu; Endou, Hitoshi
2003-02-01
The absorption, distribution and excretion of most of xenobiotics, drugs, environmental toxins and their metabolites are mediated by membrane transporters. Recent advances in the transporter molecular biology have made it possible to investigate the mechanisms of transport of those exogenous compounds and their transporter-mediated toxicity at the molecular level. Exogenous compounds including drugs and toxic substances occurring in the environment pass through the transporters with broad substrate selectivity, namely "multispecific" transporters, taking advantage of the multispecific nature to exert their toxic effects. The remarkable examples of such transporter-mediated toxicity are 1-methyl-4-phenyl-2,3-dihydropyridinium (MPP+)-neurotoxicity mediated by dopamine transporters, cephaloridine-nephrotoxicity mediated by organic anion transporters and methylmercury-toxicity mediated by system L amino acid transporters. The molecular identification of system L transporter LAT1 (L-type amino acid transporter 1) has lead to the understanding of the mechanisms of their multispecific substrate recognition and revealed their localization at the blood-brain barrier and placental barrier. LAT1 relies on the hydrophobic interaction between substrate amino acid side chains and the substrate binding site, so that many variations are possible for the substrate amino acid side chains, which is the basis of the broad substrate selectivity. System L transporters, thus, function as a path for the membrane permeation of drugs and toxic compounds occurring in the environment with amino acid-related structures. Beside methylmercury-cysteine conjugate, amino acid-related neurotoxins such as beta-N-methylamino-L-alanine, S-(1,2-dichlorovinyl)-L-cysteine and 3-hydroxykynurenine are proposed to pass through system L transporters to exert their toxicity. Because the presence of such transporters is crucial for the manifestation of the organ toxicity, the inhibition of the transporters would be expected to be beneficial to prevent the disorders caused by the transporter-mediated toxicity. PMID:12696180
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 disordered structure observed in diblock polymer melts near the order-disorder transition. In the resulting solid PEMs, the conductivity and modulus are both high, exceeding the 1 mS/cm and approaching the 1 GPa metrics, respectively, often cited for lithium-metal batteries. In the final chapter, an alternative synthetic route to generate nanostructured PEMs is presented. This strategy relies on the formation of a thermodynamically stable network morphology exhibited by a triblock terpolymer prepared with crosslinking moieties along the backbone. Although the mechanical properties of the resulting PEM are excellent, the conductivity is found to be somewhat limited by network defects that result from the solvent-casting procedure.
High field transport properties of a bilayer graphene
NASA Astrophysics Data System (ADS)
Bhargavi, K. S.; Kubakaddi, S. S.
2014-02-01
The high electric field transport properties namely, hot electron energy loss rate P, momentum loss rate Q, electron temperature Te and drift velocity Vd are studied theoretically in a bilayer graphene (BLG) by employing the momentum and energy balance technique. P and Q are investigated as a function of Te by considering the electron interaction with the acoustic phonons (APs) and the surface polar phonons (SPPs). In the Bloch-Grüneisen regime P (Q) due to APs is ~Te4 (Te2.5), with a new feature of a kink appearing due to the chiral nature of the electrons. The predicted Te4 is consistent with the recent experimental observation of heat resistance (Yan et al. Nature Nanotechnology 3 (2012) 472 [35]). Hot phonon effect is taken into account for SPPs. A dip has been observed in the hot phonon distribution of SPPs, a new feature, which is not found in conventional two-dimensional electron gas, and this can be attributed to the chiral nature of the electrons. P (Q) due to SPPs is found to be dominant at about Te>150 (180) K for a lattice temperature T=4.2 K. It is observed that the hot phonon effect is found to reduce P and Q due to SPPs significantly. Te and Vd are calculated as a function of the electric field E by taking into account the additional channels for momentum relaxation due to Coulomb impurity (CI) and short-range disorder (SD). Te is found to increase with the increasing electric field and is significantly enhanced by the hot phonon effect. Low field Vd is found to be limited by CI, SD and APs and in the high field region it reaches a near saturation value. The hot phonon effect tends to reduce the value of Vd. The presence of disorders CI and SD reduces Vd significantly and in clean samples larger saturation velocity can be achieved at a relatively smaller E.
Temperature dependence of transport properties in liquid metals
NASA Astrophysics Data System (ADS)
Sayem El-Daher, Moustafa
2001-12-01
Using the Ziman formula, which results from solving the linearized Boltzmann equation, the electrical and thermal resistivities of selected metals in the liquid state are calculated over a range of temperatures, at and above the melting point. In previous studies of liquid metals, the electrical resistivity was calculated for only a very few cases and only at the melting point. In most cases the calculated structure factor S(q), if used, was obtained from simple models like the hard sphere or empty-core pair potential model. By doing the calculations over a range of temperatures, beyond the melting point and using a better S(q), we gain considerable insight into the transport properties of liquid metals. By calculating the thermal resistivity over the same range of temperatures we explain the deviation of the ratio of electrical and thermal resistivities from the Wiedemann-Franz law, which holds well for lower temperatures. The form factor is calculated for each liquid metal based on the model potential suggested by Taylor et al., including screening effects, by using the screening function of Geldart and Taylor. The liquid structure factors are calculated, in some cases, from the radial distribution function obtained from Monte Carlo simulations based on the same model potential mentioned above and used in the form factor construction. Both the calculated structure factors and the experimental structure factors obtained from x-ray scattering are used in the Ziman formula to obtain the thermal and electrical resistivities. The results are compared to experimental values and to other theoretical calculations done at the melting point for each of the selected metals using different model potentials and form factors or other theoretical methods.
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 that could be applied to all cubic polycrystals, and (iv) identification of the locations of readily available or easily processable ODFs (e.g. textures that are produced by rolling, drawing, etc.) on the property closures. It is anticipated that the advances communicated in this paper will make the mathematical framework of MSD highly accessible to the mechanical designers.
Todorov, Iliya; Chung, Duck Young; Ye, Linhui; Freeman, Arthur J; Kanatzidis, Mercouri G
2009-06-01
We report the synthesis, structure, spectroscopic properties, charge and thermal transport, and electronic structure of a new member of the Zintl family, Yb(5)Al(2)Sb(6). The compound crystallizes in the Ba(5)Al(2)Bi(6) structure type and requires the addition of Ge or Si in the synthesis, which appears to act as a catalyst. Yb(5)Al(2)Sb(6) has an anisotropic structure with infinite anionic double chains cross-linked by Yb(2+) ions. Polycrystalline ingots of Yb(5)Al(2)Sb(6) prepared in the presence of 0.5 mol equiv of Ge showed room-temperature conductivity, thermopower, and thermal conductivity of approximately 1100 S/cm, approximately 20 microV/K, and approximately 3.8 W/m.K, respectively. Investigations of other solid solutions of Yb(5)Al(2)Sb(6), doping effects, and chemical modifications are discussed. Sr only partially replaces Yb in the structure leading to Sr(0.85)Yb(4.15)Al(2)Sb(6). Electronic structure calculations performed using a highly precise full-potential linearized augmented plane wave method within the density functional theory scheme show the presence of a negative band gap and suggest incomplete electron transfer and a metallic character to the compound. PMID:19374366
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.
Conformal Anisotropic Quantum Cosmology
J. F. Chagoya; M. Sabido
2012-12-14
In this paper we apply the ideas put forward by Ho\\v{r}ava, and introduce anisotropic transformations to cosmology. We start with the Kantowski-Sachs cosmological model and impose anisotropic transformation invariance on the minisuperspace variables. We study the symmetries of the anisotropic model and by canonical quantization find a Schr\\"odinger type equation for $z\
Equations of state and transport properties of mixtures in the warm dense regime
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.
NASA Technical Reports Server (NTRS)
Svehla, R. A.; Mcbride, B. J.
1973-01-01
Program performs calculations such as chemical equilibrium for assigned thermodynamic states, theoretical rocket performance for both equilibrium and frozen compositions during expansion, incident and reflected shock properties, and Chapman-Jouget detonation properties. Features include simplicity of input and storage of all thermodynamic and transport property data on master tape.
Nanosize storage properties in spinel Li4Ti5O12 explained by anisotropic surface lithium insertion.
Ganapathy, Swapna; Wagemaker, Marnix
2012-10-23
Nanosizing is a frequently applied strategy in recent years to improve storage properties of Li-ion electrodes and facilitate novel storage mechanisms. Due to particle size reduction, surface effects increasingly dominate, which can drastically change the storage properties. Using density functional theory calculations we investigate the impact of the surface environment on the Li-ion insertion properties in defective spinel Li(4+x)Ti(5)O(12), a highly promising negative electrode material. The calculations reveal that the storage properties strongly depend on the surface orientation. The lowest energy (1 1 0) surface is predicted to be energetically favorable for Li-ion insertion into the vacant 16c sites. The (1 1 1) surface allows capacities that significantly exceed the bulk capacity Li(7)Ti(5)O(12) at voltages greater than 0 V by occupation of 8a sites in addition to the fully occupied 16c sites. One of the key findings is that the surface environment extends nanometers into the storage material, leading to a distribution of voltages responsible for the curved voltage profile commonly observed in nanosized insertion electrode materials. Both the calculated surface-specific voltage profiles and the calculated particle size dependent voltage profiles are in good agreement with the experimental voltage profiles reported in literature. These results give a unique insight into the impact of nanostructuring and further possibilities of tailoring the Li-ion voltage profiles and capacities in lithium insertion materials. PMID:22953788
Vandegehuchte, Maurits W; Steppe, Kathy
2012-05-01
Heat-pulse methods to determine sap flux density in trees are founded on the theory of heat conduction and heat convection in an isotropic medium. However, sapwood is clearly anisotropic, implying a difference in thermal conductivity along and across the grain, and hence necessitates the theory for an anisotropic medium. This difference in thermal conductivities, which can be up to 50%, is, however, not taken into account in the key equation leading to the currently available heat-pulse methods. Despite this major flaw, the methods remain theoretically correct as they are based on derivations of the key equation, ruling out any anisotropic aspects. The importance of specifying the thermal characteristics of the sapwood according to axial, tangential or radial direction is revealed as well as referring to and using the proper anisotropic theory in order to avoid confusion and misinterpretation of thermal properties when dealing with sap flux density measurements or erroneous results when modelling heat transport in sapwood. PMID:22407648
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.
Quasiparticle band structures and thermoelectric transport properties of p-type SnSe
NASA Astrophysics Data System (ADS)
Shi, Guangsha; Kioupakis, Emmanouil
2015-03-01
We used density functional and many-body perturbation theory to calculate the band structure 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 within the constant relaxation time approximation as a function of doping concentration and temperature for single-crystal and polycrystalline materials to understand experimental measurements. The electronic transport coefficients are highly anisotropic and are strongly affected by bipolar transport effects at low doping and high temperature. Our results indicate that SnSe exhibits optimal thermoelectric performance at high temperature when doped in the 1019-1020 cm-3 range. This work was supported in part by the National Science Foundation (DMR-1254314) and in part by CSTEC, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science. Computational resources were provided by the DOE NERSC facility.
Quasiparticle band structures and thermoelectric transport properties of p-type SnSe
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.
Electrolytes: transport properties and non-equilibrium thermodynamics
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.
Optical characterization of complex mechanical and thermal transport properties
Johnson, Jeremy A. (Jeremy Andrew)
2011-01-01
Time-resolved impulsive stimulated light scattering (ISS), also known as transient grating spectroscopy, was used to investigate phonon mediated thermal transport in semiconductors and mechanical degrees of freedom linked ...
Transport properties of semiconducting nanocrystal arrays at low temperatures.
Beloborodov, I. S.; Glatz, A.; Vinokur, V. M.; Materials Science Division
2007-02-01
We study the electron transport in semiconducting nanocrystal arrays at temperatures T << E{sub c}, where E{sub c} is the charging energy for a single grain. In this temperature range the electron transport is dominated by co-tunneling processes. We discuss both elastic and inelastic co-tunneling and show that for semiconducting nanocrystal arrays the inelastic contribution is strongly suppressed at low temperatures. We also compare our results with available experimental data.
Free approximation of transport properties in organic system using Stochastic Random Matrix Theory
Xie, Wanqin, S.M. Massachusetts Institute of Technology
2014-01-01
The proposed research is a study and application of Stochastic analysis- Random Matrix Theory(RMT) to fast calculate the transport properties of large static systems with relatively large disorder in mesoscopic size. As a ...
Electron Irradiation Induced Changes of the Electrical Transport Properties of Graphene
Woo, Sung Oh
2014-08-06
This research investigates the effect of electron irradiation on transport properties in graphene Field Effect Transistor (FET) devices. Upon irradiation, graphene is doped with electrons and adsorbs molecules by transfer of accumulated electrons...
Transport properties of high-temperature air in a magnetic field
Bruno, D.; Capitelli, M.; Catalfamo, C.; Giordano, D.
2011-01-15
Transport properties of equilibrium air plasmas in a magnetic field are calculated with the Chapman-Enskog method. The range considered for the temperature is [50-50 000] K and for the magnetic induction is [0-300] T.
Anisotropic Ripple Deformation in Phosphorene.
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. PMID:26263304
Heat transport properties of clean spin ladders coupled to phonons: Umklapp scattering and drag
Mehta, Pankaj
Heat transport properties of clean spin ladders coupled to phonons: Umklapp scattering and drag E; published 17 December 2007 We study the low-temperature heat transport in clean two-leg spin-ladder compounds coupled to three- dimensional phonons. We argue that the very large heat conductivities observed
Structural, electrical and anisotropic properties of Tl{sub 4}Se{sub 3}S chain crystals
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.
Zhong, Hong-Xia; Shi, Jun-Jie; Yang, Li
2015-01-01
We report many-body perturbation theory calculations of excited-state properties of distorted 1-T diamond-chain monolayer rhenium disulfide (ReS2) and diselenide (ReSe2). Electronic self-energy substantially enhances their quasiparticle band gaps and, surprisingly, converts monolayer ReSe2 to a direct-gap semiconductor, which was, however, regarded to be an indirect one by density-functional-theory calculations. Their optical absorption spectra are dictated by strongly bound excitons. Unlike hexagonal structures, the lowest-energy bright exciton of distorted 1-T ReS2 exhibits a perfect figure-8 shape polarization dependence but those of ReSe2 only exhibit a partial polarization dependence, which results from two nearly-degenerated bright excitons whose polarization preferences are not aligned. Our first-principles calculations are in agreement with experiments and pave the way for optoelectronic applications.
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 femtosecond laserpulses of variable wavelengths. We show that we can grow a silica layer on the gold rods with controllable thickness. In future this can be used to control the alignment of the gold rods a 3D crystal in an electric field. The silica coated gold rods can be used in optical switches. In chapter 4 we show to have a very local control of changing the aspect ratio of gold rods by irradiation with femtosecond laserpulses of 82 MHz with a threshold of ~ 2 picojoules to deform the particles. In chapter 5 and 6 we show how, starting from spherical particles, dimers (dumbbells), trimers and multimers can be formed by controlled aggregation. Chapter 7 finally shows an overview of syntheses where the pores of (mainly) silica particles is decreased. We show that the pores of the given particles could be decreased from macroporous to (ultra)microporous. Through a full control of pore size particles can selectively be filled with materials (for instance a drug) and be controllably closed. This opens a route for synthesis of particles that can be used as molecular filters or in biomedical applications such as smart drug delivery.
41 CFR 302-7.11 - Is property acquired en route eligible for transportation at Government expense?
Code of Federal Regulations, 2014 CFR
2014-07-01
... 41 Public Contracts and Property Management 4 2014-07-01 2014-07-01 false Is property acquired en... Property Management Federal Travel Regulation System RELOCATION ALLOWANCES TRANSPORTATION AND STORAGE OF PROPERTY 7-TRANSPORTATION AND TEMPORARY STORAGE OF HOUSEHOLD GOODS, PROFESSIONAL BOOKS, PAPERS,...
41 CFR 302-7.11 - Is property acquired en route eligible for transportation at Government expense?
Code of Federal Regulations, 2013 CFR
2013-07-01
... 41 Public Contracts and Property Management 4 2013-07-01 2012-07-01 true Is property acquired en... 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,...
41 CFR 302-7.11 - Is property acquired en route eligible for transportation at Government expense?
Code of Federal Regulations, 2012 CFR
2012-07-01
... 41 Public Contracts and Property Management 4 2012-07-01 2012-07-01 false Is property acquired en... 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,...
Magnetic and transport properties of Co1±? Cr2?? Se4
NASA Astrophysics Data System (ADS)
Svitlyk, Volodymyr; Kolodiazhnyi, Taras; Cranswick, Lachlan M. D.; Luke, Graeme; Mozharivskyj, Yurij
2015-10-01
Single crystals of {{{Co}}}1+/- ? {{{Cr}}}2\\mp ? {{{Se}}}4 were grown using chemical vapor method with CrCl3 as a transporting agent. Magnetic measurements on the {{{Co}}}1+/- ? {{{Cr}}}2\\mp ? {{{Se}}}4 crystals confirm an antiferromagnetic ordering below the Neel temperature of T N = 230 K. Neutron diffraction studies performed on the {{{Co}}}1+/- ? {{{Cr}}}2\\mp ? {{{Se}}}4 powder show that the long-range antiferromagnetic ordering is accompanied by a doubling of the c crystallographic axe. For the {{{Co}}}1+/- ? {{{Cr}}}2\\mp ? {{{Se}}}4 single crystals electrical resistivity displays an anisotropic behavior: resistivitiy within the (100) plane increases till T N and then decreases as temperature increases. Resistivity in the orthogonal direction increases with temperature with a change in the slope above T N. Muon spin relaxation experiments on the {{{Co}}}1+/- ? {{{Cr}}}2\\mp ? {{{Se}}}4 crystals confirm both the long-range magnetic order and ordering temperature established by other techniques.
Electronic and transport properties in geometrically disordered graphene antidot lattices
NASA Astrophysics Data System (ADS)
Fan, Zheyong; Uppstu, Andreas; Harju, Ari
2015-03-01
A graphene antidot lattice, created by a regular perforation of a graphene sheet, can exhibit a considerable band gap required by many electronics devices. However, deviations from perfect periodicity are always present in real experimental setups and can destroy the band gap. Our numerical simulations, using an efficient linear-scaling quantum transport simulation method implemented on graphics processing units, show that disorder that destroys the band gap can give rise to a transport gap caused by Anderson localization. The size of the defect-induced transport gap is found to be proportional to the radius of the antidots and inversely proportional to the square of the lattice periodicity. Furthermore, randomness in the positions of the antidots is found to be more detrimental than randomness in the antidot radius. The charge carrier mobilities are found to be very small compared to values found in pristine graphene, in accordance with recent experiments.
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.
Temperature dependence of electronic transport property in ferroelectric polymer films
NASA Astrophysics Data System (ADS)
Zhao, X. L.; Wang, J. L.; Tian, B. B.; Liu, B. L.; Zou, Y. H.; Wang, X. D.; Sun, S.; Sun, J. L.; Meng, X. J.; Chu, J. H.
2014-10-01
The leakage current mechanism of ferroelectric copolymer of polyvinylidene fluoride with trifluoroethylene prepared by Langmuir-Blodgett was investigated in the temperature range from 100 K to 350 K. The electron as the dominant injected carrier was observed in the ferroelectric copolymer films. The transport mechanisms in copolymer strongly depend on the temperature and applied voltage. From 100 K to 200 K, Schottky emission dominates the conduction. With temperature increasing, the Frenkel-Poole emission instead of the Schottky emission to conduct the carrier transport. When the temperature gets to 260 K, the leakage current becomes independent of temperature, and the space charge limited current conduction was observed.
The effect of electron induced hydrogenation of graphene on its electrical transport properties
Woo, Sung Oh; Teizer, Winfried; WPI-Advanced Institute for Materials Research, Tohoku University, Sendai
2013-07-22
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.
Colloquium: Structural, electronic, and transport properties of silicon nanowires
Wu, Zhigang
and the properties diverge significantly from those of bulk silicon. These wires can be treated within electronic, whereas, on the other hand, they are believed to be among the most important building blocks of the next are an extremely attractive alternative to CNTs because it is much easier to control their electrical properties
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.
Testing different formulations of leading-order anisotropic hydrodynamics
Leonardo Tinti; Radoslaw Ryblewski; Wojciech Florkowski; Michael Strickland
2015-05-24
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 the 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.
Electronic and transport properties of nanotubes Jean-Christophe Charlier*
Podgornik, Rudolf
of conduction regimes and transport length scales will be presented using simple models of disorder the effect of realistic static scatterers chemical impurities, adsorbed molecules, etc. or inelastic electron, will be addressed, including excitonic effects in optical experiments, the Coulomb-blockade regime
Transport Properties of the Dust Components in Weakly Ionized Plasma
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.
