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Sample records for finite temperature properties

  1. Finite-Temperature Properties of Three-Dimensional Chiral Helimagnets

    NASA Astrophysics Data System (ADS)

    Shinozaki, Misako; Hoshino, Shintaro; Masaki, Yusuke; Kishine, Jun-ichiro; Kato, Yusuke

    2016-07-01

    We study a three-dimensional (3d) classical chiral helimagnet at finite temperatures through analysis of a spin Hamiltonian, which is defined on a simple cubic lattice and consists of the Heisenberg exchange, monoaxial Dzyaloshinskii-Moriya interactions, and the Zeeman energy due to a magnetic field applied in the plane perpendicular to the helical axis. We take account of the quasi-two-dimensionality of the known monoaxial chiral helimagnet CrNb3S6 and we adopt three methods: (i) a conventional mean-field (MF) analysis, which we call the 3dMF method, (ii) a hybrid method called the 2dMC-1dMF method, which is composed of a classical Monte Carlo (MC) simulation and a MF approximation applied respectively to the intra- and interlayer interactions, and (iii) a simple-MC simulation (3dMC) at zero field. The temperature dependence of the magnetization calculated by the 3dMF method shows a cusp-like structure similar to that observed in experiments. In the absence of a magnetic field, both 2dMC-1dMF and 3dMC yield similar values of the transition temperature. The 2dMC-1dMF method provides a quantitative description of the thermodynamic properties, even under an external field, at an accessible numerical cost.

  2. Restoration of topological properties at finite temperatures in a heavy-fermion system

    NASA Astrophysics Data System (ADS)

    Yoshida, Tsuneya; Peters, Robert; Kawakami, Norio

    2016-01-01

    We study how topological phases evolve in the Kane-Mele-Kondo lattice at finite temperatures and obtain the topological Doniach phase diagram. In particular, we find an intriguing crossover behavior induced by the interplay between the topological structure and electron correlations; the topological properties are restored by temperature effects. This restoration can be observed in the behavior of the bulk as well as the edge. In the bulk, we observe an increase of the spin-Hall conductivity at finite temperatures, while it is zero in the low-temperature region. At the edge, we observe gapless edge modes emerging with increasing temperature.

  3. Meson properties in a nonlocal SU(3) chiral quark model at finite temperature

    SciTech Connect

    Contrera, G. A.; Gomez Dumm, D.; Scoccola, N. N.

    2010-11-12

    Finite temperature meson properties are studied in the context of a nonlocal SU(3) quark model which includes flavor mixing and the coupling of quarks to the Polyakov loop (PL). We analyze the behavior of scalar and pseudoscalar meson masses and mixing angles, as well as quark-meson couplings and pseudoscalar meson decay constants.

  4. Finite Temperature Properties of Three-Component Fermion Systems in Optical Lattice

    NASA Astrophysics Data System (ADS)

    Yanatori, Hiromasa; Koga, Akihisa

    2016-01-01

    We investigate finite temperature properties in the half-filled three-component (colors) fermion systems. It is clarified that a color density-wave (CDW) state is more stable than a color-selective "antiferromagnetic" (CSAF) state against thermal fluctuations. The reentrant behavior in the phase boundary for the CSAF state is found. We also address the maximum critical temperature of the translational symmetry breaking states in the multicomponent fermionic systems.

  5. Quark matter and meson properties in a Nonlocal SU(3) chiral quark model at finite temperature

    SciTech Connect

    Gomez Dumm, D.; Contrera, G. A.

    2012-06-15

    We study the finite temperature behavior of light scalar and pseudoscalar meson properties in the context of a three-flavor nonlocal chiral quark model. The model includes mixing with active strangeness degrees of freedom, and takes care of the effect of gauge interactions by coupling the quarks with a background color field. We analyze the chiral restoration and deconfinement transitions, as well as the temperature dependence of meson masses, mixing angles, and decay constants.