Effects of disorder on the transport properties of chemically derived graphene
NASA Astrophysics Data System (ADS)
Eda, Goki; Ball, James; Xiao, Ye; Maher, Robert; Cohen, Lesley; Anthopoulos, Thomas; Chhowalla, Manish
2011-03-01
Transport properties of chemically derived graphene (CDG) are strongly influenced by the concentration of defects that are introduced during synthesis. We present a comprehensive transport study on a range of CDG films with varying degrees of disorder. The electric properties of CDG were found to be tunable over several orders of magnitude via controlled oxidation and reduction. The structural properties of CDG were monitored by analyzing the defect-related features in the Raman spectra and correlated with transport. The temperature dependence of the resistivity of these samples indicate that the conduction mechanism evolves from tunneling to hopping for strongly disordered samples and to activated transport for weakly disordered samples. Strong disorder causes localization of carriers and field-dependent modulation of hopping conduction. We discuss the temperature- and gate-bias-dependence of the resistivity of weakly disordered samples in terms of scattering dominated by midgap states, as is the case in ion irradiated graphene.
Properties of uracil transport by vegetative mycelium of Trichoderma viride.
Lakatos, B; Simkovic, M; Betina, V; Varecka, L
1999-02-15
The transport of radioactively labelled uracil into submerged mycelium of T. viride was measured by means of a membrane filtration technique. It was found to be time-dependent (up to 90 min) and concentration-dependent (up to 8 mmol l-1). Its concentration dependence was biphasic and consisted from the saturatable part (at the uracil concentration below 0.2 mmol l-1) with KM = 0.08 +/- 0.02 mmol l-1 and Vmax = 1.74 +/- 0.3 nmol (mg dry wt.)-1 h-1, and from the region at higher uracil concentration which showed only a weak saturatability with the substrate. The transport measured in the saturatable part of the curve was also pH- and temperature-dependent. The optimal pH was between 5.4 and 6.4 and the optimal temperature was at 37 degrees C. The activation energy of 54 kJ mol-1 and the temperature quotient of Q10 = 2.1 could be calculated from the temperature dependence. The entry of uracil was in part inhibited by nucleobases and their analogues, nucleosides, nucleotides and amino acids. The inhibitors had similar inhibitory efficiency about 50% at 0.2 mmol l-1. 3,3',4',5-tetrachlorosalicylanilide (TCS), the uncoupling agent, significantly inhibited the uracil transport, but its inhibitory efficiency decreased upon increasing the uracil concentration. Ionophore antibiotics valinomycin and monensin also inhibited the uracil transport. Inhibitors of RNA-polymerase, rifamycin and rifampicin were without effect. The results suggest that at low uracil concentrations (below 0.2 mmol l-1), its transport is mediated by a carrier and is driven by the electrochemical potential of protons. At higher uracil concentrations, the transport may be driven by the concentration difference of uracil with the contribution of the protonmotive force. It is feasible that inhibitors of uracil transport tested exert their inhibition by the dissipation of the driving force rather than by the direct competition with the substrate-binding site. PMID:10077840
Dettmann, Carl
Transport and dynamical properties for a bouncing ball model with regular and stochastic ball model are studied. The particles are confined to bounce between two rigid walls. One of them statistical properties related to the diffusion in energy for an ensemble of classical particles in a bouncing
Basic knowledge on radiative and transport properties to begin in thermal plasmas modelling
NASA Astrophysics Data System (ADS)
Cressault, Y.
2015-05-01
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.
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.
Thermodynamic and transport property modeling in super critical water
Kutney, Michael C. (Michael Charles)
2005-01-01
Supercritical water oxidation (SCWO) is a thermally-based, remediation and waste-treatment process that relies on unique property changes of water when water is heated and pressurized above its critical point. Above its ...
Determination of Transport Properties in Chromium Disilicide Nanowires via
Shi, Li
, growth direction, surface roughness, and defects. However, conducting TE property measurement and crystal nanowires were characterized using a suspended microdevice and correlated with the crystal structure and growth direction obtained by transmission electron microscopy on the same nanowires. The obtained
Anisotropic nanomaterials: structure, growth, assembly, and functions
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
Comparison on thermal transport properties of graphene and phosphorene nanoribbons
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
Comparison on thermal transport properties of graphene and phosphorene nanoribbons
NASA Astrophysics Data System (ADS)
Peng, Xiao-Fang; Chen, Ke-Qiu
2015-11-01
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.
Comparison on thermal transport properties of graphene and phosphorene nanoribbons.
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
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 ? 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 ? 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 ? 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.
NASA Astrophysics Data System (ADS)
Swanson, Ryan D.; Binley, Andrew; Keating, Kristina; France, Samantha; Osterman, Gordon; Day-Lewis, Frederick D.; Singha, Kamini
2015-02-01
The advection-dispersion equation (ADE) fails to describe commonly observed non-Fickian solute transport in saturated porous media, necessitating the use of other models such as the dual-domain mass-transfer (DDMT) model. DDMT model parameters are commonly calibrated via curve fitting, providing little insight into the relation between effective parameters and physical properties of the medium. There is a clear need for material characterization techniques that can provide insight into the geometry and connectedness of pore spaces related to transport model parameters. Here, we consider proton nuclear magnetic resonance (NMR), direct-current (DC) resistivity, and complex conductivity (CC) measurements for this purpose, and assess these methods using glass beads as a control and two different samples of the zeolite clinoptilolite, a material that demonstrates non-Fickian transport due to intragranular porosity. We estimate DDMT parameters via calibration of a transport model to column-scale solute tracer tests, and compare NMR, DC resistivity, CC results, which reveal that grain size alone does not control transport properties and measured geophysical parameters; rather, volume and arrangement of the pore space play important roles. NMR cannot provide estimates of more-mobile and less-mobile pore volumes in the absence of tracer tests because these estimates depend critically on the selection of a material-dependent and flow-dependent cutoff time. Increased electrical connectedness from DC resistivity measurements are associated with greater mobile pore space determined from transport model calibration. CC was hypothesized to be related to length scales of mass transfer, but the CC response is unrelated to DDMT.
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.
Anisotropic models for compact stars
NASA Astrophysics Data System (ADS)
Maurya, S. K.; Gupta, Y. K.; Ray, Saibal; Dayanandan, Baiju
2015-05-01
In the present paper we obtain an anisotropic analog of the Durgapal and Fuloria (Gen Relativ Gravit 17:671, 1985) perfect fluid solution. The methodology consists of contraction of the anisotropic factor with the help of both metric potentials and . Here we consider the same as Durgapal and Fuloria (Gen Relativ Gravit 17:671, 1985) did, whereas is as given by Lake (Phys Rev D 67:104015, 2003). The field equations are solved by the change of dependent variable method. The solutions set mathematically thus obtained are compared with the physical properties of some of the compact stars, strange star as well as white dwarf. It is observed that all the expected physical features are available related to the stellar fluid distribution, which clearly indicates the validity of the model.
Designing chromonic mesogens for the fabrication of anisotropic optical materials
NASA Astrophysics Data System (ADS)
Tam-Chang, Suk-Wah; Huang, Liming; Gyan, Aryal; Seo, Wonewoo; Mahinay, Delfin; Iverson, Isaac K.
2008-02-01
Perylene monoimides and diimides have applications as luminescent materials and in organic photovoltaic devices as chromophores and conducting materials. Materials in which these compounds are oriented in a preferred direction will possess useful anisotropic properties that are not attainable from materials in which the compounds are randomly oriented. Anisotropic materials of these compounds can be prepared by taking advantage of the unique properties of chromonic liquid crystals. In this paper we describe the principles for designing perylene monoimides and diimides with desired optical properties and chromonic liquid-crystalline properties. In addition, we demonstrate the fabrication of anisotropic optical materials via organization of these compounds into a lyotropic chromonic liquidcrystalline phase.
Field Theory of Anisotropic Quantum Hall Gas: Metrology and a Novel Quantum Hall Regime
K. Ishikawa; T. Aoyama; Y. Ishizuka; N. Maeda
2003-09-06
The von Neumann lattice representation is a convenient representation for studying several intriguing physics of quantum Hall systems. In this formalism, electrons are mapped to lattice fermions. A topological invariant expression of the Hall conductance is derived and is used for the proof of the integer quantum Hall effect in the realistic situation. Anisotropic quantum Hall gas is investigated based on the Hartree-Fock approximation in the same formalism. Thermodynamic properties, transport properties, and unusual response under external modulations are found. Implications for the integer quantum Hall effect in the finite systems are also studied and a new quantum Hall regime with non-zero longitudinal resistance is shown to exist.
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.
Electronic transport properties of one dimensional lithium nanowire using density functional theory
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.
Electronic transport properties of one dimensional lithium nanowire using density functional theory
NASA Astrophysics Data System (ADS)
Thakur, Anil; Kumar, Arun; Chandel, Surjeet; Ahluwalia, P. K.
2015-05-01
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.
Anisotropic united atom model including the electrostatic interactions of benzene.
Bonnaud, Patrick; Nieto-Draghi, Carlos; Ungerer, Philippe
2007-04-12
An optimization including electrostatic interactions has been performed for the parameters of an anisotropic united atoms intermolecular potential for benzene for thermodynamic and transport property prediction using Gibbs ensemble, isothermal-isobaric (NPT) Monte Carlo, and molecular dynamic simulations. The optimization procedure is based on the minimization of a dimensionless error criterion incorporating various thermodynamic data (saturation pressure, vaporization enthalpy, and liquid density) at ambient conditions and at 350 and 450 K. A comprehensive comparison of the new model is given with other intermolecular potentials taken from the literature. Overall thermodynamic, structural, reorientational, and translational dynamic properties of our optimized model are in very good agreement with experimental data. The new model also provides a good representation of the liquid structure, as revealed by three-dimensional spatial density functions and carbon-carbon radial distribution function. Shear viscosity variations with temperature and pressure are very well reproduced, revealing a significant improvement with respect to nonpolar models. PMID:17388536
Microsphere-chain waveguides: Focusing and transport properties
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???20?, where D is the sphere diameter and ? 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???10? 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.
Microscopic calculations of transport properties of neutron matter
Benhar, Omar; Valli, Marco; Polls, Artur; Vidana, Isaac
2010-02-15
We discuss the results of calculations of the shear viscosity and thermal conductivity of pure neutron matter, carried out within the Landau-Abrikosov-Khalatnikov formalism. The probability of neutron-neutron collisions in the nuclear medium has been obtained from a realistic potential, using both the correlated basis function and the G-matrix approach. The results of our work indicate that medium modifications of nucleon-nucleon scattering are large, their inclusion leading to a dramatic enhancement of the transport coefficients. On the other hand, the results obtained from the two theoretical schemes appear to be in fairly good agreement.
Transport properties of droplet clusters in gravity-free fields
NASA Technical Reports Server (NTRS)
Brenner, Howard
1986-01-01
Clusters of liquid droplets are suspended in an atmosphere of saturated vapor and are subjected to an external force field. This system can be modeled as a continuum whose macroscopic properties may be determined by applying the generalized theory of Taylor dispersion.
Rice, Pamela J; Horgan, Brian P; Rittenhouse, Jennifer L
2010-06-01
The off-site transport of pesticides with runoff is both an agronomic and environmental concern, resulting from reduced control of target pests in the area of application and contamination of surrounding ecosystems. Experiments were designed to measure the quantity of pesticides in runoff from creeping bentgrass (Agrostis palustris) turf managed as golf course fairway to gain a better understanding of factors that influence chemical availability and mass transport. Less than 1 to 23% of applied chloropyrifos, flutolanil, mecoprop-p (MCPP), dimethylamine salt of 2,4-dichlorophenoxyacetic acid (2,4-D), or dicamba was measured in edge-of-plot runoff when commercially available pesticide formulations were applied at label rates 23 +/- 9 h prior to simulated precipitation (62 +/- 13 mm). Time differential between hollow tine core cultivation and runoff did not significantly influence runoff volumes or the percentage of applied chemicals transported in the runoff. With the exception of chlorpyrifos, all chemicals of interest were detected in the initial runoff samples and throughout the runoff events. Chemographs of the five pesticides followed trends in agreement with mobility classifications associated with their soil organic carbon partition coefficient (K(OC).) Data collected from the present study provides information on the transport of chemicals with runoff from turf, which can be used in model simulations to predict nonpoint source pollution potentials and estimate ecological risks. PMID:20821562
Effect of Temperature on Thermal Transport and Mechanical Properties of Trans-polyisoprene
NASA Astrophysics Data System (ADS)
Baboo, Mahesh; Dixit, Manasvi; Sharma, Kananbala; Saxena, N. S.
2010-06-01
Thick and thin films of trans-polyisoprene (TPI) have been prepared using solution casting method by dissolving TPI in toluene. Thick films of TPI have been used to determine thermal transport properties at different temperatures through Thermal Constant Analyzer (TCA). The results show that thermal conductivity, thermal diffusivity and volumetric heat capacity increase with respect to temperature. Thin films of TPI on the other hand have been utilized for the measurement of mechanical properties such as Young's modulus, tensile strength and toughness. The effect of temperature on the mechanical properties of thin films of TPI has been investigated using Dynamic Mechanical analyzer (DMA) and it was found that the mechanical properties decrease with increasing temperature. Above said behavior of the thermal transport and mechanical properties as a function of temperatures is attributed to the increase in free volume of molecules in chains with temperature.
Studies of Transport Properties of Fractures: Final Report
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.
Tuning the electronic transport properties of grapheme through functionalisation with fluorine
2011-01-01
We demonstrate the possibility to tune the electronic transport properties of graphene mono-layers and multi-layers by functionalisation with fluorine. For mono-layer samples, with increasing the fluorine content, we observe a transition from electronic transport through Mott variable range hopping (VRH) in two dimensions to Efros-Shklovskii VRH. Multi-layer fluorinated graphene with high concentration of fluorine show two-dimensional Mott VRH transport, whereas CF0.28 multi-layer flakes exhibit thermally activated transport through near neighbour hopping. Our experimental findings demonstrate that the ability to control the degree of functionalisation of graphene is instrumental to engineer different electronic properties in graphene materials. PMID:21910905
Directional wetting in anisotropic inverse opals.
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
Anisotropic pressure and hyperons in neutron stars
A. Sulaksono
2014-12-23
We study the effects of anisotropic pressure on properties of the neutron stars with hyperons inside its core within the framework of extended relativistic mean field. It is found that the main effects of anisotropic pressure on neutron star matter is to increase the stiffness of the equation of state, which compensates for the softening of the EOS due to the hyperons. The maximum mass and redshift predictions of anisotropic neutron star with hyperonic core are quite compatible with the result of recent observational constraints if we use the parameter of anisotropic pressure model $h \\le 0.8$[1] and $\\Lambda \\le -1.15$ [2]. The radius of the corresponding neutron star at $M$=1.4 $M_\\odot$ is more than 13 km, while the effect of anisotropic pressure on the minimum mass of neutron star is insignificant. Furthermore, due to the anisotropic pressure in the neutron star, the maximum mass limit of higher than 2.1 $M_\\odot$ cannot rule out the presence of hyperons in the neutron star core.
Novel electronic and transport properties of graphene superlattices
NASA Astrophysics Data System (ADS)
Park, Cheol-Hwan
2009-03-01
Charge carriers in graphene show linear and isotropic energy dispersion relation and chiral behavior, like massless neutrinos in particle physics. Because of these novel properties, many interesting and unconventional phenomena occur in graphene. On the other hand, since the 1970's, metallic and semiconducting superlattice structures -- man-made crystals -- have been extensively studied regarding to their fundamental electronic and optical properties as well as many applications. In this talk, I will present calculations on the properties of charge carriers in graphene under an external periodic potential (graphene superlattices) which are found to be greatly different from those of conventional two-dimensional electron gases in similar conditions [1-3]. I will discuss the anisotropies in the group velocity around the Dirac point and in the gap opening at the supercell Brillouin zone boundary [1]. Next, I will focus on the special cases where the group velocity along one direction becomes zero [1,2], emphasizing the phenomena of pseudospin collapse and possible electron beam supercollimation effects in these systems [2]. Finally, I will discuss the properties of a new generation of massless Dirac fermions at the supercell Brillouin zone boundaries and their experimental implications [3]. [4pt] [1] C. -H. Park, L. Yang, Y. -W. Son, M. L. Cohen, and S. G. Louie, Nature Phys. 4, 870 (2008). [0pt] [2] C. -H. Park, Y. -W. Son, L. Yang, M. L. Cohen, and S. G. Louie, Nano Lett. 8, 2920 (2008). [0pt] [3] C. -H. Park, L. Yang, Y. -W. Son, M. L. Cohen, and S. G. Louie, Phys. Rev. Lett. 101, 126804 (2008).
Electrical transport properties of CaB6
NASA Astrophysics Data System (ADS)
Stankiewicz, Jolanta; Sesé, Javier; Balakrishnan, Geetha; Fisk, Zachary
2014-10-01
We report results from a systematic electron-transport study in a broad temperature range on 12 CaB6 single crystals. None of the crystals were intentionally doped. The different carrier densities observed presumably arise from slight variations in the Ca:B stoichiometry. In these crystals, the variation of the electrical resistivity and of the Hall effect with temperature can be consistently accounted for by the model we propose, in which B-antisite defects (B atom replacing Ca atom) are "amphoteric." The magnetotransport measurements reveal that most of the samples we have studied are close to a metal-insulator transition at low temperatures. The magnetoresistance changes smoothly from negative—for weakly metallic samples—to positive values—for samples in a localized regime.
Collective transport properties of driven Skyrmions with random disorder.
Reichhardt, C; Ray, D; Reichhardt, C J Olson
2015-05-29
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. PMID:26066455
Charge transport properties of CdMnTe radiation detectors
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.
Direct measurements of transport properties are essential for site characterization
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.
Quantum Hall ferromagnets and transport properties of buckled Dirac materials
NASA Astrophysics Data System (ADS)
Luo, Wenchen; Chakraborty, Tapash
2015-10-01
We study the ground states and low-energy excitations of a generic Dirac material with spin-orbit coupling and a buckling structure in the presence of a magnetic field. The ground states can be classified into three types under different conditions: SU(2), easy-plane, and Ising quantum Hall ferromagnets. For the SU(2) and the easy-plane quantum Hall ferromagnets there are goldstone modes in the collective excitations, while all the modes are gapped in an Ising-type ground state. We compare the Ising quantum Hall ferromagnet with that of bilayer graphene and present the domain-wall solution at finite temperatures. We then specify the phase transitions and transport gaps in silicene in Landau levels 0 and 1. The phase diagram depends strongly on the magnetic field and the dielectric constant. We note that there exist triple points in the phase diagrams in Landau level N =1 that could be observed in experiments.
Scaling Properties of Charge Transport in Polycrystalline Graphene
2013-01-01
Polycrystalline graphene is a patchwork of coalescing graphene grains of varying lattice orientations and size, resulting from the chemical vapor deposition (CVD) growth at random nucleation sites on metallic substrates. The morphology of grain boundaries has become an important topic given its fundamental role in limiting the mobility of charge carriers in polycrystalline graphene, as compared to mechanically exfoliated samples. Here we report new insights to the current understanding of charge transport in polycrystalline geometries. We created realistic models of large CVD-grown graphene samples and then computed the corresponding charge carrier mobilities as a function of the average grain size and the coalescence quality between the grains. Our results reveal a remarkably simple scaling law for the mean free path and conductivity, correlated to atomic-scale charge density fluctuations along grain boundaries. PMID:23448361
Electrogenic Transport Properties of Growing Arabidopsis Root Hairs 1
Lew, Roger R.
1991-01-01
Ion transport, measured using double-barreled micropipettes to obtain current-voltage relations, was examined in Arabidopsis thaliana root hairs that continued tip growth and cytoplasmic streaming after impalement with the micropipette. To do this required in situ measurements with no handling of the seedlings to avoid wounding responses, and conditions allowing good resolution microscopy in tandem with the electrophysiological measurements. Two ion transport processes were demonstrated. One was a tetraethylammonium-sensitive potassium ion current, inward at hyperpolarized potentials and outward at depolarized potentials. The addition of tetraethylammonium (a potassium channel blocker) caused the potential to hyperpolarize, indicating the presence of a net inward potassium current through the ion channels at the resting potential. The potassium influx was sufficient to “drive” cellular expansion based upon growth rates. Indeed, tetraethylammonium caused transient inhibition of tip growth. The other electrogenic process was the plasma membrane proton pump, measured by indirect inhibition with cyanide or direct inhibition by vanadate. The proton pump was the dominant contribution to the resting potential, with a very high current density of about 250 microamperes per square centimeter (seen only in young growing root hairs). The membrane potential generated by the proton pump presumably drives the potassium influx required for cellular expansion. The pump appears to be a constant current source over the voltage range ?200 to 0 millivolts. With this system, it is now possible to study the physiology of a higher plant cell in dynamic living state using a broad range of cell biological and electrophysiological techniques. ImagesFigure 1Figure 2 PMID:16668580
Squeezing a gel to establish network structure-transport property relationships
NASA Astrophysics Data System (ADS)
Chan, Edwin; Nadermann, Nichole; McLeod, Kelly; Tew, Greg
2015-03-01
Gels are used in many applications, ranging from drug delivery to water purification, where regulating transport of a particular permeant is critical. The structure of the gel determines its transport properties but developing the gel structure-transport property relationships often require multiple measurement techniques. In this work, we demonstrate poroelastic relaxation indentation (PRI) as a single measurement tool to establish the relationships between the polymer network structure and the transport properties of well-defined hydrogel networks synthesized via a thiol-norbornene click reaction of poly(ethylene glycol) (PEG) chains. We use PRI to quantify the mechanical and transport properties of a series of ``click'' hydrogels with different crosslink densities. By applying various thermodynamic network swelling models to the describe the mechanical response of these gels as measured from PRI, we are able to extract thermodynamic parameters of these hydrogels including the Flory chi parameter and the mesh size. We validate our approach by comparing the thermodynamic parameters obtained from PRI with results from neutrons scattering studies of the same series of hydrogels.
Magneto-transport properties of a random distribution of few-layer graphene patches
NASA Astrophysics Data System (ADS)
Iacovella, Fabrice; Trinsoutrot, Pierre; Mitioglu, Anatolie; Conédéra, Véronique; Pierre, Mathieu; Raquet, Bertrand; Goiran, Michel; Vergnes, Hugues; Caussat, Brigitte; Plochocka, Paulina; Escoffier, Walter
2014-11-01
In this study, we address the electronic properties of conducting films constituted of an array of randomly distributed few layer graphene patches and investigate on their most salient galvanometric features in the moderate and extreme disordered limit. We demonstrate that, in annealed devices, the ambipolar behaviour and the onset of Landau level quantization in high magnetic field constitute robust hallmarks of few-layer graphene films. In the strong disorder limit, however, the magneto-transport properties are best described by a variable-range hopping behaviour. A large negative magneto-conductance is observed at the charge neutrality point, in consistency with localized transport regime.
NASA Astrophysics Data System (ADS)
Yu, Minghao; Kihara, Hisashi; Abe, Ken-ichi; Takahashi, Yusuke
2015-06-01
A relatively simple method for calculating accurately the third-order electron transport properties of nitrogen and air thermal plasmas is presented. The electron transport properties, such as the electrical conductivity and the electron thermal conductivity, were computed with the best and latest available collision cross-section data in the temperature and pressure ranges of T = 300 - 15000 K and p = 0.01 - 1.0 atm, respectively. The results obtained under the atmospheric pressure condition showed good agreements with the experimental and the high-accuracy theoretical results. The presently-introduced method has good application potential in numerical simulations of nitrogen and air inductively-coupled plasmas.
Magneto-transport properties of a random distribution of few-layer graphene patches
Iacovella, Fabrice; Mitioglu, Anatolie; Pierre, Mathieu; Raquet, Bertrand; Goiran, Michel; Plochocka, Paulina; Escoffier, Walter; Trinsoutrot, Pierre; Vergnes, Hugues; Caussat, Brigitte
2014-11-21
In this study, we address the electronic properties of conducting films constituted of an array of randomly distributed few layer graphene patches and investigate on their most salient galvanometric features in the moderate and extreme disordered limit. We demonstrate that, in annealed devices, the ambipolar behaviour and the onset of Landau level quantization in high magnetic field constitute robust hallmarks of few-layer graphene films. In the strong disorder limit, however, the magneto-transport properties are best described by a variable-range hopping behaviour. A large negative magneto-conductance is observed at the charge neutrality point, in consistency with localized transport regime.
Pore-scale heterogeneity, energy dissipation and the transport properties of rocks
Bernabe, Y.; Revil, A.
1995-06-15
The authors construct model systems to study pore scale conductivity, by making the models from an array of spheres, tubes, and cracks with different dimensions. They vary the conductivity of this system by changing the sizes and distributions of the different pore elements. To determine the transport properties of this model system, they equated the sum of the energy lost at each pore junction, to the total energy lost in the array, for either fluid or electrical conduction through the array. The authors argue that this model conduction system should be applicable to study conductivity through rock, and allow one to learn more about transport properties of rock.
WETAIR: A computer code for calculating thermodynamic and transport properties of air-water mixtures
NASA Technical Reports Server (NTRS)
Fessler, T. E.
1979-01-01
A computer program subroutine, WETAIR, was developed to calculate the thermodynamic and transport properties of air water mixtures. It determines the thermodynamic state from assigned values of temperature and density, pressure and density, temperature and pressure, pressure and entropy, or pressure and enthalpy. The WETAIR calculates the properties of dry air and water (steam) by interpolating to obtain values from property tables. Then it uses simple mixing laws to calculate the properties of air water mixtures. Properties of mixtures with water contents below 40 percent (by mass) can be calculated at temperatures from 273.2 to 1497 K and pressures to 450 MN/sq m. Dry air properties can be calculated at temperatures as low as 150 K. Water properties can be calculated at temperatures to 1747 K and pressures to 100 MN/sq m. The WETAIR is available in both SFTRAN and FORTRAN.
Reconstruction of cracks in an inhomogeneous anisotropic medium using point sources
Uhlmann, Gunther
anisotropic elastic system. Our method for obtaining the outgoing Green's function and its properties for the anisotropic elasticity sys- tem considered in the paper. It should be noted that the unique continuation anisotropic elastic medium using point sources. The observable data is given by the near-#12;eld measurements
Two-temperature thermodynamic and transport properties of SF6-Cu plasmas
NASA Astrophysics Data System (ADS)
Wu, Yi; Chen, Zhexin; yang, Fei; Cressault, Yann; Murphy, Anthony B.; Guo, Anxiang; Liu, Zirui; Rong, Mingzhe; Sun, Hao
2015-10-01
SF6 and Cu are widely adopted in electrical equipment as a dielectric medium and for conductive components, respectively. SF6-Cu plasmas are frequently formed, particularly in high-voltage circuit breaker arcs and fault current arcs, due to erosion of the Cu components. In this paper, calculated values of the thermodynamic and transport properties of plasmas in SF6-Cu mixtures are presented for both thermal equilibrium and non-equilibrium conditions. The composition is determined by the two-temperature Saha equation and Guldberg-Waage equation in the form derived by van de Sanden. The composition and the thermodynamic properties are evaluated through a classical statistical mechanics approach. For the transport coefficients, the simplified Chapman-Enskog method developed by Devoto, which decouples the electrons and heavy species, has been applied using the most recent collision integrals. The thermodynamic and transport properties are calculated for different electron temperatures (300-40?000 K), ratios of electron to heavy-species temperature (1-10), pressures (0.1-10 atm) and copper molar proportions (0-50%). It is found that deviations from thermal equilibrium strongly affect the thermodynamic and transport properties of the SF6-Cu plasmas. Further, the presence of copper has different effects on some of the properties for plasmas in and out of thermal equilibrium. The main reason for these changes is that dissociation reactions are delayed for non-thermal equilibrium plasmas, which in turn influences the ionization reactions that occur.
Oligomers Modulate Interfibril Branching and Mass Transport Properties of Collagen Matrices
Whittington, Catherine F.; Brandner, Eric; Teo, Ka Yaw; Han, Bumsoo; Nauman, Eric; Voytik-Harbin, Sherry L.
2013-01-01
Mass transport within collagen-based matrices is critical to tissue development, repair, and pathogenesis as well as the design of next generation tissue engineering strategies. This work shows how collagen precursors, specified by intermolecular cross-link composition, provide independent control of collagen matrix mechanical and transport properties. Collagen matrices were prepared from tissue-extracted monomers or oligomers. Viscoelastic behavior was measured in oscillatory shear and unconfined compression. Matrix permeability and diffusivity were measured using gravity-driven permeametry and integrated optical imaging, respectively. Both collagen types showed an increase in stiffness and permeability hindrance with increasing collagen concentration (fibril density); however, different physical property-concentration relationships were noted. Diffusivity wasn’t affected by concentration for either collagen type over the range tested. In general, oligomer matrices exhibited a substantial increase in stiffness and only a modest decrease in transport properties when compared to monomer matrices prepared at the same concentration. The observed differences in viscoelastic and transport properties were largely attributed to increased levels of interfibril branching within oligomer matrices. The ability to relate physical properties to relevant microstructure parameters, including fibril density and interfibril branching, is expected to advance the understanding of cell-matrix signaling as well as facilitate model-based prediction and design of matrix-based therapeutic strategies. PMID:23842082
Transport and magnetic properties of rtx and related
Goruganti, Venkat
2009-05-15
67 s83 s99 s104 s47 s82 s32s84 s47 s103 s48 s47s103 s49 Fig. 5. The Schottky heat capacity of a two level system. Difierent curves represent difierent degeneracies of these levels. 19 tion may be viewed as an interaction between the magnetic moment... Properties of RTX and Related Compounds. (December 2008) Venkateshwarlu Goruganti, B.Sc., B.Ed., Osmania University, India; M.Sc., University of Hyderabad, India; M.S., Texas A&M University Chair of Advisory Committee: Dr. Joseph H. Ross, Jr. Physical...
Transport Properties of Equilibrium Argon Plasma in a Magnetic Field
Bruno, D.; Laricchiuta, A.; Chikhaoui, A.; Kustova, E. V.; Giordano, D.
2005-05-16
Electron electrical conductivity coefficients of equilibrium Argon plasma in a magnetic field are calculated up to the 12th Chapman-Enskog approximation at pressure of 1 atm and 0.1 atm for temperatures 500K-20000K; the magnetic Hall parameter spans from 0.01 to 100. The collision integrals used in the calculations are discussed. The convergence properties of the different approximations are assessed. The degree of anisotropy introduced by the presence of the magnetic field is evaluated. Differences with the isotropic case can be very substantial. The biggest effects are visible at high ionization degrees, i.e. high temperatures, and at strong magnetic fields.
Magnetic colloid by PLA: Optical, magnetic and thermal transport properties
NASA Astrophysics Data System (ADS)
Pandey, B. K.; Shahi, A. K.; Gopal, Ram
2015-08-01
Ferrofluids of cobalt and cobalt oxide nanoparticles (NPs) have been successfully synthesized using liquid phase-pulse laser ablation (LP-PLA) in ethanol and double distilled water, respectively. The mechanism of laser ablation in liquid media and formation process for Co target in double distilled water (DDW) and ethanol are speculated based on the reactions between laser generated highly nascent cobalt species and vaporized solvent media in a confined high temperature and pressure at the plume-surrounding liquid interface region. Optical absorption, emission, vibrational and rotational properties have been investigated using UV-vis absorption, photoluminescence (PL) and Fourier transform-infra red (FT-IR) spectroscopy, respectively. In this study optical band gap of cobalt oxide ferrofluids has been engineered using different pulse energy of Nd:YAG laser in the range of (2.80-3.60 eV). Vibrating sample magnetometer (VSM) is employed to determine the magnetic properties of ferrofluids of cobalt and cobalt oxide NPs while their thermal conductivities are examined using rotating disc method. Ferrofluids have gained enormous curiosity due to many technological applications, i.e. drug delivery, coolant and heating purposes.
Cross Sections and Transport Properties of BR- Ions in AR
NASA Astrophysics Data System (ADS)
Jovanovic, Jasmina; Stojanovic, Vladimir; Raspopovic, Zoran; Petrovic, Zoran
2014-10-01
We have used a combination of a simple semi-analytic theory - Momentum Transfer Theory (MTT) and exact Monte Carlo (MC) simulations to develop Br- in Ar momentum transfer cross section based on the available data for reduced mobility at the temperature T = 300 K over the range 10 Td <= E / N <= 300 Td. At very low energies, we have extrapolated obtained cross sections towards Langevin's cross section. Also, we have extrapolated data to somewhat higher energies based on behavior of similar ions in similar gases and by the addition of the total detachment cross section that was used from the threshold around 7.7 eV. Relatively complete set was derived which can be used in modeling of plasmas by both hybrid, particle in cell (PIC) and fluid codes. A good agreement between calculated and measured ion mobilities and longitudinal diffusion coefficients is an independent proof of the validity of the cross sections that were derived for the negative ion mobility data. In addition to transport coefficients we have also calculated the net rate coefficients of elastic scattering and detachment. Author acknowledge Ministry of Education, Science and Technology, Proj. Nos. 171037 and 410011.
Electrical transport properties of CaB6
NASA Astrophysics Data System (ADS)
Stankiewicz, Jolanta; Sesé, Javier; Balakrishnan, Geetha; Fisk, Zachary
2015-03-01
We report results from a systematic electron-transport study in a broad temperature range on twelve CaB6 single crystals. None of the crystals were intentionally doped. The different carrier densities observed presumably arise from slight variations in the Ca:B stoichiometry. In these crystals, the variation of the electrical resistivity and of the Hall effect with temperature can be consistently explained by a variable charge state of intrinsic defects, most likely B-antisites (B atom replacing Ca atom). Our model is also consistent with the presence of a narrow, defect related, impurity band close to the Fermi level. Thus it may indicate the validity of defect-driven intrinsic ferromagnetism in alkaline-earth hexaborides. The magnetotransport measurements reveal that most of the samples we have studied are close to a metal-insulator transition at low temperatures. The magnetoresistance changes smoothly from negative--for weakly metallic samples--to positive values--for samples in a localized regime. We acknowledge support from Grant MAT2012-38213-C02-01 of MEC, Spain and EP/I007210/1 from EPSRC, UK.
Transport properties of overheated electrons trapped on a helium surface
NASA Astrophysics Data System (ADS)
Closa, Fabien; Raphäel, Elie; Chepelianskii, Alexei D.
2014-08-01
An ultra-strong photovoltaic effect has recently been reported for electrons trapped on a liquid helium surface under a microwave excitation tuned at intersubband resonance [D. Konstantinov, A.D. Chepelianskii, K. Kono, J. Phys. Soc. Jpn 81, 093601 (2012)]. In this article, we analyze theoretically the redistribution of the electron density induced by an overheating of the surface electrons under irradiation, and obtain quantitative predictions for the photocurrent dependence on the effective electron temperature and confinement voltages. We show that the photo-current can change sign as a function of the parameters of the electrostatic confinement potential on the surface, while the photocurrent measurements reported so far have been performed only at a fixed confinement potential. The experimental observation of this sign reversal could provide a reliable estimation of the electron effective temperature in this new out of equilibrium state. Finally, we have also considered the effect of the temperature on the outcome of capacitive transport measurement techniques. These investigations led us to develop, numerical and analytical methods for solving the Poisson-Boltzmann equation in the limit of very low temperatures which could be useful for other systems.
A study of transport properties in Cu and P doped ZnSb
Valset, K.; Song, X.; Finstad, T. G.
2015-01-28
ZnSb samples have been doped with copper and phosphorus and sintered at 798?K. Electronic transport properties are interpreted as being influenced by an impurity band close to the valence band. At low Cu dopant concentrations, this impurity band degrades the thermoelectric properties as the Seebeck coefficient and effective mass are reduced. At carrier concentrations above 1?×?10{sup 19?}cm{sup ?3}, the Seebeck coefficient in Cu doped samples can be described by a single parabolic band.
Electronic transport properties of Ir-decorated graphene
Wang, Yilin; Xiao, Shudong; Cai, Xinghan; Bao, Wenzhong; Reutt-Robey, Janice; Fuhrer, Michael S.
2015-01-01
Graphene decorated with 5d transitional metal atoms is predicted to exhibit many intriguing properties; for example iridium adatoms are proposed to induce a substantial topological gap in graphene. We extensively investigated the conductivity of single-layer graphene decorated with iridium deposited in ultra-high vacuum at low temperature (7?K) as a function of Ir concentration, carrier density, temperature, and annealing conditions. Our results are consistent with the formation of Ir clusters of ~100 atoms at low temperature, with each cluster donating a single electronic charge to graphene. Annealing graphene increases the cluster size, reducing the doping and increasing the mobility. We do not observe any sign of an energy gap induced by spin-orbit coupling, possibly due to the clustering of Ir. PMID:26508279
Electronic transport properties of Ir-decorated graphene
NASA Astrophysics Data System (ADS)
Wang, Yilin; Xiao, Shudong; Cai, Xinghan; Bao, Wenzhong; Reutt-Robey, Janice; Fuhrer, Michael S.
2015-10-01
Graphene decorated with 5d transitional metal atoms is predicted to exhibit many intriguing properties; for example iridium adatoms are proposed to induce a substantial topological gap in graphene. We extensively investigated the conductivity of single-layer graphene decorated with iridium deposited in ultra-high vacuum at low temperature (7?K) as a function of Ir concentration, carrier density, temperature, and annealing conditions. Our results are consistent with the formation of Ir clusters of ~100 atoms at low temperature, with each cluster donating a single electronic charge to graphene. Annealing graphene increases the cluster size, reducing the doping and increasing the mobility. We do not observe any sign of an energy gap induced by spin-orbit coupling, possibly due to the clustering of Ir.
Electronic transport properties of Ir-decorated graphene.
Wang, Yilin; Xiao, Shudong; Cai, Xinghan; Bao, Wenzhong; Reutt-Robey, Janice; Fuhrer, Michael S
2015-01-01
Graphene decorated with 5d transitional metal atoms is predicted to exhibit many intriguing properties; for example iridium adatoms are proposed to induce a substantial topological gap in graphene. We extensively investigated the conductivity of single-layer graphene decorated with iridium deposited in ultra-high vacuum at low temperature (7?K) as a function of Ir concentration, carrier density, temperature, and annealing conditions. Our results are consistent with the formation of Ir clusters of ~100 atoms at low temperature, with each cluster donating a single electronic charge to graphene. Annealing graphene increases the cluster size, reducing the doping and increasing the mobility. We do not observe any sign of an energy gap induced by spin-orbit coupling, possibly due to the clustering of Ir. PMID:26508279
Transport Properties of Functionalized Single Wall Nanotubes Buckypaper
NASA Astrophysics Data System (ADS)
Skákalová, V.; Dettlaff-Weglikowska, U.; Roth, S.
2004-09-01
We have shown recently that ionic doping (with SOCl2, iodine, HNO3) of single wall carbon nanotubes (SWNT) buckypaper causes an increase of electrical conductivity (factor of 5 for SOCl2-doping). Optical absorption spectra of ionic-doped SWNT show a vanishing of the first peak of van Hove singularities for semiconducting tubes, and at the same time a significant increase of the absorbance in the infrared region. In contrast, molecules forming covalent bonds with SWNT affect the properties of buckypaper so that electrical conductivity decreases (factor of 9 for aniline-functionalization) and the absorbance in the infrared region of the optical absorption spectra is reduced, unlike what is observed for ionic doping.
NASA Technical Reports Server (NTRS)
Thompson, Richard A.; Lee, Kam-Pui; Gupta, Roop N.
1990-01-01
The computer codes developed provide data to 30000 K for the thermodynamic and transport properties of individual species and reaction rates for the prominent reactions occurring in an 11-species nonequilibrium air model. These properties and the reaction-rate data are computed through the use of curve-fit relations which are functions of temperature (and number density for the equilibrium constant). The curve fits were made using the most accurate data believed available. A detailed review and discussion of the sources and accuracy of the curve-fitted data used herein are given in NASA RP 1232.
Transport properties of Dirac fermions in two dimensions
NASA Astrophysics Data System (ADS)
DaSilva, Ashley M.