  6. Finite temperature effect on mechanical properties of graphene sheets with various grain boundaries

    NASA Astrophysics Data System (ADS)

    Yong, Ge; Hong-Xiang, Sun; Yi-Jun, Guan; Gan-He, Zeng

    2016-06-01

    The mechanical properties of graphene sheets with various grain boundaries are studied by molecular dynamics method at finite temperatures. The finite temperature reduces the ultimate strengths of the graphenes with different types of grain boundaries. More interestingly, at high temperatures, the ultimate strengths of the graphene with the zigzag-orientation grain boundaries at low tilt angles exhibit different behaviors from those at lower temperatures, which is determined by inner initial stress in grain boundaries. The results indicate that the finite temperature, especially the high one, has a significant effect on the ultimate strength of graphene with grain boundaries, which gives a more in-depth understanding of their mechanical properties and could be useful for potential graphene applications. Project supported by the Nation Natural Science Foundation of China (Grant Nos. 11347219 and 11404147), the Natural Science Foundation of Jiangsu Province, China (Grant No. BK20140519), the Training Project of Young Backbone Teacher of Jiangsu University, the Advanced Talents of Jiangsu University, China (Grant No. 11JDG118), the Practice Innovation Training Program Projects for Industrial Center of Jiangsu University, China, and the State Key Laboratory of Acoustics, Chinese Academy of Sciences (Grant No. SKLOA201308).

  7. A finite element technique for non-deterministic thermal deformation analyses including temperature dependent material properties

    NASA Technical Reports Server (NTRS)

    Case, W. R., Jr.; Walston, W. H., Jr.

    1977-01-01

    A technique utilizing the finite element displacement method is developed for the static analysis of structures subjected to non-deterministic thermal loading in which the material properties, assumed isotropic, are temperature dependent. Matrix equations are developed for the first two statistical moments of the displacements using a third order series expansion for the displacements in terms of the random temperatures. Sample problems are included to demonstrate the range of applicability of the third order series solutions. These solutions are compared with results from Monte Carlo analyses and also, for some problems, with solutions obtained by numerically integrating equations for the statistical properties of the displacements. In general, it is shown that the effect of temperature dependent material properties can have a significant effect on the covariances of the displacements.

  8. Finite-temperature properties of strongly correlated fermions in the honeycomb lattice

    NASA Astrophysics Data System (ADS)

    Tang, Baoming; Paiva, Thereza; Khatami, Ehsan; Rigol, Marcos

    2013-09-01

    We study finite-temperature properties of strongly interacting fermions in the honeycomb lattice using numerical linked-cluster expansions and determinantal quantum Monte Carlo simulations. We analyze a number of thermodynamic quantities, including the entropy, the specific heat, uniform and staggered spin susceptibilities, short-range spin correlations, and the double occupancy at and away from half filling. We examine the viability of adiabatic cooling by increasing the interaction strength for homogeneous as well as for trapped systems. For the homogeneous case, this process is found to be more efficient at finite doping than at half filling. That, in turn, leads to an efficient adiabatic cooling in the presence of a trap, which, starting with even relatively high entropies, can drive the system to have a Mott insulating phase with substantial antiferromagnetic correlations.

  9. QUARKONIUM AT FINITE TEMPERATURE.

    SciTech Connect

    UMEDA, T.

    2006-06-09

    Lattice QCD studies on charmonium at finite temperature are presented After a discussion about problems for the Maximum Entropy Method applied to finite temperature lattice QCD, I show several results on charmonium spectral functions. The 'wave function' of charmonium is also discussed to study the spatial correlation between quark and anti-quark in deconfinement phase.

  10. Meson properties at finite temperature in a three flavor nonlocal chiral quark model with Polyakov loop

    SciTech Connect

    Contrera, G. A.; Dumm, D. Gomez; Scoccola, Norberto N.

    2010-03-01

    We study the finite temperature behavior of light scalar and pseudoscalar meson properties in the context of a three-flavor nonlocal chiral quark model. The model includes mixing with active strangeness degrees of freedom, and takes care of the effect of gauge interactions by coupling the quarks with the Polyakov loop. We analyze the chiral restoration and deconfinement transitions, as well as the temperature dependence of meson masses, mixing angles and decay constants. The critical temperature is found to be T{sub c{approx_equal}}202 MeV, in better agreement with lattice results than the value recently obtained in the local SU(3) PNJL model. It is seen that above T{sub c} pseudoscalar meson masses get increased, becoming degenerate with the masses of their chiral partners. The temperatures at which this matching occurs depend on the strange quark composition of the corresponding mesons. The topological susceptibility shows a sharp decrease after the chiral transition, signalling the vanishing of the U(1){sub A} anomaly for large temperatures.