The Dirac equation in particle physics is used to describe spin 1/2 fermions (such as electrons) moving at relativistic speeds. In condensed matter physics, this is usually not relevant, since particles in matter move slowly compared to the speed of light. However, recent progress has revealed two-dimensional realizations of Dirac fermions in condensed matter systems with zero mass and a redefined "speed of light." One of these systems, graphene, has been studied theoretically for decades as a building block of graphite. The other, the topological insulator, is quite new; this state of matter was predicted less than 10 years ago. Graphene was first isolated in 2004, and since then there has been an explosion of graphene research in the physics community. Much of the recent excitement has to do with the potential applications of graphene in devices. In this dissertation, I will discuss two problems related to graphene devices, and in particular how to use the strong interaction of graphene with its surroundings as an asset. I will show that a Boltzmann transport theory with all scattering mechanisms describes the current vs voltage of a graphene sheet extremely well using no adjustable parameters. One crucial element of this model is the transfer of energy from electrons directly to the substrate via scattering with optical phonons at the interface. The interaction is due to an electric field that is set up by these optical phonons, which is so strongly interacting in part due to the two dimensionality of the graphene. I will also discuss the adsorption of He atoms on a graphene sheet. This causes a change in the graphene conductivity which is large enough to be measurable. Work in this direction could provide a route to graphene sensors. The topological insulator is a recently predicted state of matter which is nominally an insulator but has metallic surface states which are topologically protected. This topological protection arises from the symmetry of the system, which requires a two-fold degeneracy at any time reversal symmetric momentum, and a band inversion, which provides a swapping of the conduction and valance band at a surface. These two conditions imply that an odd number of states will cross the gap even in the presence of disorder (as long as that disorder is time reversal symmetric). This manifests as a Dirac cone at the surface of insulators such as Bi2Se3 and Bi2Te 3. To be a true topological insulator, one must have a bulk insulator; experimentally however, most samples are bulk conductors. While rapid improvement is being made through techniques such as doping, one of the goals of the research presented in this thesis is to work towards a transport signal which is unique to the surface state even in the presence of a conducting bulk. In this direction, quantum corrections to the magnetoresistance have been shown to fail, as both bulk and surface have similar experimental signals. However work in this dissertation shows that we can still gain some insight by modeling the experimental data with the theory of quantum corrections. I will show evidence that electron-electron interactions are necessary to understand the low temperature conductivity of Bi2Se3 thin films. One unambiguous transport signal is the quantum Hall response; the energy of Dirac fermions in a strong magnetic field is quite different than their parabolic counterparts. Given this, a question that arises is the nature of the fractional quantum Hall effect in topological insulator surface states. I will predict the conditions under which the fractional quantum Hall effect is stable. Finally, one of the reasons topological insulators have gained so much enthusiasm is the potential application to topological quantum computation. This may be made possible if the theoretical predictions of particles called Majorana fermions could be realized experimentally. I discuss evidence that two necessary (although not sufficient) conditions are met: topological insulators can be made superconducting and there is evidence for the formation of vo
Effect of Alignment on Transport Properties of Carbon Nanotube/Metallic Junctions
NASA Technical Reports Server (NTRS)
Wincheski, Buzz; Namkung, Min; Smits, Jan; Williams, Phillip; Harvey, Robert
2003-01-01
Ballistic and spin coherent transport in single walled carbon nanotubes (SWCNT) are predicted to enable high sensitivity single-nanotube devices for strain and magnetic field sensing. Based upon these phenomena, electron beam lithography procedures have been developed to study the transport properties of purified HiPCO single walled carbon nanotubes for development into sensory materials for nondestructive evaluation. Purified nanotubes are dispersed in solvent suspension and then deposited on the device substrate before metallic contacts are defined and deposited through electron beam lithography. This procedure produces randomly dispersed ropes, typically 2 - 20 nm in diameter, of single walled carbon nanotubes. Transport and scanning probe microscopy studies have shown a good correlation between the junction resistance and tube density, alignment, and contact quality. In order to improve transport properties of the junctions a technique has been developed to align and concentrate nanotubes at specific locations on the substrate surface. Lithographic techniques are used to define local areas where high frequency electric fields are to be concentrated. Application of the fields while the substrate is exposed to nanotube-containing solution results in nanotube arrays aligned with the electric field lines. A second electron beam lithography layer is then used to deposit metallic contacts across the aligned tubes. Experimental measurements are presented showing the increased tube alignment and improvement in the transport properties of the junctions.
Highly anisotropic physics in phosphorene
NASA Astrophysics Data System (ADS)
Ezawa, Motohiko
2015-04-01
Phosphorene, monolayer black phosphorus, is a highly anistropicmaterial, where the band structure is Dirac like in one direction and Schrödinger like in the other direction. We present several analytic formulas to demonstrate the electronic properties. The conductance is highly anisotropic reflecting the anisotropy of the band structure. We also deteminethe cyclotron motion in phosphoreneand Landau level quantization by using the Bohr-Sommerfeldquantization. We show that the Landau-level energy behaves as B2/3 as a function of external magnetic field, which is highly contrasted to the case of graphene where the Landau-level energy behaves as ?B.
NASA Astrophysics Data System (ADS)
Ziemys, Arturas; Milosevic, Miljan; Kojic, Milos; Multiscale transport Team
2014-03-01
Transport theories based on the continuum hypothesis may not be appropriate, especially in case of diffusion, due to surface effects at nanoscale. Our computational and experimental findings, supported by studies elsewhere, revealed the necessity to account for interface and confinement effects. Thermodynamic aspects were established that might be responsible for reduced diffusivity at interface; more specifically - due to entropy-enthalpy compensation and cage-breaking processes. The thickness of liquid with altered diffusivity at solid-liquid interface depends on material and diffusing molecule nature and properties. We have developed a concept and computational model to bridge those molecular effects within nanoconfinement with transport at macro scale for systems where interface dominates over other properties (e.g. nanochannels, nanopores, polymers). The concept was validated against molecular transport through nanochannels and polymers. Novel parameters are introduced that determine diffusion regime and kinetics within the nanoscale confined fluids. New diffusion transport characteristics are established when nanochannel confining dimension approaches sizes of diffusing molecules, determining bounds of the non-Fickian transport regimes. The developed multiscale method could be used to study material transport and optimize nanoporous materials for biomedical and industrial applications.
Tang, M.; Jin, C.; Bai, H. L.
2014-11-07
Motivated by the theoretical calculations that Fe{sub 3?x}Mn{sub x}Si can simultaneously exhibit a high spin polarization with a high Curie temperature to be applied in spintronic devices, and in order to further study the effect of Mn contents on the physical properties of Fe{sub 3?x}Mn{sub x}Si, we have investigated the effect of Mn substitution on the transport properties of epitaxial Fe{sub 3?x}Mn{sub x}Si (0?x?1) films systematically. The Fe{sub 3?x}Mn{sub x}Si films were epitaxially grown on MgO(001) plane with 45° rotation. The magnetization for various x shows enhanced irreversibility, implying the antiferromagnetic ordering induced by the substitution of Mn. A metal-semiconductor crossover was observed due to the enhanced disorders of interactions and the local lowering of symmetry induced by the substitution of Mn. The single-domain state in the Fe{sub 3?x}Mn{sub x}Si films leads to twofold symmetric curves of the anisotropic magnetoresistance and planar Hall resistivity.
Influence of substrate type on transport properties of superconducting FeSe0.5Te0.5 thin films
NASA Astrophysics Data System (ADS)
Yuan, Feifei; Iida, Kazumasa; Langer, Marco; Hänisch, Jens; Ichinose, Ataru; Tsukada, Ichiro; Sala, Alberto; Putti, Marina; Hühne, Ruben; Schultz, Ludwig; Shi, Zhixiang
2015-06-01
FeSe0.5Te0.5 thin films were grown by pulsed laser deposition on CaF2, LaAlO3 and MgO substrates and structurally and electro-magnetically characterized in order to study the influence of the substrate on their transport properties. The in-plane lattice mismatch between FeSe0.5Te0.5 bulk and the substrate shows no influence on the lattice parameters of the films, whereas the type of substrate affects the crystalline quality of the films and, therefore, the superconducting properties. The film on MgO showed an extra peak in the angular dependence of critical current density Jc(?) at ? = 180° (H||c), which arises from c-axis defects as confirmed by transmission electron microscopy. In contrast, no Jc(?) peaks for H||c were observed in films on CaF2 and LaAlO3. Jc(?) can be scaled successfully for both films without c-axis correlated defects by the anisotropic Ginzburg-Landau approach with appropriate anisotropy ratio ?J. The scaling parameter ?J is decreasing with decreasing temperature, which is different from what we observed in FeSe0.5Te0.5 films on Fe-buffered MgO substrates.
Weidner, John W.
Transport Properties and Performance of Polymer Electrolyte Membranes for the Hybrid Sulfur and SO2 crossover in the hybrid sulfur cycle electrolyzer were quantified for a poly phenylene -based SO2 to the hydrogen stream, and result in a loss of sulfur from the system. Recent research has
Pandey, Ravi
Electronic structure and quantum transport properties of trilayers formed from graphene and boron. Positioning gra- phene in proximity to hexagonal boron nitride (h-BN), which has a lattice constant similar to graphene, but distinguishable sublattices consisting of boron and nitrogen atoms, can also introduce
Helical poly(arginine) mimics with superior cell-penetrating and molecular transporting properties
Cheng, Jianjun
Helical poly(arginine) mimics with superior cell- penetrating and molecular transporting properties Haoyu Tang, Lichen Yin, Kyung Hoon Kim and Jianjun Cheng* Poly(arginine) mimics bearing long hydrophobic the helicities of poly(arginine) mimics. These helical poly(arginine) mimics show superior cell membrane
ThermoElectric Transport Properties of a Chain of Quantum Dots
ThermoElectric Transport Properties of a Chain of Quantum Dots with Self-Consistent Reservoirs reservoir. Additionally, the left and right ends of the chain are coupled to two particle reservoirs. All these reservoirs are independent and can be described by any of the standard physical distributions: Maxwell
Effective elastic and transport properties of regular honeycombs for all densities
Torquato, Salvatore
Effective elastic and transport properties of regular honeycombs for all densities S. Hyun and S that lie between these extreme limits. The purpose of this paper is to quantify the effective elastic Jersey 08544 (Received 3 February 2000; accepted 21 June 2000) The effective planar elastic moduli
Transport and Phase Equilibria Properties for Steam Flooding of Heavy Oils
Gabitto, Jorge; Barrufet, Maria
2001-12-18
The objectives of this research included experimental determination and rigorous modeling and computation of phase equilibria, volumetric, and transport properties of hydrocarbon/CO2/water mixtures at pressures and temperatures typical of steam injection processes for thermal recovery of heavy oils.
Transport properties of pristine few-layer black phosphorus by van der Waals
Yao, Shao Q
Transport properties of pristine few-layer black phosphorus by van der Waals passivation- layer sheet of perfectly arranged and tightly bound carbon or phosphorus atoms. And while graphene of phosphorene research was the natural tendency of the phosphorus atoms to react with the surrounding air, which
Bobnar, Vid
Intrinsic dielectric properties and charge transport in oligomers of organic semiconductor copper in the experimentally detected dielectric response of organic semi- conductor copper phthalocyanine. While a giant these compounds are among the most interesting organic semiconductors, mainly due to their high chemical stability
Standards Governing All Advertising in or upon Transportation Services Bus Vehicles or Property
on a person or animal. e. Unlawful goods or services. The advertisement, or any material contained in it. Advertising cannot encourage persons to refrain from using safety precautions normally used in transitStandards Governing All Advertising in or upon Transportation Services Bus Vehicles or Property 1
Transport properties of zigzag graphene nanoribbons adsorbed with single iron atom
NASA Astrophysics Data System (ADS)
Yang, Yu-E.; Yang, Xiao; Xiao-Hong, Yan; Chang-Jie, Dai
2015-11-01
We have performed density-functional calculations of the transport properties of the zigzag graphene nanoribbon (ZGNR) adsorbed with a single iron atom. Two adsorption configurations are considered, i.e., iron adsorbed on the edge and on the interior of the nanoribbon. The results show that the transport features of the two configurations are similar. However, the transport properties are modified due to the scattering effects induced by coupling of the ZGNR band states to the localized 3d-orbital state of the iron atom. More importantly, one can find that several dips appear in the transmission curve, which is closely related to the above mentioned coupling. We expect that our results will have potential applications in graphene-based spintronic devices. Project supported by the National Natural Science Foundation of China (Grant Nos. 11374162 and 51032002) and the Key Project of the National High Technology Research and Development Program of China (Grant No. 2011AA050526).
The transport properties of the molecular-scale B2C and BC3 electronic devices
NASA Astrophysics Data System (ADS)
Li, Guiqin; Li, Runqin
2012-09-01
The transport properties of the molecular-scale B2C and BC3 electronic devices are investigated with an ab initio method combined with a nonequilibrium Green function technique. The effects of different BC graphenes and ribbon lengths on the transport properties of the devices are significant. The results show that the devices with different BC graphenes and sizes have unusual transmission coefficients, which leads to special current transport mechanisms for the devices. Notably, the current strength of the device with the shortest ribbon length is the largest in three B2C devices, but the current strength of the device with the shortest ribbon length is the smallest for BC3 device.
Bowser, S S; Israel, H A; McGee-Russell, S M; Rieder, C L
1984-12-01
The reticulopodial networks of the foraminiferan protozoans Allogromia sp., strain NF, and A. laticollaris display rapid (up to 11 microns/second) and bidirectional saltatory transport of membrane surface markers (polystyrene microspheres). Electron microscopy shows that microspheres adhere directly to the reticulopodial surface glycocalyx. A videomicroscopic analysis of this phenomenon reveals that microsphere movement is typically independent of pseudopod extension/withdrawal and that particles of different sizes and surface properties display similar motile characteristics. The motile properties of surface-associated microspheres appear identical to those of saltating intracellular organelles. Indeed, in some instances the surface-attached microspheres appear transiently linked in motion to these underlying organelles. Our observations suggest that, in reticulopodia, surface transport of microspheres and intracellular transport of organelles are driven by a common mechanism. PMID:6518524
Transport properties of silver-calcium doped lanthanum manganite
NASA Astrophysics Data System (ADS)
Cherif, B.; Rahmouni, H.; Smari, M.; Dhahri, E.; Moutia, N.; Khirouni, K.
2015-01-01
Electrical properties of silver-calcium doped lanthanum manganite (La0.5Ca0.5-xAgxMnO3 with 0.0
Structural, magnetic, and transport properties of Permalloy for spintronic experiments
Nahrwold, Gesche; Scholtyssek, Jan M.; Motl-Ziegler, Sandra; Albrecht, Ole; Merkt, Ulrich; Meier, Guido
2010-07-15
Permalloy (Ni{sub 80}Fe{sub 20}) is broadly used to prepare magnetic nanostructures for high-frequency experiments where the magnetization is either excited by electrical currents or magnetic fields. Detailed knowledge of the material properties is mandatory for thorough understanding its magnetization dynamics. In this work, thin Permalloy films are grown by dc-magnetron sputtering on heated substrates and by thermal evaporation with subsequent annealing. The specific resistance is determined by van der Pauw methods. Point-contact Andreev reflection is employed to determine the spin polarization of the films. The topography is imaged by atomic-force microscopy, and the magnetic microstructure by magnetic-force microscopy. Transmission-electron microscopy and transmission-electron diffraction are performed to determine atomic composition, crystal structure, and morphology. From ferromagnetic resonance absorption spectra the saturation magnetization, the anisotropy, and the Gilbert damping parameter are determined. Coercive fields and anisotropy are measured by magneto-optical Kerr magnetometry. The sum of the findings enables optimization of Permalloy for spintronic experiments.
High-field thermal transports properties of REBCO coated conductors
Bonura, M
2015-01-01
The use of REBCO coated conductors is envisaged for many applications, extending from power cables to high-?eld magnets. Whatever the case, thermal properties of REBCO tapes play a key role for the stability of superconducting devices. In this work, we present the ?rst study on the longitudinal thermal conductivity (k) of REBCO coated conductors in magnetic ?elds up to 19 T applied both parallelly and perpendicularly to the thermal-current direction. Copper-stabilized tapes from six industrial manufacturers have been investigated. We show that zero-?eld k of coated conductors can be calculated with an accuracy of ‡ 15% from the residual resistivity ratio of the stabilizer and the Cu/non-Cu ratio. Measurements performed at high ?elds have allowed us to evaluate the consistency of the procedures generally used for estimating in-?eld k in the framework of the Wiedemann-Franz law from an electrical characterization of the materials. In-?eld data are intended to provide primary ingredients for the ...
High-field thermal transport properties of REBCO coated conductors
NASA Astrophysics Data System (ADS)
Bonura, Marco; Senatore, Carmine
2015-02-01
The use of REBCO coated conductors (CCs) is envisaged for many applications, extending from power cables to high-field magnets. Whatever the case, thermal properties of REBCO tapes play a key role for the stability of superconducting devices. In this work, we present the first study on the longitudinal thermal conductivity (?) of REBCO CCs in magnetic fields up to 19 T applied both parallel and perpendicularly to the thermal-current direction. Copper-stabilized tapes from six industrial manufacturers have been investigated. We show that zero-field ? of CCs can be calculated with an accuracy of +/- 15% from the residual resistivity ratio of the stabilizer and the Cu/non-Cu ratio. Measurements performed at high fields have allowed us to evaluate the consistency of the procedures generally used for estimating in-field ? in the framework of the Wiedemann-Franz law from an electrical characterization of the materials. In-field data are intended to provide primary ingredients for the thermal stability analysis of high-temperature superconductor-based magnets.
Zhou, Quanlin; Liu, Hui-Hai; Bodvarsson, Gudmundur S.; Oldenburg, Curtis M.
2002-07-09
The heterogeneity of hydrogeologic properties at different scales may have different effects on flow and transport processes in a subsurface system. A model for the unsaturated zone of Yucca Mountain, Nevada, is developed to represent complex heterogeneity at two different scales: (1) layer scale corresponding to geologic layering and (2) local scale. The layer-scale hydrogeologic properties are obtained using inverse modeling, based on the available measurements collected from the Yucca Mountain site. Calibration results show a significant lateral and vertical variability in matrix and fracture properties. Hydrogeologic property distributions in a two-dimensional, vertical cross section of the site are generated by combining the average layer-scale matrix and fracture properties with local-scale perturbations generated using a stochastic simulation method. The unsaturated water flow and conservative (nonsorbing) tracer transport through the cross section are simulated for different sets of matrix and fracture property fields. Comparison of simulation results indicates that the local-scale heterogeneity of matrix and fracture properties has a considerable effect on unsaturated flow processes, leading to fast flow paths in fractures and the matrix. These paths shorten the travel time of a conservative tracer from the source (repository) horizon in the unsaturated zone to the water table for small fractions of total released tracer mass. As a result, the local-scale heterogeneity also has a noticeable effect on global tracer transport processes, characterized by an average breakthrough curve at the water table, especially at the early arrival time of tracer mass. However, the effect is not significant at the later time after 20 percent tracer mass reaches the water table. The simulation results also verify that matrix diffusion plays an important role in overall solute transport processes in the unsaturated zone at Yucca Mountain.
Central Density Dependent Anisotropic Compact Stars
Kalam, Mehedi; Hossein, Sk Monowar; Ray, Saibal
2013-01-01
Stars can be treated as self-gravitating fluid. In this connection, we propose a model for an anisotropic star under the relativistic framework of Krori-Barua (1975) spacetime. It is shown that the solutions are regular and singularity free. The uniqueness of the model is that interior physical properties of the star solely depend on the central density of the matter distribution.
Central Density Dependent Anisotropic Compact Stars
Mehedi Kalam; Farook Rahaman; Sk. Monowar Hossein; Saibal Ray
2012-12-27
Stars can be treated as self-gravitating fluid. In this connection, we propose a model for an anisotropic star under the relativistic framework of Krori-Barua (1975) spacetime. It is shown that the solutions are regular and singularity free. The uniqueness of the model is that interior physical properties of the star solely depend on the central density of the matter distribution.
Transpacific transport and evolution of the optical properties of Asian dust
NASA Astrophysics Data System (ADS)
Liu, Zhaoyan; Fairlie, T. Duncan; Uno, Itsushi; Huang, Jingfeng; Wu, Dong; Omar, Ali; Kar, Jayanta; Vaughan, Mark; Rogers, Raymond; Winker, David; Trepte, Charles; Hu, Yongxiang; Sun, Wenbo; Lin, Bing; Cheng, Anning
2013-02-01
Five years of CALIPSO lidar layer products are used to study transpacific transport of Asian dust. We focus on possible changes to dust intrinsic optical properties during the course of transport, with specific emphasis on changes to particulate depolarization ratio (PDR). PDR distributions for Asian dust transported across the Pacific are compared to previously reported PDR distributions for African dust transported across the Atlantic. African dust shows a slight decreasing trend in PDR during westward transport across the Atlantic during its most active long-range transport season in summer. Asian dust, on the other hand, shows some spatial variability in PDR over the Pacific during its most active long-range transport season in spring. The dust PDR is generally smaller over the ocean than over the Tarim basin and nearby downwind regions. PDR also shows a decreasing trend with latitude moving northward toward the Arctic, together with an increasing trend in the dust aerosol optical depth (AOD) when passing over polluted Asian regions. Possible explanations include (i) the mixing of dust externally or internally with other types of aerosol over the heavily developed industrial regions in East Asia, and (ii) the downstream mixing of dust plumes from different source regions (i.e., Tarim and Gobi). Dust from different source regions exhibits relatively large differences in PDR, with mean values of 0.34±0.07, 0.28±0.06, and 0.30±0.08, respectively, over the Tarim basin, Gobi Desert and Northwest African source regions. Different transport mechanisms are seen for African dust and Asian dust. Asian dust transport is originated by cold fronts and driven by westerly jets. In contrast, summer African transatlantic dust transport is driven by trade winds and is generally well confined in altitude in the free troposphere throughout the tropics and subtropics.
Magnetic and transport properties of CeVO{sub 3}
Nguyen, H.C.; Goodenough, J.B.
1995-10-01
Magnetic data are presented that indicate the VO{sub 3} array of the perovskite CeVO{sub 3} exhibits the same anomalous properties as in LaVO{sub 3}, including (1) a first-order magnetostrictive distortion below a T{sub t}
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.
Influence of magnetic materials on the transport properties of superconducting composite conductors
NASA Astrophysics Data System (ADS)
Glowacki, B. A.; Majoros, M.; Campbell, A. M.; Hopkins, S. C.; Rutter, N. A.; Kozlowski, G.; Peterson, T. L.
2009-03-01
Magnetic materials can help to improve the performance of practical superconductors on the macro/microscale as magnetic diverters and also on the nanoscale as effective pinning centres. It has been established by numerical modelling that magnetic shielding of the filaments reduces ac losses in self-field conditions due to decoupling of the filaments and, at the same time, it increases the critical current of the composite. This effect is especially beneficial for coated conductors, in which the anisotropic properties of the superconductor are amplified by the conductor architecture. However, ferromagnetic coatings are often chemically incompatible with YBa2Cu3O7 and (Pb,Bi)2Sr2Ca2Cu3O9 conductors, and buffer layers have to be used. In contrast, in MgB2 conductors an iron matrix may remain in direct contact with the superconducting core. The application of superconducting-magnetic heterostructures requires consideration of the thermal and electromagnetic stability of the superconducting materials used. On the one hand, magnetic components reduce the critical current gradient across the individual filaments but, on the other hand, they often reduce the thermal conductivity between the superconducting core and the cryogen, which may cause the destruction of the conductor in the event of thermal instability. A possible nanoscale method of improving the critical current density of superconducting conductors is the introduction of sub-micron magnetic pinning centres. However, the volumetric density and chemical compatibility of magnetic inclusions has to be controlled to avoid suppression of the superconducting properties.
Structure and transport properties of Ge quantum dots in a SiO2 matrix
NASA Astrophysics Data System (ADS)
Slunjski, R.; Dub?ek, P.; Radi?, N.; Bernstorff, S.; Pivac, B.
2015-06-01
Germanium (Ge) nanoparticles or quantum dots (QDs) embedded in a transparent dielectric matrix have properties radically different from the bulk semiconductor and present a great potential for application in electronic and optoelectronic devices. Due to quantum confinement properties, the optical bandgap of QD-based materials can be tuned by varying the nanoparticle size. These properties may be exploited for the fabrication of nanoscale electronic devices or advanced solar cells. In this work we explored structural and transport properties of QD based superstructures for advanced solar cells. Magnetron cosputtering was used for deposition and upon suitable thermal treatment a superstructure of QDs was formed. Transport properties were explored by I-V measurement in the dark together with a C-V characterization. The obtained results were modeled with the known transport mechanisms for QDs containing materials. A special emphasis is given to trap controlled space charge limited current and hopping conductivity mechanism. We have shown that in our samples a significant charge is stored in the SiO2 layers with embedded Ge QDs. That charge is predominantly stored into traps at or close to the Ge(QDs)/SiO2 interface.
Roles of Multi-Walled Structures in Thermal Transport Properties of Nanotubes
NASA Astrophysics Data System (ADS)
Hata, Tomoyuki; Kawai, Hiroki; Jono, Ryota; Yamashita, Koichi
2015-03-01
The molecular structures of carbon nanotubes are thought to be deeply related with various physical properties. Understanding the relationship is one of the challenges in designing potential materials. In this research, we theoretically investigated the thermal transport properties of carbon nanotubes, focusing the multi-walled structures. We investigated the thermal conductance of the double-walled carbon nanotubes (DWCNTs) by using the nonequilibrium Green's function method. It is found that the inter-layer interaction causes the suppression of thermal conductance at low temperature. The analysis of the transmission coefficients revealed that this suppression was attributed to the energy shifts of the normal modes from the synchronized vibrations. The mechanism of such energy shifts is examined by the coupled vibration model with the parameters extracted from our simulations, and we grasp the multi-wall effects on the thermal transport properties of the nanotube structures.
Modulation of the electron transport properties in graphene nanoribbons doped with BN chains
Liu, Wu; Zhang, Kaiwang Zhong, JianXin; Wang, Ru-Zhi; Liu, Li-Min
2014-06-15
Using density-functional theory and the non-equilibrium Green's function method, the electron transport properties of zigzag graphene nanoribbons (ZGNRs) doped with BN chains are studied by systematically calculating the energy band structure, density of states and the transmission spectra for the systems. The BN chains destroyed the electronic transport properties of the ZGNRs, and an energy gap appeared for the ZGNRs, and displayed variations from a metal to a wide-gap semiconductor. With an increase in the number of BN chains, the band gap increased gradually in the band structure and the transmission coefficient decreased near the Fermi surface. Additionally, the doping position had a significant effect on the electronic properties of the ZGNRs.
NASA Astrophysics Data System (ADS)
Clamagirand, J. M.; Ares, J. R.; Diaz-Chao, P.; Pascual, A.; Ferrer, I. J.; Sánchez, C.
2015-04-01
An experimental system able to simultaneously measure the electrical resistance and the thermopower of metallic and semiconducting thin films (with thicknesses from ~nm to ~µm) under sulfur atmosphere from room temperature up to 400?°C and total pressures >0.5-1?mbar is designed and implemented. Calibration tests of the system were performed with palladium foils and films as well as p-type and n-type sulfide semiconducting films: iron disulfide and palladium monosulfide. Uncertainties of measured thermopower and resistance values are less than 10% and 5%, respectively. To check the capability of the system under sulfur atmosphere, in situ measurements of transport properties during sulfuration of palladium films were carried out. During the process, sulfur partial pressure and film temperature are accurately controlled. Apparatus may be used to determine the evolution of transport properties of different metal sulfides during their formation/decomposition processes, opening new pathways to investigate the thermoelectric properties of more complex thin film sulfides.
Kondo effect goes anisotropic in vanadate oxide superlattices.
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. PMID:26444931
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.
Charge-Transport Anisotropy in a Uniaxially Aligned Diketopyrrolopyrrole-Based Copolymer.
Schott, Sam; Gann, Eliot; Thomsen, Lars; Jung, Seok-Heon; Lee, Jin-Kyun; McNeill, Christopher R; Sirringhaus, Henning
2015-12-01
Aligned films of a semiconducting DPP-based copolymer exhibit highly anisotropic charge transport with a band-like temperature dependence along the alignment direction and hole mobilities of up to 6.7 cm(2) V(-1) s(-1) . X-ray diffraction measurements reveal an exceptional degree of in-plane alignment, high crystallinity, and a dominant face-on orientation of the polymer backbones. The surprising charge-transport properties are interpreted in a tie-chain model consistent with anisotropic activation energies. PMID:26479721
Structure-dependent optical and electrical transport properties of nanostructured Al-doped ZnO
NASA Astrophysics Data System (ADS)
Gondoni, P.; Ghidelli, M.; Di Fonzo, F.; Carminati, M.; Russo, V.; Li Bassi, A.; Casari, C. S.
2012-09-01
The structure-property relation of nanostructured Al-doped ZnO thin films has been investigated in detail through a systematic variation of structure and morphology, with particular emphasis on how they affect optical and electrical properties. A variety of structures, ranging from compact polycrystalline films to mesoporous, hierarchically organized cluster assemblies, are grown by pulsed laser deposition at room temperature at different oxygen pressures. We investigate the dependence of functional properties on structure and morphology and show how the correlation between electrical and optical properties can be studied to evaluate energy gap, conduction band effective mass and transport mechanisms. Understanding these properties opens up opportunities for specific applications in photovoltaic devices, where optimized combinations of conductivity, transparency and light scattering are required.
Seki, Shiro; Tsuzuki, Seiji; Hayamizu, Kikuko; Serizawa, Nobuyuki; Ono, Shimpei; Takei, Katsuhito; Doi, Hiroyuki; Umebayashi, Yasuhiro
2014-05-01
We have measured physicochemical properties of five alkyltrimethylammonium cation-based room-temperature ionic liquids and compared them with those obtained from computational methods. We have found that static properties (density and refractive index) and transport properties (ionic conductivity, self-diffusion coefficient, and viscosity) of these ionic liquids show close relations with the length of the alkyl chain. In particular, static properties obtained by experimental methods exhibit a trend complementary to that by computational methods (refractive index ? [polarizability/molar volume]). Moreover, the self-diffusion coefficient obtained by molecular dynamics (MD) simulation was consistent with the data obtained by the pulsed-gradient spin-echo nuclear magnetic resonance technique, which suggests that computational methods can be supplemental tools to predict physicochemical properties of room-temperature ionic liquids. PMID:24702446
Gravitational stresses in anisotropic rock masses
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.
Thermal Fluctuations of Anisotropic Semiflexible Polymers
Sander L. Poelert; Harrie H. Weinans; Amir A. Zadpoor
2011-10-25
Thermal fluctuations of microtubules (MTs) and other cytoskeletal filaments govern to a great extent the complex rheological properties of the cytoskeleton in eukaryotic cells. In recent years, much effort has been put into capturing the dynamics of these fluctuations by means of analytical and numerical models. These attempts have been very successful for, but also remain limited to, isotropic polymers. To correctly interpret experimental work on (strongly) anisotropic semiflexible polymers, there is a need for a numerical modelling tool that accurately captures the dynamics of polymers with anisotropic material properties. In the current study, we present a finite element (FE) framework for simulating the thermal dynamics of a single anisotropic semiflexible polymer. First, we demonstrate the accuracy of our framework by comparison of the simulated mean square displacement (MSD) of the end-to-end distance with analytical predictions based on the worm-like chain model. Then, we implement a transversely isotropic material model, characteristic for biopolymers such as MTs, and study the persistence length for various ratios between the longitudinal shear modulus and corresponding Young's modulus. Finally, we put our findings in context by addressing a recent experimental work on grafted transversely isotropic MTs. In that research, a simplified static mechanical model was used to deduce a very high level of MT anisotropy to explain the observation that the persistence length of grafted MTs increases as contour length increases. We show, by means of our FE framework, that the anisotropic properties cannot account for the reported length-dependent persistence length.
NASA Astrophysics Data System (ADS)
Liu, Zheng-Qin; Wang, Rui-Qiang; Deng, Ming-Xun; Hu, Liang-Bin
2015-06-01
We have investigated the transport properties of the Dirac fermions through a ferromagnetic barrier junction on the surface of a strong topological insulator. The current-voltage characteristic curve and the tunneling conductance are calculated theoretically. Two interesting transport features are predicted: observable negative differential conductances and linear conductances tunable from unit to nearly zero. These features can be magnetically manipulated simply by changing the spacial orientation of the magnetization. Our results may contribute to the development of high-speed switching and functional applications or electrically controlled magnetization switching. Supported by National Natural Science Foundation of China under Grant Nos. 11174088, 11175067, 11274124
Liu, Chunyu; Chang, Kaiwen; Guo, Wenbin E-mail: chenwy@jlu.edu.cn Li, Hao; Shen, Liang; Chen, Weiyou E-mail: chenwy@jlu.edu.cn; Yan, Dawei E-mail: chenwy@jlu.edu.cn
2014-08-18
Carbon quantum dots (Cdots) are synthesized by a simple method and introduced into active layer of polymer solar cells (PSCs). The performance of doped devices was apparently improved, and the highest power conversion efficiency of 7.05% was obtained, corresponding to a 28.2% enhancement compared with that of the contrast device. The charge transport properties, resistance, impedance, and transient absorption spectrum are systematically investigated to explore how the Cdots affect on PSCs performance. This study reveals the importance of Cdots in enhancing the efficiency of PSCs and gives insight into the mechanism of charge transport improvement.
Synthesis and Quantum Transport Properties of Bi2Se3 Topological Insulator Nanostructures
Yan, Yuan; Liao, Zhi-Min; Zhou, Yang-Bo; Wu, Han-Chun; Bie, Ya-Qing; Chen, Jing-Jing; Meng, Jie; Wu, Xiao-Song; Yu, Da-Peng
2013-01-01
Bi2Se3 nanocrystals with various morphologies, including nanotower, nanoplate, nanoflake, nanobeam and nanowire, have been synthesized. Well-distinguished Shubnikov-de Haas (SdH) oscillations were observed in Bi2Se3 nanoplates and nanobeams. Careful analysis of the SdH oscillations suggests the existence of Berry's phase ?, which confirms the quantum transport of the surface Dirac fermions in both Bi2Se3 nanoplates and nanobeams without intended doping. The observation of the singular quantum transport of the topological surface states implies that the high-quality Bi2Se3 nanostructures have superiorities for investigating the novel physical properties and developing the potential applications. PMID:23405278
Cosmin Obreja, Alexandru; Cristea, Dana; Radoi, Antonio; Gavrila, Raluca; Comanescu, Florin; Kusko, Cristian; Mihalache, Iuliana
2014-08-25
We show that graphene quantum dots (GQD) embedded in a semiconducting poly(3-hexylthiophene) polymeric matrix act as charge trapping nanomaterials. In plane current-voltage (I-V) measurements of thin films realized from this nanocomposite deposited on gold interdigitated electrodes revealed that the GQD enhanced dramatically the hole transport. I-V characteristics exhibited a strong nonlinear behavior and a pinched hysteresis loop, a signature of a memristive response. The transport properties of this nanocomposite were explained in terms of a trap controlled space charge limited current mechanism.
Zhitinskaya, M. K. Nemov, S. A.; Muhtarova, A. A.; Shelimova, L. E.; Svechnikova, T. E.; Konstantinov, P. P.
2010-06-15
The kinetic coefficients of high-quality single crystals of ternary layered n-PbBi{sub 4}Te{sub 7} compounds have been measured in the temperature range of 77-400 K. These crystals, doped with electroactive Cd and Ag impurities, were grown by Czochralski pulling with melt supply through a floating crucible. A significant anisotropy of the thermoelectric properties is found. The means of incorporation of electroactive impurities into the ternary compound lattice is established. The experimental values of the Nernst-Ettingshausen coefficient have been analyzed together with the Seebeck, Hall, and conductivity data. The features of transport phenomena in PbBi{sub 4}Te{sub 7} can be explained within the single-band model of nonparabolic energy spectrum and mixed mechanism of electron scattering from acoustic phonons and the Coulomb potential of impurities. It is suggested that acoustic phonon scattering is dominant along the cleavage plane, whereas the impurity scattering dominates along the trigonal axis.
Properties of transported African mineral dust aerosols in the Mediterranean region
NASA Astrophysics Data System (ADS)
Denjean, Cyrielle; Chevaillier, Servanne; Gaimoz, Cécile; Grand, Noel; Triquet, Sylvain; Zapf, Pascal; Loisil, Rodrigue; Bourrianne, Thierry; Freney, Evelyn; Dupuy, Regis; Sellegri, Karine; Schwarzenbock, Alfons; Torres, Benjamin; Mallet, Marc; Cassola, Federico; Prati, Paolo; Formenti, Paola
2015-04-01
The transport of mineral dust aerosols is a global phenomenon with strong climate implications. Depending on the travel distance over source regions, the atmospheric conditions and the residence time in the atmosphere, various transformation processes (size-selective sedimentation, mixing, condensation of gaseous species, and weathering) can modify the physical and chemical properties of mineral dust, which, in turn, can change the dust's optical properties. The model predictions of the radiative effect by mineral dust still suffer of the lack of certainty of these properties, and their temporal evolution with transport time. Within the frame of the ChArMex project (Chemistry-Aerosol Mediterranean experiment, http://charmex.lsce.ipsl.fr/), one intensive airborne campaign (ADRIMED, Aerosol Direct Radiative Impact in the regional climate in the MEDiterranean region, 06 June - 08 July 2013) has been performed over the Central and Western Mediterranean, one of the two major transport pathways of African mineral dust. In this study we have set up a systematic strategy to determine the optical, physical and optical properties of mineral dust to be compared to an equivalent dataset for dust close to source regions in Africa. This study is based on airborne observations onboard the SAFIRE ATR-42 aircraft, equipped with state of the art in situ instrumentation to measure the particle scattering and backscattering coefficients (nephelometer at 450, 550, and 700 nm), the absorption coefficient (PSAP at 467, 530, and 660 nm), the extinction coefficient (CAPS at 530 nm), the aerosol optical depth (PLASMA at 340 to 1640 nm), the size distribution in the extended range 40 nm - 30 µm by the combination of different particle counters (SMPS, USHAS, FSSP, GRIMM) and the chemical composition obtained by filter sampling. The chemistry and transport model CHIMERE-Dust have been used to classify the air masses according to the dust origin and transport. Case studies of dust transport from known but differing origins (source regions in Tunisia, Algeria, and Mauritania) and at different times after transport, will be presented. Results will be compared to equivalent measurements over source regions interpreted in terms of the evolution of the particle size distribution, chemical composition and optical properties.
Development of the REFPROP database and transport properties of refrigerants. Final report
McLinden, M.O.
1998-07-01
This task consisted of developing Version 6.0 of the NIST Thermodynamic and Transport Properties of Refrigerants and Refrigerant Mixtures Database (REFPROP), entailing a complete revision of this database. This program is based on the most accurate pure fluid and mixture models currently available. The database development is further divided into the development of a graphical user interface and the development of Fortran subroutines which implement the property models. Three models are used for the thermodynamic properties of pure components, depending on the availability of data. The first is the modified Benedict-Webb-Rubin (MBWR) equation of state. It is capable of accurately representing the properties of a fluid over wide ranges of temperature, pressure, and density. The MBWR equation is the basis for the current international standard for the properties of R123. The second high-accuracy pure-fluid equation of state is written in terms of reduced molar Helmholtz free energy. This Helmholtz energy model is the basis for the international standard formulation for R134a. The third pure-fluid model is the extended corresponding states (ECS) model of Huber and Ely (1994). It is used for fluids with limited experimental data. The database calculates seventeen thermodynamic and transport properties, including surface tensions of pure fluids and mixtures. Commercialized blends, such as R407C and R410A, are predefined in the interface and are listed in a table.
Akande, Akinlolu Bhattacharya, Sandip; Cathcart, Thomas; Sanvito, Stefano
2014-02-21
We investigate with state of the art density functional theory the structural, electronic, and transport properties of a class of recently synthesized nanostructures based on triarylamine derivatives. First, we consider the single molecule precursors in the gas phase and calculate their static properties, namely (i) the geometrical structure of the neutral and cationic ions, (ii) the electronic structure of the frontier molecular orbitals, and (iii) the ionization potential, hole extraction potential, and internal reorganization energy. This initial study does not evidence any direct correlation between the properties of the individual molecules and their tendency to self-assembly. Subsequently, we investigate the charge transport characteristics of the triarylamine derivatives nanowires, by using Marcus theory. For one derivative we further construct an effective Hamiltonian including intermolecular vibrations and evaluate the mobility from the Kubo formula implemented with Monte Carlo sampling. These two methods, valid respectively in the sequential hopping and polaronic band limit, give us values for the room-temperature mobility in the range 0.1–12 cm{sup 2}/Vs. Such estimate confirms the superior transport properties of triarylamine-based nanowires, and make them an attracting materials platform for organic electronics.
Akande, Akinlolu; Bhattacharya, Sandip; Cathcart, Thomas; Sanvito, Stefano
2014-02-21
We investigate with state of the art density functional theory the structural, electronic, and transport properties of a class of recently synthesized nanostructures based on triarylamine derivatives. First, we consider the single molecule precursors in the gas phase and calculate their static properties, namely (i) the geometrical structure of the neutral and cationic ions, (ii) the electronic structure of the frontier molecular orbitals, and (iii) the ionization potential, hole extraction potential, and internal reorganization energy. This initial study does not evidence any direct correlation between the properties of the individual molecules and their tendency to self-assembly. Subsequently, we investigate the charge transport characteristics of the triarylamine derivatives nanowires, by using Marcus theory. For one derivative we further construct an effective Hamiltonian including intermolecular vibrations and evaluate the mobility from the Kubo formula implemented with Monte Carlo sampling. These two methods, valid respectively in the sequential hopping and polaronic band limit, give us values for the room-temperature mobility in the range 0.1-12 cm(2)/Vs. Such estimate confirms the superior transport properties of triarylamine-based nanowires, and make them an attracting materials platform for organic electronics. PMID:24559347
NASA Astrophysics Data System (ADS)
Zhang, Yongjun
A key part of the FutureGen concept is to support the production of hydrogen to fuel a "hydrogen economy," with the use of clean burning hydrogen in power-producing fuel cells, as well as for use as a transportation fuel. One of the key technical barriers to FutureGen deployment is reliable and efficient hydrogen separation technology. Most Hydrogen Transport Membrane (HTM) research currently focuses on separation technology and hydrogen flux characterization. No significant work has been performed on thermo-mechanical properties of HTMs. The objective of the thesis is to understand the structure-property correlation of HTM and to characterize (1) thermo mechanical properties under different reducing environments and thermal cycles (thermal shock), and (2) evaluate the stability of the novel HTM material. A novel HTM cermet bulk sample was characterized for its physical and mechanical properties at both room temperature and at elevated temperature up to 1000°C. Micro-structural properties and residual stresses were evaluated in order to understand the changing mechanism of the microstructure and its effects on the mechanical properties of materials. A correlation of the microstructural and thermo mechanical properties of the HTM system was established for both HTM and the substrate material. Mechanical properties of both selected structural ceramics and the novel HTM cermet bulk sample are affected mainly by porosity and microstructural features, such as grain size and pore size-distribution. The Young's Modulus (E-value) is positively correlated to the flexural strength for materials with similar crystallographic structure. However, for different crystallographic materials, physical properties are independent of mechanical properties. Microstructural properties, particularly, grain size and crystallographic structure, and thermodynamic properties are the main factors affecting the mechanical properties at both room and high temperatures. The HTM cermet behaves more like an elastic material at room temperature and as a ductile material at temperature above 850°C. The oxidation and the plasticity of Pd phase mainly affected the mechanical properties of HTM cermet at high temperature, also as a result of thermal cycling. Residual stress induced in the HTM by thermo cycles also plays a very critical role in defining the thermo-mechanical properties.