  11. Slave-particle approach to the finite-temperature properties of ultracold Bose gases in optical lattices

    SciTech Connect

    Lu Xiancong; Yu Yue; Li Jinbin

    2006-04-15

    By using slave particle (slave boson and slave fermion) techniques on the Bose-Hubbard model, we study the finite temperature properties of ultracold Bose gases in optical lattices. The phase diagrams at finite temperature are depicted by including different types of slave particles and the effect of the finite types of slave particles is estimated. The superfluid density is evaluated using the Landau second order phase transition theory. The atom density, excitation spectrum, and dispersion curve are also computed at various temperatures, and how the Mott-insulator evolves as the temperature increases is demonstrated. For most quantities to be calculated, we find that there are no qualitative differences in using the slave boson or the slave fermion approaches. However, when studying the stability of the mean field state, we find that in contrast to the slave fermion approach, the slave boson mean field state is not stable. Although the slave boson mean field theory gives a qualitatively correct phase boundary, it corresponds to a local maximum of Landau free energy and cannot describe the second order phase transition because the coefficient a{sub 4} of the fourth order term is always negative in the free energy expansion.

  12. Supersymmetry at Finite Temperature Revisited

    NASA Astrophysics Data System (ADS)

    Paranjape, M. B.; Taormina, A.; Wijewardhana, L. C. R.

    1983-05-01

    The authors have formulated supersymmetry at finite temperature, generalizing the recent observations by Van Hove. They find that in a two-dimensional model broken supersymmetry is not restored at high temperature.

  13. TSAAS: finite-element thermal and stress analysis of plane and axisymmetric solids with orthotropic temperature-dependent material properties

    SciTech Connect

    Browning, R.V.; Anderson, C.A.

    1982-02-01

    The finite element method is used to determine the temperatures, displacements, stresses, and strains in axisymmetric solids with orthotropic, temperature-dependent material properties under axisymmetric thermal and mechanical loads. The mechanical loads can be surface pressures, surface shears, and nodal point forces as well as an axial or centripetal acceleration. The continuous solid is replaced by a system of ring elements with triangular or quadrilateral cross sections. Accordingly, the method is valid for solids that are composed of many different materials and that have complex geometry. Nonlinear mechanical behavior as typified by plastic, locking, or creeping materials can be approximated. Two dimensional mesh generation, plotting, and editing features allow the computer program to be readily used. In addition to a stress analysis program that is based on a modified version of the SAAS code, TSAAS can carry out a transient thermal analysis with the finite element mesh used in stress analysis. An implicit time differencing scheme allows the use of arbitrary time steps with consequent fast running times. At specified times, the program will return to SAAS for thermal stress analysis. Nonlinear thermal properties and Arrhenius reaction kinetics are also incorporated into TSAAS. Several versions of TSAAS are in use at Los Alamos, running on CDC-7600, CRAY-1 and VAX 11/780 computers. This report describes the nominal TSAAS; other versions may have some unique features.

  14. Magnetic insulation at finite temperatures

    SciTech Connect

    Goedecke, G. H.; Davis, Brian T.; Chen, Chiping

    2006-08-15

    A finite-temperature non-neutral plasma (FTNNP) theory of magnetically insulated (MI) electron flows in crossed-field vacuum devices is developed and applied in planar geometry. It is shown that, in contrast to the single type of MI flow predicted by traditional cold-plasma treatments, the nonlinear FTNNP equations admit five types of steady flow, of which three types are MI flows, including flows in which the electric field and/or the tangential velocity at the cathode may be zero or nonzero. It is also shown that finite-temperature Vlasov-Poisson treatments yield solutions for electron number densities and electrostatic potentials that are a subset of the FTNNP solutions. The algorithms that are used to solve the FTNNP equations numerically are discussed, and the numerical results are presented for several examples of the three types of MI flow. Results include prediction of the existence, boundaries, number density profiles, and other properties of sheaths of electrons in the anode-cathode gap.

  15. Strings at finite temperature

    SciTech Connect

    Arago C. de; Bazeia, D.; Eboli, O.J.P.; Marques, G.C.

    1985-12-15

    We obtain a semiclassical evaluation of the temperature for which the free energy of the strings of spontaneously broken scalar electrodynamics vanishes. We argue that, above this temperature, these objects should play a significant physical role.

  16. Static and Statistical Properties of Hot Rotating Nuclei in a Macroscopic Temperature-Dependent Finite-Range Model

    SciTech Connect

    Ryabov, E.G.; Adeev, G.D.

    2005-09-01

    A macroscopic temperature-dependent model that takes into account nuclear forces of finite range is used to calculate the static and statistical properties of hot rotating compound nuclei. The level-density parameter is approximated by an expression of the leptodermous type. The resulting expansion coefficients are in good agreement with their counterparts proposed previously by A.V. Ignatyuk and his colleagues. The effect of taking simultaneously into account the temperature of a nucleus and its angular momentum on the quantities under study, such as the heights and positions of fission barriers and the effective moments of inertia of nuclei at the barrier, is considered, and the importance of doing this is demonstrated. The fissility parameter (Z{sup 2}/A){sub crit} and the position of the Businaro-Gallone point are studied versus temperature. It is found that, with increasing temperature, both parameters are shifted to the region of lighter nuclei. It is shown that the inclusion of temperature leads to qualitatively the same effects as the inclusion of the angular momentum of a nucleus, but, quantitatively, thermal excitation leads to smaller effects than rotational excitation.