A polarized beam splitter using an anisotropic medium slab
Luo, H; Li, F; Ren, Z; Luo, Hailu; Shu, Weixing; Li, Fei; Ren, Zhongzhou
2006-01-01
The propagation of electromagnetic waves in the anisotropic medium with a single-sheeted hyperboloid dispersion relation is investigated. It is found that in such an anisotropic medium E- and H-polarized waves have the same dispersion relation, while E- and H-polarized waves exhibit opposite amphoteric refraction characteristics. E- (or H-) polarized waves are positively refracted whereas H- (or E-) polarized waves are negatively refracted at the interface associated with the anisotropic medium. By suitably using the properties of anomalous refraction in the anisotropic medium it is possible to realize a very simple and very efficient beam splitter to route the light. It is shown that the splitting angle and the splitting distance between E- and H- polarized beam is the function of anisotropic parameters, incident angle and slab thickness.
NASA Technical Reports Server (NTRS)
Mccarty, R. D.
1980-01-01
The thermodynamic and transport properties of selected cryogens had programmed into a series of computer routines. Input variables are any two of P, rho or T in the single phase regions and either P or T for the saturated liquid or vapor state. The output is pressure, density, temperature, entropy, enthalpy for all of the fluids and in most cases specific heat capacity and speed of sound. Viscosity and thermal conductivity are also given for most of the fluids. The programs are designed for access by remote terminal; however, they have been written in a modular form to allow the user to select either specific fluids or specific properties for particular needs. The program includes properties for hydrogen, helium, neon, nitrogen, oxygen, argon, and methane. The programs include properties for gaseous and liquid states usually from the triple point to some upper limit of pressure and temperature which varies from fluid to fluid.
Magnetic field effects on transport properties of PtSn4
Mun, Eundeok; Ko, Hyunjin; Miller, Gordon J.; Samolyuk, German D.; Bud'ko, Sergey L.; Canfield, Paul C.
2012-01-31
The anisotropic physical properties of single crystals of orthorhombic PtSn{sub 4} are reported for magnetic fields up to 140 kOe, applied parallel and perpendicular to the crystallographic b axis. The magnetic susceptibility has an approximately temperature-independent behavior and reveals an anisotropy between the ac plane and b axis. Clear de Haas-van Alphen oscillations in fields as low as 5 kOe and at temperatures as high as 30 K were detected in magnetization isotherms. The thermoelectric power and resistivity of PtSn{sub 4} show the strong temperature and magnetic field dependencies. A change of the thermoelectric power at H=140 kOe is observed as high as ?50 ?V/K. Single crystals of PtSn{sub 4} exhibit very large transverse magnetoresistance of ?5×10{sup 5}% for the ac plane and of ?1.4×10{sup 5}% for the b axis resistivity at 1.8 K and 140 kOe, as well as pronounced Shubnikov de Haas oscillations. The magnetoresistance of PtSn{sub 4} appears to obey Kohler's rule in the temperature and field range measured. The Hall resistivity shows a linear temperature dependence at high temperatures followed by a sign reversal around 25 K which is consistent with thermoelectric power measurements. The observed quantum oscillations and band structure calculations indicate that PtSn{sub 4} has three-dimensional Fermi surfaces.
Ilyasov, V. V. E-mail: chuongnguyen11@gmail.com; Meshi, B. C.; Nguyen, V. C. E-mail: chuongnguyen11@gmail.com; Ershov, I. V.; Nguyen, D. C.
2014-02-07
Results of ab initio study of magnetism and transport properties of charge carriers in zigzag graphene nanoribbons (ZGNR) on hexagonal boron nitride (h-BN(0001)) substrate are presented within the density functional theory framework. Peculiarities of the interface band structure and its role in the formation of magnetism and transport properties of the ZGNR/h-BN(0001) heterostructure have been studied using two different density functional approximations. The effect of the substrate and graphene nanoribbons width on the low-energy spectrum of ?-electrons, local magnetic moments on atoms of interface, and charge carriers mobility in the ZGNR/h-BN(0001) heterostructures have been established for the first time. The regularity consisting in the charge carrier mobility growth with decrease of dimers number in nanoribbon was also established. It is found that the charge carriers mobility in the N-ZGNR/h-BN(0001) (N—number of carbon (C) dimers) heterostructures is 5% higher than in freestanding ZGNR.
NASA Astrophysics Data System (ADS)
Ohzu, A.; Takase, M.; Haruyama, M.; Kurata, N.; Kobayashi, N.; Kureta, M.; Nakamura, T.; Toh, K.; Sakasai, K.; Suzuki, H.; Soyama, K.; Seya, M.
2015-10-01
The light transport properties of scintillator light inside alternative He-3 neutron detectors using scintillator sheets have been investigated by a ray-tracing simulation code. The detector consists of a light-reflecting tube, a thin rectangular ceramic scintillator sheet laminated on a glass plate, and two photo-multiplier tubes (PMTs) mounted at both ends of the detector tube. The flashes of light induced on the surface of the scintillator sheet via nuclear interaction between the scintillator and neutrons are detected by the two PMTs. The light output at both ends of various detectors in which the scintillator sheets are installed with several different arrangements were examined and evaluated in comparison with experimental results. The results derived from the simulation reveal that the light transport property is strongly dependent on the arrangement of the scintillator sheet inside the tube and the shape of the tube.
Impacts of Transport Properties of Porous Corrosion Product Layer on Effective Corrosion Rate
NASA Astrophysics Data System (ADS)
Li, Xiaobai; Cook, David
2012-11-01
Condensing exhaust gases containing H2O, SO3 and NOx cause serious corrosion failure in various industry processes. For example, in modern compact heat cells, corrosion products deposit on top of the heat exchanger cooling fins, blocking the flow passages and drastically decreasing system performance. The transport properties of porous corrosion product layers play important role in determining the corrosion tendency and observed corrosion rate. To understand the corrosion mechanism for Aluminum alloy in sulfuric acid environment, impacts of transport properties of corrosion residual layers are investigated with different numerical models for porous layer diffusivity. The effective corrosion rates resulted from these models are compared to corresponding experimental measurements. A multilayer diffusivity model in which diffusivity depends both on porous layer structure and composition shows excellent agreements with experimental data. This model is currently being used in a multi-scale flow simulation framework to predict corrosion phenomena in heat cells.
Aytug, Tolga; Gapud, Albert A.; List III, Frederick Alyious; Leonard, Keith J; Rupich, Marty; Zhang, Yanwen; Greenwood, N T; Alexander, J A; Khan, A
2015-01-01
Effects of low dose irradiation on the electrical transport current properties of commercially available high-temperature superconducting, coated-conductor tapes were investigated, in view of potential applications in the irradiative environment of fusion reactors. Three different tapes, each with unique as-grown flux-pinning structures, were irradiated with Au and Ni ions at energies that provide a range of damage effects, with accumulated damage levels near that expected for conductors in a fusion reactor environment. Measurements using transport current determined the pre- and post-irradiation resistivity, critical current density, and pinning force density, yielding critical temperatures, irreversibility lines, and inferred vortex creep rates. Results show that at the irradiation damage levels tested, any detriment to as-grown pre-irradiation properties is modest; indeed in one case already-superior pinning forces are enhanced, leading to higher critical currents.
On the statistical and transport properties of a non-dissipative Fermi-Ulam model.
Livorati, André L P; Dettmann, Carl P; Caldas, Iberê L; Leonel, Edson D
2015-10-01
The transport and diffusion properties for the velocity of a Fermi-Ulam model were characterized using the decay rate of the survival probability. The system consists of an ensemble of non-interacting particles confined to move along and experience elastic collisions with two infinitely heavy walls. One is fixed, working as a returning mechanism of the colliding particles, while the other one moves periodically in time. The diffusion equation is solved, and the diffusion coefficient is numerically estimated by means of the averaged square velocity. Our results show remarkably good agreement of the theory and simulation for the chaotic sea below the first elliptic island in the phase space. From the decay rates of the survival probability, we obtained transport properties that can be extended to other nonlinear mappings, as well to billiard problems. PMID:26520073
On the statistical and transport properties of a non-dissipative Fermi-Ulam model
NASA Astrophysics Data System (ADS)
Livorati, André L. P.; Dettmann, Carl P.; Caldas, Iberê L.; Leonel, Edson D.
2015-10-01
The transport and diffusion properties for the velocity of a Fermi-Ulam model were characterized using the decay rate of the survival probability. The system consists of an ensemble of non-interacting particles confined to move along and experience elastic collisions with two infinitely heavy walls. One is fixed, working as a returning mechanism of the colliding particles, while the other one moves periodically in time. The diffusion equation is solved, and the diffusion coefficient is numerically estimated by means of the averaged square velocity. Our results show remarkably good agreement of the theory and simulation for the chaotic sea below the first elliptic island in the phase space. From the decay rates of the survival probability, we obtained transport properties that can be extended to other nonlinear mappings, as well to billiard problems.
Transport properties of gases and binary liquids near the critical point
NASA Technical Reports Server (NTRS)
Sengers, J. V.
1972-01-01
A status report is presented on the anomalies observed in the behavior of transport properties near the critical point of gases and binary liquids. The shear viscosity exhibits a weak singularity near the critical point. An analysis is made of the experimental data for those transport properties, thermal conductivity and thermal diffusivity near the gas-liquid critical point and binary diffusion coefficient near the critical mixing point, that determine the critical slowing down of the thermodynamic fluctuations in the order parameter. The asymptotic behavior of the thermal conductivity appears to be closely related to the asymptotic behavior of the correlation length. The experimental data for the thermal conductivity and diffusivity are shown to be in substantial agreement with current theoretical predictions.
Zhang, Chen; Koros, William J
2015-10-28
Understanding how to control transport properties of zeolitic imidazolate frameworks (ZIFs) is critical to extend ZIF-based membranes and adsorbents to a wide spectrum of gas and vapor separations. In this work, we report a facile post-synthetic thermal modification (PSTM) technique to tailor ZIFs' transport properties by balancing diffusivity and diffusion selectivity. With controllable dissociation of framework methyl groups from a precursor ZIF (ZIF-8), we have prepared thermally modified ZIFs showing substantially increased n-butane diffusivity and attractive n/iso-butane diffusion selectivity. Hybrid ZIF/polymer mixed-matrix membranes formed using these thermally modified ZIFs are expected to deliver attractive butane isomer separation performance. Membranes based on such materials can potentially be used to retrofit refinery alkylation units for producing premium gasoline blending stocks. PMID:26451850
Magnetic and transport properties of Mn{sub 2}CoAl oriented films
Jamer, Michelle E.; Assaf, Badih A.; Devakul, Trithep; Heiman, Don
2013-09-30
The structure, magnetic, and transport properties of thin films of the Heusler ferrimagnet Mn{sub 2}CoAl have been investigated for properties related to spin gapless semiconductors. Oriented films were grown by molecular beam epitaxy on GaAs substrates and the structure was found to transform from tetragonal to cubic for increasing annealing temperature. The anomalous Hall resistivity is found to be proportional to the square of the longitudinal resistivity and magnetization expected for a topological Berry curvature origin. A delicate balance of the spin-polarized carrier type when coupled with voltage gate-tuning could significantly impact advanced electronic devices.
Effect of Li2O on the microstructure, magnetic and transport properties of Tl-2223 superconductor
NASA Astrophysics Data System (ADS)
Shipra, R.; Sefat, A. S.
2015-12-01
The present study gives an account of the effect of addition of Li2O on the ease of phase formation and superconducting properties of Tl2Ba2Ca2Cu3O10 + ? (Tl-2223) material. Li2O slightly decreases the superconducting transition temperature, while an optimal concentration of 20% Li2O improves the critical current density (Jc) by about two fold. We also found substantial effects on the synthesis temperature, microstructure and normal state transport properties of Tl-2223 with Li2O addition. Short-time annealing under flowing Ar + 4%H2 (1 h) further improves the superconducting volume fractions, as well as Jc.
NASA Astrophysics Data System (ADS)
Singh, Shubra; Rama, N.; Sethupathi, K.; Rao, M. S. Ramachandra
2008-04-01
We report on the transport and optical properties of transition metal ions, namely Ti, V, Fe, Co and Ni doped ZnO samples. Diffuse reflectance spectroscopy of doped ZnO showed the existence of absorption bands which were attributed to the d-d transitions of respective dopants. Resistivity was found to decrease in the case of Ti, V, Fe, and Ni dopings. Correlation between the electrical resistivity and magnetic properties of the samples has been explained on the basis of impurity d-band splitting model.
Point Mutations Effects on Charge Transport Properties of the Tumor-Suppressor Gene p53
NASA Astrophysics Data System (ADS)
Roemer, Rudolf A.; Shih, Chi-Tin; Roche, Stephan
2008-03-01
We report on a theoretical study of point mutations effects on charge transfer properties in the DNA sequence of the tumor-suppressor p53 gene. On the basis of effective tight-binding models which simulate hole propagation along the DNA, a statistical analysis of mutation-induced charge transfer modifications is performed. In contrast to non-cancerous mutations, mutation hotspots tend to result in significantly weaker changes of transmission properties. This suggests that charge transport could play a significant role for DNA-repairing deficiency yielding carcinogenesis.
Point Mutations Effects on Charge Transport Properties of the Tumor-Suppressor Gene p53
Chi-Tin Shih; Stephan Roche; Rudolf A. Römer
2007-08-23
We report on a theoretical study of point mutations effects on charge transfer properties in the DNA sequence of the tumor-suppressor p53 gene. On the basis of effective single-strand or double-strand tight-binding models which simulate hole propagation along the DNA, a statistical analysis of charge transmission modulations associated with all possible point mutations is performed. We find that in contrast to non-cancerous mutations, mutation hotspots tend to result in significantly weaker {\\em changes of transmission properties}. This suggests that charge transport could play a significant role for DNA-repairing deficiency yielding carcinogenesis.
Influence of phosphate on the transport properties of lead in sand.
Butkus, Michael A; Johnson, Marie C
2011-01-15
Temporal moment analysis was used to examine the transport of lead species in sand columns. The influence of sodium phosphate (PO(4(aq))) and hydroxyapatite (HA) on lead transport was also evaluated. Transport properties of lead microparticles (diameter>0.45 ?m) were a function of electrophoretic mobility: those particles with electrophoretic mobility less than -1 × 10(-8)m(2)/Vs exhibited significantly lower dimensionless first temporal moment (?) and second temporal moment (?(?)(2)). The forms of lead investigated in this work had a tendency to move in sand over a wide pH range. Although the PO(4(aq)) amendment substantially reduced lead mass recoveries in the sand column effluent, lead microparticles were formed that had a tendency to move rapidly and with minimal dispersion when compared with controls. Treatments with HA provided limited reduction in lead mass recovery and minimal changes in lead transport properties. A colloid stability model was used to predict attachment of lead particles in sand. PMID:20934809
Anisotropic models for compact stars
S. K. Maurya; Y. K. Gupta; Saibal Ray; Baiju Dayanandan
2015-05-31
In the present paper we obtain an anisotropic analogue of Durgapal-Fuloria (1985) perfect fluid solution. The methodology consists of contraction of anisotropic factor $\\Delta$ by the help of both metric potentials $e^{\
Fabrication and anomalous transport properties of an Sb/Bi segment nanowire nanojunction array.
Zhang, Y; Li, L; Li, G H
2005-10-01
An Sb (40 nm diameter)-Bi (30 nm diameter) segment nanowire nanojunction array was fabricated by pulsed electrodeposition. Electric transport properties of the junction array were studied down to 4.2 K and in magnetic fields up to 5 T. Temperature versus resistance measurements exhibited a resistive switching behaviour at zero magnetic field, but this feature disappeared with increasing magnetic field. These features might find application in sub-100 nm metal-semiconductor field effect transistors. PMID:20817978
Mass transport properties of Pu/DT mixtures from orbital free molecular dynamics simulations
Kress, Joel David; Ticknor, Christopher; Collins, Lee A.
2015-09-16
Mass transport properties (shear viscosity and diffusion coefficients) for Pu/DT mixtures were calculated with Orbital Free Molecular Dynamics (OFMD). The results were fitted to simple functions of mass density (for ?=10.4 to 62.4 g/cm^{3}) and temperature (for T=100 up to 3,000 eV) for Pu/DT mixtures consisting of 100/0, 25/75, 50/50, and 75/25 by number.
Random-walk-based estimates of transport properties in small specimens of composite materials.
Picka, Jeffrey D; Chermakani, Karthik
2003-04-01
A method based on random walks is developed for estimating the dc conductance and similar transport properties in small specimens of composite materials. The method is valid over a much wider range of material structures than are asymptotic methods, and requires only that the internal structure of the material be known. The error in its estimates is limited primarily by CPU speed. It is found to work best for composites consisting of a bulk conducting phase and inclusions of lower conductivity. PMID:12786344
NASA Astrophysics Data System (ADS)
Ogura, M.; Akai, H.
2012-11-01
Electrical transport properties of (La1-xXx)MnO3 (X = Ca, Sr), which exhibits the so-called colossal magnetoresistance (CMR) effect, are investigated in the framework of linear response theory combined with first-principles calculation. The calculation is performed by applying the coherent potential approximation and Kubo-Greenwood formula to the KKR Green’s function method. In order to reveal the mechanism that underlies the CMR effects, the dc conductivities of the system in A (layered)-, C (stripe)-, and G (111)-type antiferromagnetic states as well as the local moment disordered state are calculated as a function of x. It is found that the conductivity of the system strongly depends on the magnetic structure and is highly anisotropic in the cases of A- and C-type antiferromagnetic structures. Also, it is concluded that a drastic change in the conductivity is expected when the system undergoes a magnetic transition, and that this might be closely related to the observed CMR effect. It is pointed out that, for such a drastic change in the conductivity to occur associated with the magnetic transition, the half-metallic nature of the Mn local electronic structure must be essential.
A generalized anisotropic deformation formulation for geomaterials
NASA Astrophysics Data System (ADS)
Lei, Z.; Rougier, Esteban; Knight, E. E.; Munjiza, A.; Viswanathan, H.
2015-10-01
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.
Magnetic and transport properties of phase-separated manganite BiLaCaMnO
NASA Astrophysics Data System (ADS)
Zhang, R. R.; Kuang, G. L.; Zhao, B. C.; Sun, Y. P.
2010-01-01
We have investigated the magnetic and transport properties of Bi 0.1La 0.5Ca 0.4MnO 3 manganite, systematically. Four distinct feature temperature points in the temperature dependence of the magnetization curve M(T) occurring at ˜218 K, ˜181 K,˜112 K and ˜38 K are observed; these are suggested to be related to charge ordered (CO), weak ferromagnetic (FM), strong FM, and blocked metastable state. These temperature points can be changed by applying magnetic fields. The field-cooled (FC) M(T) curves show an obvious thermal hysteresis between the FC cooling (FCC) and FC warming (FCW) measuring process. The large variation between the FC and zero-field-cooled (ZFC) magnetization curves at low temperatures reflects the existence of blocked metastable states separated by high energy barriers. The blocked state can be weakened or eventually destroyed by applying magnetic fields. The field dependence of the magnetization and resistivity at both 5 K and 130 K shows that the magnetic and electrical transport properties are tightly correlated with the same critical field. The results indicate that CO and FM phases coexist in the sample at low temperatures. The local lattice distortion induced by the Bi 3+ doping may play an important role in the complex magnetic and transport properties of the sample.
Wojciech Florkowski; Radoslaw Maj
2013-09-11
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.
NASA Technical Reports Server (NTRS)
Sengers, J. V.; Basu, R. S.; Sengers, J. M. H. L.
1981-01-01
A survey is presented of representative equations for various thermophysical properties of fluids in the critical region. Representative equations for the transport properties are included. Semi-empirical modifications of the theoretically predicted asymtotic critical behavior that yield simple and practical representations of the fluid properties in the critical region are emphasized.
Transport properties of track-etched membranes having variable effective pore-lengths.
Nguyen, Quoc Hung; Ali, Mubarak; Nasir, Saima; Ensinger, Wolfgang
2015-12-01
The transport rate of molecules through polymeric membranes is normally limited because of their micrometer-scale thickness which restricts their suitability for more practical application. To study the effect of effective pore length on the transport behavior, polymer membranes containing cylindrical and asymmetric-shaped nanopores were prepared through a two-step ion track-etching technique. Permeation experiments were performed separately to investigate the transport properties (molecular flux and selectivity) of these track-etched membranes. The permeation data shows that the molecular flux across membranes containing asymmetric nanopores is higher compared to those having cylindrical pores. On the other hand, the cylindrical pore membranes exhibit higher selectivity than asymmetric pores for the permeation of charged molecules across the membrane. Current-voltage (I-V) measurements of single-pore membranes further verify that asymmetric pores exhibit lower resistance for the flow of ions and therefore show higher currents than cylindrical pores. Moreover, unmodified and polyethyleneimine (PEI) modified asymmetric-shaped pore membranes were successfully used for the separation of cationic and anionic analyte molecules from their mixture, respectively. In this study, two distinct effects (pore geometry and pore density, i.e. number of pores cm(-2)), which mainly influence membrane selectivity and molecular transport rates, were thoroughly investigated in order to optimize the membrane performance. In this context, we believe that membranes with high molecular transport rates could readily find their application in molecular separation and controlled drug delivery processes. PMID:26553245
Transport properties of track-etched membranes having variable effective pore-lengths
NASA Astrophysics Data System (ADS)
Nguyen, Quoc Hung; Ali, Mubarak; Nasir, Saima; Ensinger, Wolfgang
2015-12-01
The transport rate of molecules through polymeric membranes is normally limited because of their micrometer-scale thickness which restricts their suitability for more practical application. To study the effect of effective pore length on the transport behavior, polymer membranes containing cylindrical and asymmetric-shaped nanopores were prepared through a two-step ion track-etching technique. Permeation experiments were performed separately to investigate the transport properties (molecular flux and selectivity) of these track-etched membranes. The permeation data shows that the molecular flux across membranes containing asymmetric nanopores is higher compared to those having cylindrical pores. On the other hand, the cylindrical pore membranes exhibit higher selectivity than asymmetric pores for the permeation of charged molecules across the membrane. Current–voltage (I–V) measurements of single-pore membranes further verify that asymmetric pores exhibit lower resistance for the flow of ions and therefore show higher currents than cylindrical pores. Moreover, unmodified and polyethyleneimine (PEI) modified asymmetric-shaped pore membranes were successfully used for the separation of cationic and anionic analyte molecules from their mixture, respectively. In this study, two distinct effects (pore geometry and pore density, i.e. number of pores cm?2), which mainly influence membrane selectivity and molecular transport rates, were thoroughly investigated in order to optimize the membrane performance. In this context, we believe that membranes with high molecular transport rates could readily find their application in molecular separation and controlled drug delivery processes.
Two-Dimensional Porous Carbon: Synthesis and Ion-Transport Properties.
Zheng, Xiaoyu; Luo, Jiayan; Lv, Wei; Wang, Da-Wei; Yang, Quan-Hong
2015-09-23
Their chemical stability, high specific surface area, and electric conductivity enable porous carbon materials to be the most commonly used electrode materials for electrochemical capacitors (also known as supercapacitors). To further increase the energy and power density, engineering of the pore structures with a higher electrochemical accessible surface area, faster ion-transport path and a more-robust interface with the electrolyte is widely investigated. Compared with traditional porous carbons, two-dimensional (2D) porous carbon sheets with an interlinked hierarchical porous structure are a good candidate for supercapacitors due to their advantages in high aspect ratio for electrode packing and electron transport, hierarchical pore structures for ion transport, and short ion-transport length. Recent progress on the synthesis of 2D porous carbons is reported here, along with the improved electrochemical behavior due to enhanced ion transport. Challenges for the controlled preparation of 2D porous carbons with desired properties are also discussed; these require precise tuning of the hierarchical structure and a clarification of the formation mechanisms. PMID:26207982
NASA Astrophysics Data System (ADS)
Kiani, M.; Alavianmehr, M. M.; Otoofat, M.; Mohsenipour, A. A.; Ghatee, A.
2015-11-01
In this work, we identify a simple method for predicting transport properties of fluids over wide ranges of temperatures and pressure. In this respect, the capability of several equations of state (EOS) and second virial coefficient correlations to predict transport properties of fluids including carbon dioxide, methane and argon using modified Enskog theory (MET) is investigated. The transport properties in question are viscosity and thermal conductivity. The results indicate that the SRK EOS employed in the modified Enskog theory outperforms other equations of state. The average absolute deviation was found to be 12.2 and 18.5% for, respectively, the calculated thermal conductivity and viscosity using the MET.
NASA Astrophysics Data System (ADS)
Tsai, C. Y.; Chen, H. R.; Chang, F. C.; Kuo, H. H.; Cheng, H. M.; Tsai, W. C.; Chu, Y. H.; Lai, C. H.; Hsieh, W. F.
2014-04-01
We investigate the anisotropic stress dependent magnetic and phonon behaviors in self-assembled CoFe2O4-PbTiO3 (CFO-PTO) nanostructures deposited on SrRuO3 buffered SrTiO3 substrates of various thickness. The increased vertical compressed stress with increasing thickness enhances the vertical magnetic anisotropy of CFO while gradually reducing the vertical polarization of PTO. By applying the magnetic-field dependent Raman scattering, the CFO-A1g and T2g(1) phonon frequencies shift oppositely because of the magnetostriction. Moreover, the PTO-A1 mode intensities anomalously enhance and the A1 and E mode frequencies, respectively, increase and decrease, which prove the existence of the stress-mediated magnetoelectric (ME) effect. This study shows that the ME transmission process is dominated by interfacial stress, which is critical for enhancing the ME efficiency.
REPRESENTING AEROSOL DYNAMICS AND PROPERTIES IN CHEMICAL TRANSPORT MODELS BY THE METHOD OF MOMENTS.
SCHWARTZ, S.E.; MCGRAW, R.; BENKOVITZ, C.M.; WRIGHT, D.L.
2001-04-01
Atmospheric aerosols, suspensions of solid or liquid particles, are an important multi-phase system. Aerosols scatter and absorb shortwave (solar) radiation, affecting climate (Charlson et al., 1992; Schwartz, 1996) and visibility; nucleate cloud droplet formation, modifying the reflectivity of clouds (Twomey et al., 1984; Schwartz and Slingo, 1996) as well as contributing to composition of cloudwater and to wet deposition (Seinfeld and Pandis, 1998); and affect human health through inhalation (NRC, 1998). Existing and prospective air quality regulations impose standards on concentrations of atmospheric aerosols to protect human health and welfare (EPA, 1998). Chemical transport and transformation models representing the loading and geographical distribution of aerosols and precursor gases are needed to permit development of effective and efficient strategies for meeting air quality standards, and for examining aerosol effects on climate retrospectively and prospectively for different emissions scenarios. Important aerosol properties and processes depend on their size distribution: light scattering, cloud nucleating properties, dry deposition, and penetration into airways of lungs. The evolution of the mass loading itself depends on particle size because of the size dependence of growth and removal processes. For these reasons it is increasingly recognized that chemical transport and transformation models must represent not just the mass loading of atmospheric particulate matter but also the aerosol microphysical properties and the evolution of these properties if aerosols are to be accurately represented in these models. If the size distribution of the aerosol is known, a given property can be evaluated as the integral of the appropriate kernel function over the size distribution. This has motivated the approach of determining aerosol size distribution, and of explicitly representing this distribution and its evolution in chemical transport models.
NASA Astrophysics Data System (ADS)
Denjean, C.; Cassola, F.; Mazzino, A.; Triquet, S.; Chevaillier, S.; Grand, N.; Bourrianne, T.; Momboisse, G.; Sellegri, K.; Schwarzenbock, A.; Freney, E.; Mallet, M.; Formenti, P.
2015-08-01
This study presents in situ aircraft measurements of Saharan mineral dust transported over the western Mediterranean basin in June-July 2013 during the ChArMEx/ADRIMED (the Chemistry-Aerosol Mediterranean Experiment/Aerosol Direct Radiative Impact on the regional climate in the MEDiterranean region) airborne campaign. Dust events differing in terms of source region (Algeria, Tunisia and Morocco), time of tranport (1-5 days) and height of transport were sampled. Mineral dust were transported above the marine boundary layer, which conversely was dominated by pollution and marine aerosols. The dust vertical structure was extremely variable and characterized by either a single layer or a more complex and stratified structure with layers originating from different source regions. Mixing of mineral dust with pollution particles was observed depending on the height of transport of the dust layers. Dust layers carried higher concentration of pollution particles at intermediate altitude (1-3 km) than at elevated altitude (> 3 km), resulting in scattering Angstrom exponent up to 2.2 within the intermediate altitude. However, the optical properties of the dust plumes remained practically unchanged with respect to values previously measured over source regions, regardless of the altitude. Moderate light absorption of the dust plumes was observed with values of aerosol single scattering albedo at 530 nm ranging from 0.90 to 1.00 ± 0.04. Concurrent calculations from the aerosol chemical composition revealed a negligible contribution of pollution particles to the absorption properties of the dust plumes that was due to a low contribution of refractory black carbon in regards to the fraction of dust and sulfate particles. This suggests that, even in the presence of moderate pollution, likely a persistent feature in the Mediterranean, the optical properties of the dust plumes could be assimilated to those of native dust in radiative transfer simulations, modeling studies and satellite retrievals over the Mediterranean. Measurements also showed that the coarse mode of mineral dust was conserved even after 5 days of transport in the Mediterranean, which contrasts with the gravitational depletion of large particles observed during the transport of dust plumes over the Atlantic. Simulations with the WRF mesoscale meteorological model highlighted a strong vertical turbulence within the dust layers that could prevent deposition of large particles during their atmospheric transport. This has important implications for the dust radiative effects due to surface dimming, atmospheric heating and cloud formation. The results presented here add to the observational dataset necessary for evaluating the role of mineral dust on the regional climate and rainfall patterns in the western Mediterranean basin.
Evaluating field measured soil hydraulic properties in water transport simulations using the RZWQM
NASA Astrophysics Data System (ADS)
Cameira, M. R.; Ahuja, L.; Fernando, R. M.; Pereira, L. S.
2000-09-01
Better understanding and quantification of infiltration and water movement in macroporous soils is extremely important, both for optimising the use of water in agriculture and for minimising preferential transport of nitrogen and pesticides to groundwater. The methods of measuring soil hydraulic properties by conventional methods do not distinguish between the soil matrix and macropores that may be present in the sampled soil. The objective of this work is to evaluate a two-domain model of infiltration using the conventionally measured soil hydraulic properties considered as soil matrix properties, supplemented by macropore flow capacity measured with a tension infiltrometer. To determine the soil hydraulic characteristics a two step method was used, using field data from an infiltration redistribution experiment and running the Root Zone Water Quality Model (RZWQM) in the inverse mode. The results indicate that there is the need to develop a new technique to determine appropriate soil matrix and macropore properties in macroporous field soils. The hydraulic properties determined by conventional methods are apparently the properties of soil matrix, but seem to miss the effect of larger pores that are below the 1.0 mm diameter assumed to be the lower limit for macropores. The macropore properties determined with a tension infiltrometer apparently do not distinguish between continuous and dead-end macropores, and do not give any indication about the continuity of macropores with depth.
Gao, Hongjun
Transport properties of boron nanotubes investigated by ab initio calculation This article has been and IOP Publishing Ltd Transport properties of boron nanotubes investigated by ab initio calculation Guo of boron nanotubes (BNTs) by using the density functional theory (DFT). The transport properties of BNTs
NASA Astrophysics Data System (ADS)
Sharma, Yamini; Srivastava, Pankaj
2011-04-01
Crystalline arsenic telluride exists in two stable phases. The monoclinic ?-phase transforms to rhombohedral ?-phase under high pressure. The electronic, optical and transport properties of the two phases has been investigated using full potential linear augmented plane wave (LAPW) + local orbitals (lo) scheme, in the framework of DFT with generalized gradient approximation (GGA). We present the energy bands, density of states and optical properties like the complex dielectric functions and absorption coefficients. From the dynamic dielectric constant, the structural anisotropy for the monoclinic ?-phase is clearly observed, whereas the longitudinal and transverse components are almost identical for the ?-phase. The optical absorption profiles clearly indicate that ?-phase has possibility of greater multiple direct and indirect interband transitions in the infrared and visible regions compared to the ?-phase. The rhomohedral phase which has the Bi 2Te 3 type structure has the possibility of thermoelectric properties, therefore transport properties like electrical and thermal conductivities, Seebeck and Hall coefficients etc. are also calculated. Good agreements are found with the available experimental results.
Polymorphisms in Ion Transport Genes Are Associated with Eggshell Mechanical Property
Sun, Congjiao; Shi, Fengying; Wu, Guiqin; Liu, Aiqiao; Xu, Guiyun; Yang, Ning
2015-01-01
Eggshell mechanical property traits such as eggshell breaking strength (ESS), eggshell thickness (EST) and eggshell weight (ESW) are most common and important indexes to evaluate eggshell quality in poultry industry. Uterine ion transporters involve in eggshell formation and might be associated with eggshell mechanical property traits. In this study, 99 SNPs in 15 ion transport genes were selected to genotype 976 pedigreed hens of Rhode Island Red. ESS, EST and ESW were measured for each bird at 55 weeks of age. The association study showed that 14 SNPs in 8 genes were significantly related (p < 0.05) with at least one trait, and their contributions to phenotypic variance ranged from 0.23% to 4.14%. Both ATP2A3 and SLC4A5 had a significant effect on all the three traits. Strong linkage disequilibrium (LD) was detected among SNPs in four genes: ATP2A3, ITPR1, SLC8A3, SCNN1a. The significant effects of those diplotypes on eggshell mechanical property traits were found, and their contributions to phenotypic variance ranged from 0.50% to 0.70%. It was concluded that the identified SNPs and diplotypes in this study were potential markers influencing the eggshell mechanical properties, which could contribute to the genetic improvement of eggshell quality. PMID:26106883
Singh, Kuldip; Singh, Gurpreet; Sharma, Rohit
2010-07-15
Thermodynamic and electron transport properties of the argon and argon-hydrogen plasmas have been calculated under the local thermodynamic equilibrium conditions in temperature range of 10 000-40 000 K over the wide range of pressures. Electronic excitation affects strongly these properties especially at high pressures. The inclusion of electronically excited states (EES) in relevant partition function influences the internal contribution to frozen and total specific heat for argon and argon-hydrogen plasma and it has been observed that although the total specific heat of argon plasma is less than that of hydrogen plasma, yet its internal contribution is more. Compensation between different contributions to total specific heat (by including and neglecting EES) occurring in hydrogen plasmas at low pressures has not been observed in argon and argon-hydrogen plasmas. As electron transport properties strongly depend upon the degree of ionization, therefore larger relative errors are found for these properties with and without EES, and in contrast to hydrogen plasma there exist a dominance of electron-atom cross section at low temperatures and EES dominance at intermediate temperatures.
Renormalized anisotropic exchange for representing heat assisted magnetic recording media
NASA Astrophysics Data System (ADS)
Jiao, Yipeng; Liu, Zengyuan; Victora, R. H.
2015-05-01
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.
Kong, Tai; Bud'ko, Sergey L.; Canfield, Paul C.
2015-01-30
We present a detailed study of single crystalline K_{2}Cr_{3}As_{3} and analyze its thermodynamic and transport properties, anisotropic H_{c2}(T), and initial pressure dependence of T_{c}. In zero field, the temperature-dependent resistivity is metallic. Deviation from a linear temperature dependence is evident below 100 K and a T^{3} dependence is roughly followed from just above T_{c} (~10K) to ~40K. Anisotropic H_{c2}(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, H_{c2}(T) is linear with a slope ~–70 kOe/K. For field applied along the rod, the slope 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 ?, just above T_{c}, is 73 mJ/mol K^{2}; the Debye temperature ?_{D} is 220 K. As a result, the specific heat jump at the superconducting transition ?C~2.2?T_{c}. Finally, for hydrostatic pressures up to ~7 kbar, T_{c} decreases under pressure linearly at a rate of –0.034K/kbar.
Anisotropic Quintessence stars
Mehedi Kalam; Farook Rahaman; Sajahan Molla; Sk. Monowar Hossein
2013-10-23
We propose a relativistic model for quintessence stars with the combination of an anisotropic pressure corresponding to normal matter and a quintessence dark energy having a characteristic parameter {\\omega}q such that -1 <{\\omega}q < - 1/3. We discuss various physical features of the model and show that the model satisfies all the regularity conditions and can provide stable equilibrium configurations.
Anisotropic Quintessence stars
Kalam, Mehedi; Molla, Sajahan; Hossein, Sk Monowar
2013-01-01
We propose a relativistic model for quintessence stars with the combination of an anisotropic pressure corresponding to normal matter and a quintessence dark energy having a characteristic parameter {\\omega}q such that -1 <{\\omega}q < - 1/3. We discuss various physical features of the model and show that the model satisfies all the regularity conditions and can provide stable equilibrium configurations.
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.
Anisotropic Ambient Volume Shading.
Ament, Marco; Dachsbacher, Carsten
2016-01-01
We present a novel method to compute anisotropic shading for direct volume rendering to improve the perception of the orientation and shape of surface-like structures. We determine the scale-aware anisotropy of a shading point by analyzing its ambient region. We sample adjacent points with similar scalar values to perform a principal component analysis by computing the eigenvectors and eigenvalues of the covariance matrix. In particular, we estimate the tangent directions, which serve as the tangent frame for anisotropic bidirectional reflectance distribution functions. Moreover, we exploit the ratio of the eigenvalues to measure the magnitude of the anisotropy at each shading point. Altogether, this allows us to model a data-driven, smooth transition from isotropic to strongly anisotropic volume shading. In this way, the shape of volumetric features can be enhanced significantly by aligning specular highlights along the principal direction of anisotropy. Our algorithm is independent of the transfer function, which allows us to compute all shading parameters once and store them with the data set. We integrated our method in a GPU-based volume renderer, which offers interactive control of the transfer function, light source positions, and viewpoint. Our results demonstrate the benefit of anisotropic shading for visualization to achieve data-driven local illumination for improved perception compared to isotropic shading. PMID:26529745
Tuning The Optical, Charge Injection, and Charge Transport Properties of Organic Electronic Devices
NASA Astrophysics Data System (ADS)
Zalar, Peter
Since the early 1900's, synthetic insulating polymers (plastics) have slowly taken over the role that traditional materials like wood or metal have had as basic components for construction, manufactured goods, and parts. Plastics allow for high throughput, low temperature processing, and control of bulk properties through molecular modifications. In the same way, pi-conjugated organic molecules are emerging as a possible substitute for inorganic materials due to their electronic properties. The semiconductive nature of pi-conjugated materials make them an attractive candidate to replace inorganic materials, primarily due to their promise for low cost and large-scale production of basic semiconducting devices such as light-emitting diodes, solar cells, and field-effect transistors. Before organic semiconductors can be realized as a commercial product, several hurdles must be cleared. The purpose of this dissertation is to address three distinct properties that dominate the functionality of devices harnessing these materials: (1) optical properties, (2) charge injection, and (3) charge transport. First, it is shown that the electron injection barrier in the emissive layer of polymer light-emitting diodes can be significantly reduced by processing of novel conjugated oligoelectrolytes or deoxyribonucleic acid atop the emissive layer. Next, the charge transport properties of several polymers could be modified by processing them from solvents containing small amounts of additives or by using regioregular and enantiopure chemical structures. It is then demonstrated that the optical and electronic properties of Lewis basic polymer structures can be readily modified by interactions with strongly electron-withdrawing Lewis acids. Through red-shifted absorption, photoluminescence, and electroluminescence, a single pi-conjugated backbone can be polychromatic. In addition, interaction with Lewis acids can remarkably p-dope the hole transport of the parent polymer, leading to a two-orders of magnitude increase in the hole mobility. Finally, the hole, electron, and double carrier transport in solar cell devices are studied in a bid to examine the correlations between bulk morphologies and free carrier recombination. The sum of these works help to create new pathways for the synthesis and design of new pi-conjugated materials and device architectures. All of this is in hopes of achieving higher performance and more stable devices to rival inorganic systems.
NASA Astrophysics Data System (ADS)
Vali, R.; Khouzestani, H. F.
2014-01-01
We investigate theoretically the nonlocal transport properties in a ferromagnet/insulator/superconductor/insulator/ferromagnet (F/I/SC/I/F) junction with perpendicular magnetization formed on a topological insulator. The nonlocal conductance through the junction depends strongly on whether the perpendicular magnetizations of the two ferromagnets are in a parallel or an antiparallel alignment. This stems from the fact that on the surface of three dimensional topological insulator the exchange field acts as vector potential and from spin-momentum locking property of the topological insulator surface states. It is found that the nonlocal conductance as a function of barrier strength of the I regions exhibits a quantum switch on-off property.
Modeling electronic structure and transport properties of graphene with resonant scattering centers
NASA Astrophysics Data System (ADS)
Yuan, Shengjun; de Raedt, Hans; Katsnelson, Mikhail I.