  17. Finite temperature path integral Monte Carlo simulations of structural and dynamical properties of Ar(N)-CO2 clusters.

    PubMed

    Wang, Lecheng; Xie, Daiqian

    2012-08-21

    We report finite temperature quantum mechanical simulations of structural and dynamical properties of Ar(N)-CO(2) clusters using a path integral Monte Carlo algorithm. The simulations are based on a newly developed analytical Ar-CO(2) interaction potential obtained by fitting ab initio results to an anisotropic two-dimensional Morse/Long-range function. The calculated distributions of argon atoms around the CO(2) molecule in Ar(N)-CO(2) clusters with different sizes are consistent to the previous studies of the configurations of the clusters. A first-order perturbation theory is used to quantitatively predict the CO(2) vibrational frequency shift in different clusters. The first-solvation shell is completed at N = 17. Interestingly, our simulations for larger Ar(N)-CO(2) clusters showed several different structures of the argon shell around the doped CO(2) molecule. The observed two distinct peaks (2338.8 and 2344.5 cm(-1)) in the υ(3) band of CO(2) may be due to the different arrangements of argon atoms around the dopant molecule.

  18. Electroweak relaxation from finite temperature

    NASA Astrophysics Data System (ADS)

    Hardy, Edward

    2015-11-01

    We study theories which naturally select a vacuum with parametrically small Electroweak Scale due to finite temperature effects in the early universe. In particular, there is a scalar with an approximate shift symmetry broken by a technically natural small coupling to the Higgs, and a temperature dependent potential. As the temperature of the universe drops, the scalar follows the minimum of its potential altering the Higgs mass squared parameter. The scalar also has a periodic potential with amplitude proportional to the Higgs expectation value, which traps it in a vacuum with a small Electroweak Scale. The required temperature dependence of the potential can occur through strong coupling effects in a hidden sector that are suppressed at high temperatures. Alternatively, it can be generated perturbatively from a one-loop thermal potential. In both cases, for the scalar to be displaced, a hidden sector must be reheated to temperatures significantly higher than the visible sector. However this does not violate observational constraints provided the hidden sector energy density is transferred to the visible sector without disrupting big bang nucleosynthesis. We also study how the mechanism can be implemented when the visible sector is completed to the Minimal Supersymmetric Standard Model at a high scale. Models with a UV cutoff of 10 TeV and no fields taking values over a range greater than 1012 GeV are possible, although the scalar must have a range of order 108 times the effective decay constant in the periodic part of its potential.

  19. Coulomb gap at finite temperatures

    NASA Astrophysics Data System (ADS)

    Sarvestani, Masoud; Schreiber, Michael; Vojta, Thomas

    1995-08-01

    The Coulomb glass, a model of interacting localized electrons in a random potential, exhibits a soft gap, the Coulomb gap, in the single-particle density of states (DOS) g(ɛ,T) close to the chemical potential μ. In this paper we investigate the Coulomb gap at finite temperatures T by means of a Monte Carlo method. We find that the Coulomb gap fills with increasing temperature. In contrast to previous results the temperature dependence is, however, much stronger than g(μ,T)~TD-1 as predicted analytically. It can be described by power laws with the exponents 1.75+/-0.1 for the two-dimensional model and 2.7+/-0.1 for the three-dimensional model. Nevertheless, the relation g(μ,T)~g(ɛ,T=0) with ||ɛ-μ||=kBT seems to be valid, since energy dependence of the DOS at low temperatures has also been found to follow power laws with these exponents.