2010-09-01
We present a detailed numerical study of the electronic properties of single-layer graphene with resonant (hydrogen) impurities and vacancies within a framework of noninteracting tight-binding model on a honeycomb lattice. The algorithms are based on the numerical solution of the time-dependent Schrödinger equation and applied to calculate the density of states, quasieigenstates, ac and dc conductivities of large samples containing millions of atoms. Our results give a consistent picture of evolution of electronic structure and transport properties of functionalized graphene in a broad range of concentration of impurities (from graphene to graphane), and show that the formation of impurity band is the main factor determining electrical and optical properties at intermediate impurity concentrations, together with a gap opening when approaching the graphane limit.
Modeling electronic structure and transport properties of graphene with resonant scattering centers
Yuan, Shengjun; Katsnelson, Mikhail I
2010-01-01
We present a detailed numerical study of the electronic properties of single-layer graphene with resonant ("hydrogen") impurities and vacancies within a framework of noninteracting tight-binding model on a honeycomb lattice. The algorithms are based on the numerical solution of the time-dependent Schr\\"{o}dinger equation and applied to calculate the density of states, \\textit{quasieigenstates}, AC and DC conductivities of large samples containing millions of atoms. Our results give a consistent picture of evolution of electronic structure and transport properties of functionalized graphene in a broad range of concentration of impurities (from graphene to graphane), and show that the formation of impurity band is the main factor determining electrical and optical properties at intermediate impurity concentrations, together with a gap opening when approaching the graphane limit.
Modeling electronic structure and transport properties of graphene with resonant scattering centers
Shengjun Yuan; Hans De Raedt; Mikhail I. Katsnelson
2010-09-17
We present a detailed numerical study of the electronic properties of single-layer graphene with resonant ("hydrogen") impurities and vacancies within a framework of noninteracting tight-binding model on a honeycomb lattice. The algorithms are based on the numerical solution of the time-dependent Schr\\"{o}dinger equation and applied to calculate the density of states, \\textit{quasieigenstates}, AC and DC conductivities of large samples containing millions of atoms. Our results give a consistent picture of evolution of electronic structure and transport properties of functionalized graphene in a broad range of concentration of impurities (from graphene to graphane), and show that the formation of impurity band is the main factor determining electrical and optical properties at intermediate impurity concentrations, together with a gap opening when approaching the graphane limit.
Computer programs for thermodynamic and transport properties of hydrogen (tabcode-II)
NASA Technical Reports Server (NTRS)
Roder, H. M.; Mccarty, R. D.; Hall, W. J.
1972-01-01
The thermodynamic and transport properties of para and equilibrium hydrogen have been programmed into a series of computer routines. Input variables are the pair's pressure-temperature and pressure-enthalpy. The programs cover the range from 1 to 5000 psia with temperatures from the triple point to 6000 R or enthalpies from minus 130 BTU/lb to 25,000 BTU/lb. Output variables are enthalpy or temperature, density, entropy, thermal conductivity, viscosity, at constant volume, the heat capacity ratio, and a heat transfer parameter. Property values on the liquid and vapor boundaries are conveniently obtained through two small routines. The programs achieve high speed by using linear interpolation in a grid of precomputed points which define the surface of the property returned.
NASA Technical Reports Server (NTRS)
Thompson, Richard A.; Lee, Kam-Pui; Gupta, Roop N.
1991-01-01
The computer codes developed here provide self-consistent thermodynamic and transport properties for equilibrium air for temperatures from 500 to 30000 K over a temperature range of 10 (exp -4) to 10 (exp -2) atm. These properties are computed through the use of temperature dependent curve fits for discrete values of pressure. Interpolation is employed for intermediate values of pressure. The curve fits are based on mixture values calculated from an 11-species air model. Individual species properties used in the mixture relations are obtained from a recent study by the present authors. A review and discussion of the sources and accuracy of the curve fitted data used herein are given in NASA RP 1260.
A two-dimensional mathematical model for simulating the transport and fate of organic chemicals in a laboratory scale, single layer aquifer is presented. The aquifer can be nonhomogeneous and anisotropic with respect to its fluid flow properties. he physical model has open inlet ...
Brunet, Jean-Patrick Leopold; Li, Li; Karpyn, Zuleima T.; Strazisar, Brian; Bromhal Grant
2013-08-01
Assessing the possibility of CO{sub 2} leakage is one of the major challenges for geological carbon sequestration. Injected CO{sub 2} can react with wellbore cement, which can potentially change cement composition and transport properties. In this work, we develop a reactive transport model based on experimental observations to understand and predict the property evolution of cement in direct contact with CO{sub 2}-saturated brine under diffusion-controlled conditions. The model reproduced the observed zones of portlandite depletion and calcite formation. Cement alteration is initially fast and slows down at later times. This work also quantified the role of initial cement properties, in particular the ratio of the initial portlandite content to porosity (defined here as ?), in determining the evolution of cement properties. Portlandite-rich cement with large ? values results in a localized “sharp” reactive diffusive front characterized by calcite precipitation, leading to significant porosity reduction, which eventually clogs the pore space and prevents further acid penetration. Severe degradation occurs at the cement–brine interface with large ? values. This alteration increases effective permeability by orders of magnitude for fluids that preferentially flow through the degraded zone. The significant porosity decrease in the calcite zone also leads to orders of magnitude decrease in effective permeability, where fluids flow through the low-permeability calcite zone. The developed reactive transport model provides a valuable tool to link cement–CO{sub 2} reactions with the evolution of porosity and permeability. It can be used to quantify and predict long-term wellbore cement behavior and can facilitate the risk assessment associated with geological CO{sub 2} sequestration.
Federal Register 2010, 2011, 2012, 2013, 2014
2013-02-08
...Transportation Board [Docket No. MCF 21049] Academy Express, L.L.C.--Acquisition of Property...SUMMARY: On January 10, 2013, Academy Express, L.L.C. (Academy), a motor carrier of passengers, filed an...
Mixing rules for optical and transport properties of warm, dense matter
Kress, Joel D; Horner, Daniel A; Collins, Lee A
2009-01-01
The warm, dense matter (WDM) regime requires a sophisticated treatment since neither ideal gas laws or fully ionized plasma models apply. Mixtures represent the predominant form of matter throughout the universe and the ability to predict the properties of a mixture, though direct simulation or from convolution of the properties of the constituents is both a challenging prospect and an important goal. Through quantum molecular dynamics (QMD), we accurately simulate WDM and compute equations of state, transport, and optical properties of such materials, including mixtures, in a self-consistent manner from a single simulation. With the ability to directly compute the mixture properties, we are able to validate mixing rules for combining the optical and dynamical properties of Li and H separately to predict the properties of lithium hydride (LiH). We have examined two such mixing rules and extend them to morphologies beyond a simple liquid alloy. We have also studied a mixture of polyethylene and aluminum at T = 1 eV.
Literature Survey of Crude Oil Properties Relevant to Handling and Fire Safety in Transport.
Lord, David; Luketa, Anay; Wocken, Chad; Schlasner, Steve; Aulich, Ted; Allen, Ray; Rudeen, David Keith
2015-03-01
Several fiery rail accidents in 2013-2015 in the U.S. and Canada carrying crude oil produced from the Bakken region of North Dakota have raised questions at many levels on the safety of transporting this, and other types of crude oil, by rail. Sandia National Laboratories was commissioned by the U.S. Department of Energy to investigate the material properties of crude oils, and in particular the so-called "tight oils" like Bakken that comprise the majority of crude oil rail shipments in the U.S. at the current time. The current report is a literature survey of public sources of information on crude oil properties that have some bearing on the likelihood or severity of combustion events that may occur around spills associated with rail transport. The report also contains background information including a review of the notional "tight oil" field operating environment, as well a basic description of crude oils and potential combustion events in rail transport. This page intentionally blank
Hopping Conduction and Bacteria: Transport Properties of Disordered Reaction-Diffusion Systems
NASA Astrophysics Data System (ADS)
Missel, Andrew; Dahmen, Karin
2008-03-01
Reaction-diffusion (RD) systems are used to model everything from the formation of animal coat patterns to the spread of genes in a population to the seasonal variation of plankton density in the ocean. In all of these problems, disorder plays a large role, but determining its effects on transport properties in RD systems has been a challenge. We present here both analytical and numerical studies of a particular disordered RD system consisting of particles which are allowed to diffuse and compete for resources (2A->A) with spatially homogeneous rates, reproduce (A->2A) in certain areas (``oases''), and die (A->0) everywhere else (the ``desert''). In the low oasis density regime, transport is mediated through rare ``hopping events'' in which a small number of particles diffuse through the desert from one oasis to another; the situation is mathematically analogous to hopping conduction in doped semiconductors, and this analogy, along with some ideas from first passage percolation theory, allows us to make some quantitative predictions about the transport properties of the system on a large scale.
Anisotropic conductivity tensor imaging in MREIT using directional diffusion rate of water molecules
NASA Astrophysics Data System (ADS)
In Kwon, Oh; Jeong, Woo Chul; Sajib, Saurav Z. K.; Kim, Hyung Joong; Woo, Eung Je
2014-06-01
Magnetic resonance electrical impedance tomography (MREIT) is an emerging method to visualize electrical conductivity and/or current density images at low frequencies (below 1 KHz). Injecting currents into an imaging object, one component of the induced magnetic flux density is acquired using an MRI scanner for isotropic conductivity image reconstructions. Diffusion tensor MRI (DT-MRI) measures the intrinsic three-dimensional diffusion property of water molecules within a tissue. It characterizes the anisotropic water transport by the effective diffusion tensor. Combining the DT-MRI and MREIT techniques, we propose a novel direct method for absolute conductivity tensor image reconstructions based on a linear relationship between the water diffusion tensor and the electrical conductivity tensor. We first recover the projected current density, which is the best approximation of the internal current density one can obtain from the measured single component of the induced magnetic flux density. This enables us to estimate a scale factor between the diffusion tensor and the conductivity tensor. Combining these values at all pixels with the acquired diffusion tensor map, we can quantitatively recover the anisotropic conductivity tensor map. From numerical simulations and experimental verifications using a biological tissue phantom, we found that the new method overcomes the limitations of each method and successfully reconstructs both the direction and magnitude of the conductivity tensor for both the anisotropic and isotropic regions.
Holm, J. A.; Thrower, A. W.; Widmayer, D. A.; Portner, W.
2003-02-26
The shipment of transuranic (TRU) radioactive waste to the Waste Isolation Pilot Plant (WIPP) in New Mexico raised a serious socioeconomic issue - the potential devaluation of property values due to the transportation of TRU waste from generator sites to the disposal facility. In 1992, the New Mexico Supreme Court held in City of Santa Fe v. Komis that a loss in value from public perception of risk was compensable. This issue has become an extremely important one for the development of the Yucca Mountain repository in Nevada for disposal of spent nuclear fuel and high-level radioactive waste. Much research has been conducted about the potential impacts of transportation of spent fuel and radioactive waste. This paper examines the pertinent studies conducted since the Komis case. It examines how the public debate on radioactive materials transportation continues and is now focused on transportation of high-level waste and spent nuclear fuel to the proposed Yucca Mountain repository. Finally, the paper suggests a path forward DOE can take to address this issue.
Is anisotropic flow really acoustic?
Roy A. Lacey; Yi Gu; X. Gong; D. Reynolds; N. N. Ajitanand; J. M. Alexander; A. Mwai; A. Taranenko
2013-08-18
The flow harmonics for charged hadrons ($v_{n}$) and their ratios $(v_n/v_2)_{n\\geq 3}$, are studied for a broad range of transverse momenta ($p_T$) and centrality ($\\text{cent}$) in Pb+Pb collisions at $\\sqrt{s_{NN}}= 2.76$ TeV. They indicate characteristic scaling patterns for viscous damping consistent with the dispersion relation for sound propagation in the plasma produced in the collisions. These scaling properties are not only a unique signature for anisotropic expansion modulated by the specific shear viscosity ($\\eta/s$), they provide essential constraints for the relaxation time, a distinction between two of the leading models for initial eccentricity, as well as an extracted $\\left$ value which is insensitive to the initial geometry model. These constraints could be important for a more precise determination of $\\eta/s$.
Data-driven imaging in anisotropic media
Volker, Arno; Hunter, Alan
2012-05-17
Anisotropic materials are being used increasingly in high performance industrial applications, particularly in the aeronautical and nuclear industries. Some important examples of these materials are composites, single-crystal and heavy-grained metals. Ultrasonic array imaging in these materials requires exact knowledge of the anisotropic material properties. Without this information, the images can be adversely affected, causing a reduction in defect detection and characterization performance. The imaging operation can be formulated in two consecutive and reciprocal focusing steps, i.e., focusing the sources and then focusing the receivers. Applying just one of these focusing steps yields an interesting intermediate domain. The resulting common focus point gather (CFP-gather) can be interpreted to determine the propagation operator. After focusing the sources, the observed travel-time in the CFP-gather describes the propagation from the focus point to the receivers. If the correct propagation operator is used, the measured travel-times should be the same as the time-reversed focusing operator due to reciprocity. This makes it possible to iteratively update the focusing operator using the data only and allows the material to be imaged without explicit knowledge of the anisotropic material parameters. Furthermore, the determined propagation operator can also be used to invert for the anisotropic medium parameters. This paper details the proposed technique and demonstrates its use on simulated array data from a specimen of Inconel single-crystal alloy commonly used in the aeronautical and nuclear industries.
Effects of heavy ion irradiation on the thermodynamic and transport properties of YBCO
NASA Astrophysics Data System (ADS)
Luo, Xu; Leroux, Maxime; Mishra, Vivek; Ling, Xinsheng; Welp, Ulrich; Kwok, Wai-Kwong
2015-03-01
The effects of Au heavy ion irradiation (HII) on the transport and thermodynamic properties of untwined YBCO crystals irradiated to dose matching fields of B? = 6 Tesla and 1 Tesla along the crystallographic c-axis were studied by angle resolved magnetoresistivtiy and high resolution AC specific heat measurements. Results from transport measurements confirm an enhancement in the ab-plane critical current for magnetic fields aligned along the columnar defects induced by HII. Surprisingly, specific heat measurements reveal a reduction in the thermodynamic upper critical field anisotropy of YBCO by about one half in the B? = 6T crystal. Moreover, for the B? = 1T crystal, we found the formation of an anomalous peak in the critical temperature near the direction of HII which may be associated with the Bose-glass transition. Work supported by Department of Energy, Office of Science, Office of Basic Energy Sciences under Contract No. DE-AC02-06CH11357.
Calculated transport properties of CdO: thermal conductivity and thermoelectric power factor
Lindsay, Lucas R.; Parker, David S.
2015-10-01
We present first principles calculations of the thermal and electronic transport properties of the oxide semiconductor CdO. In particular, we find from theory that the accepted thermal conductivity ? value of 0.7 Wm-1K-1 is approximately one order of magnitude too small; our calculations of ? of CdO are in good agreement with recent measurements. We also find that alloying of MgO with CdO is an effective means to reduce the lattice contribution to ?, despite MgO having a much larger thermal conductivity. We further consider the electronic structure of CdO in relation to thermoelectric performance, finding that large thermoelectric powermore »factors may occur if the material can be heavily doped p-type. This work develops insight into the nature of thermal and electronic transport in an important oxide semiconductor.« less
Electronic and Quantum Transport Properties of Atomically Identified Si Point Defects in Graphene.
Lopez-Bezanilla, Alejandro; Zhou, Wu; Idrobo, Juan-Carlos
2014-05-15
We report high-resolution scanning transmission electron microscopy images displaying a range of inclusions of isolated silicon atoms at the edges and inner zones of graphene layers. Whereas the incorporation of Si atoms to a graphene armchair edge involves no reconstruction of the neighboring carbon atoms, the inclusion of a Si atom to a zigzag graphene edge entails the formation of five-membered carbon rings. In all the observed atomic edge terminations, a Si atom is found bridging two C atoms in a 2-fold coordinated configuration. The atomic-scale observations are underpinned by first-principles calculations of the electronic and quantum transport properties of the structural anomalies. Experimental estimations of Si-doped graphene band gaps realized by means of transport measurements may be affected by a low doping rate of 2-fold coordinated Si atoms at the graphene edges, and 4-fold coordinated at inner zones due to the apparition of mobility gaps. PMID:26270371
Molecular-Flow Properties of RIB Type Vapor-Transport Systems Using a Fast-Valve
Alton, Gerald D; Bilheux, Hassina Z; Zhang, Y.; Liu, Yuan
2014-01-01
The advent of the fast-valve device, described previously, permits measurement of molecular-flow times of chemically active or inactive gaseous species through radioactive ion beam (RIB) target ion source systems, independent of size, geometry and materials of construction. Thus, decay losses of short-half-life RIBs can be determined for a given target/vapor-transport system in advance of on-line operation, thereby ascertaining the feasibility of the system design for successful processing of a given isotope. In this article, molecular-flow-time theory and experimentally measured molecular-flow time data are given for serial- and parallel-coupled Ta metal RIB vapor-transport systems similar to those used at ISOL based RIB facilities. In addition, the effect of source type on the molecular-flow time properties of a given system is addressed, and a chemical passivation method for negating surface adsorption enthalpies for chemically active gaseous species on Ta surfaces is demonstrated.
Low Band Gap Thiophene-Perylene Diimide Systems with Tunable Charge Transport Properties
Balaji, Ganapathy; Kale, Tejaswini S.; Keerthi, Ashok; Della Pelle, Andrea M.; Thayumanavan, S.; Vallyaveettil, Surech
2010-11-30
Perylenediimide-pentathiophene systems with varied architecture of thiophene units were synthesized. The photophysical, electrochemical, and charge transport behavior of the synthesized compounds were studied. Both molecules showed a low band gap of ~1.4 eV. Surprisingly, the molecule with pentathiophene attached via ?-position to the PDI unit upon annealing showed a predominant hole mobility of 1 × 10^{-4} cm^{2} V^{-1} s^{-1} whereas the compound with branched pentathiophene attached via ?-position showed an electron mobility of 9.8 × 10^{-7} cm^{2} V^{-1} s^{-1}. This suggests that charge transport properties can be tuned by simply varying the architecture of pentathiophene units.
Photo-transport properties of Pb{sub 2}CrO{sub 5} single crystals
Mondal, P. S.; Okazaki, R. Taniguchi, H.; Terasaki, I.
2014-11-21
We report photo-thermoelectric transport phenomena in Pb{sub 2}CrO{sub 5} single crystals. Without illumination, this material exhibits an insulating behavior characterized by an activation-type temperature variation of the electrical conductivity. The Seebeck coefficient contrastingly shows a crossover from high-temperature insulating to low-temperature metallic behavior, which is attributed to degenerate carriers in a donor level. We have found that under illumination, both the conductivity and the Seebeck coefficient increase in magnitude with increasing photon flux density in the degenerate-conduction regime. This result is difficult to understand within a simple photo-doping effect, which usually leads to a decrease in the Seebeck coefficient under illumination. The observed phenomenon is discussed in terms of a two-carrier contribution to the transport properties.
Thermal transport properties of metal/MoS{sub 2} interfaces from first principles
Mao, Rui; Kong, Byoung Don; Kim, Ki Wook
2014-07-21
Thermal transport properties at the metal/MoS{sub 2} interfaces are analyzed by using an atomistic phonon transport model based on the Landauer formalism and first-principles calculations. The considered structures include chemisorbed Sc(0001)/MoS{sub 2} and Ru(0001)/MoS{sub 2}, physisorbed Au(111)/MoS{sub 2}, as well as Pd(111)/MoS{sub 2} with intermediate characteristics. Calculated results illustrate a distinctive dependence of thermal transfer on the details of interfacial microstructures. More specifically, the chemisorbed case with a stronger bonding exhibits a generally smaller interfacial thermal resistance than the physisorbed. Comparison between metal/MoS{sub 2} and metal/graphene systems suggests that metal/MoS{sub 2} is significantly more resistive. Further examination of lattice dynamics identifies the presence of multiple distinct atomic planes and bonding patterns at the interface as the key origins of the observed large thermal resistance.
Calculated transport properties of CdO: Thermal conductivity and thermoelectric power factor
NASA Astrophysics Data System (ADS)
Lindsay, L.; Parker, D. S.
2015-10-01
We present first-principles calculations of the thermal and electronic transport properties of the oxide semiconductor CdO. In particular, we find from theory that the accepted thermal conductivity ? value of 0.7 W m-1K-1 is approximately one order of magnitude too small; our calculations of ? of CdO are in good agreement with recent measurements. We also find that alloying of MgO with CdO is an effective means to reduce the lattice contribution to ? , despite MgO having a much larger thermal conductivity. We further consider the electronic structure of CdO in relation to thermoelectric performance, finding that large thermoelectric power factors may occur if the material can be heavily doped p type. This work develops insight into the nature of thermal and electronic transport in an important oxide semiconductor.