  20. Finite volume form factors and correlation functions at finite temperature

    NASA Astrophysics Data System (ADS)

    Pozsgay, Balázs

    2009-07-01

    In this thesis we investigate finite size effects in 1+1 dimensional integrable QFT. In particular we consider matrix elements of local operators (finite volume form factors) and vacuum expectation values and correlation functions at finite temperature. In the first part of the thesis we give a complete description of the finite volume form factors in terms of the infinite volume form factors (solutions of the bootstrap program) and the S-matrix of the theory. The calculations are correct to all orders in the inverse of the volume, only exponentially decaying (residual) finite size effects are neglected. We also consider matrix elements with disconnected pieces and determine the general rule for evaluating such contributions in a finite volume. The analytic results are tested against numerical data obtained by the truncated conformal space approach in the Lee-Yang model and the Ising model in a magnetic field. In a separate section we also evaluate the leading exponential correction (the μ-term) associated to multi-particle energies and matrix elements. In the second part of the thesis we show that finite volume factors can be used to derive a systematic low-temperature expansion for correlation functions at finite temperature. In the case of vacuum expectation values the series is worked out up to the third non-trivial order and a complete agreement with the LeClair-Mussardo formula is observed. A preliminary treatment of the two-point function is also given by considering the first nontrivial contributions.

  1. Nuclear matter properties in the relativistic mean-field theory at finite temperature with interaction between sigma-omega mesons

    SciTech Connect

    Costa, R. S.; Duarte, S. B.; Oliveira, J. C. T.; Chiapparini, M.

    2010-05-21

    We study the nuclear matter properties in the regime of high temperatures using a relativistic mean-field theory. Contrasting with the usual linear Walecka model, we include the sigma-omega meson coupling in order to investigate the role of this interaction in the nucleon effective mass behavior. Some numerical results are presented and discussed.

  2. Anomalies in curved spacetime at finite temperature

    SciTech Connect

    Boschi-Filho, H. Departamento de Fisica e Quimica, Universidade Estadual Paulista, Campus de Guaratingueta, 12500 Guaratingueta, Caixa Postal 205 Sao Paulo ); Natividade, C.P. )

    1992-12-15

    We discuss the problem of the breakdown of conformal and gauge symmetries at finite temperature in curved-spacetime background, when the changes in the background are gradual, in order to have a well-defined quantum field theory at finite temperature. We obtain the expressions for Seeley's coefficients and the heat-kernel expansion in this regime. As applications, we consider the self-interacting [lambda][phi][sup 4] and chiral Schwinger models in curved backgrounds at finite temperature.

  3. Nuclear matter properties in the non-linear Walecka model at finite temperature with interaction between the σ - ω mesons

    SciTech Connect

    Costa, R. S.; Cortes, M. R.; Nunes, D. R.; Batista, A. S. A.

    2014-11-11

    In this work in contrast to the usual Walecka model [1] we include the interaction between the σ – ω mesons [2,3] with the aim of studying the nuclear matter properties in the relativistic mean-field theory in the regime of high temperatures. Therefore in our work we use the non-linear Walecka model. We investigate whether the phase transition characteristic of other models without these interactions vanishes for a given value of chemical potential μ and baryon density ρ{sub N}.

  4. LATTICE QCD AT FINITE TEMPERATURE AND DENSITY.

    SciTech Connect

    BLUM,T.; CREUTZ,M.; PETRECZKY,P.

    2004-02-24

    temperature for three different lattice spacings and performed a continuum extrapolation of T{sub tr} for the first time. Lattice calculations of the meson spectral functions were presented by M. Asakawa, S. Datta, E. Laermann and H. Matsufuru. These show that charmonia ground states ({eta}{sub c} and J/{psi}) continue to exist in the plasma at least up to a temperature of 1.7 T{sub tr}. At what temperature charmonia states cease to exist is not yet clear. Calculations presented by M. Asakawa show dissolution of the J/{psi} at T = 1.7 T{sub tr}, while the analysis presented H. Matsufuru provided evidence that ground state charmonia still exist at this temperature. S. Datta argued that the ground state charmonia is likely to dissolve only for temperatures T > 2.25 T{sub tr}, while the P-states are dissociated at, 1.1 T{sub tr}. It is also very interesting that, even in the case of light quarks, meson spectral functions show a resonance-like structure in the plasma phase (talk by E. Laermann). Finally attempts to calculate transport properties in the Quark Gluon Plasma were presented by S. Gupta. The workshop devoted special attention to the finite temperature modification of inter-quark forces and color screening, another area where considerable progress has been made in recent years (talks by 0. Kaczmarek, K. Petrov, O. Philipsen and F. Zantow). Many other new theoretical developments which cannot be discussed here were also presented on the workshop. Altogether the workshop was a great success, for which we thank all the participants.

  5. Flux tubes at finite temperature

    NASA Astrophysics Data System (ADS)

    Cea, Paolo; Cosmai, Leonardo; Cuteri, Francesca; Papa, Alessandro

    2016-06-01

    The chromoelectric field generated by a static quark-antiquark pair, with its peculiar tube-like shape, can be nicely described, at zero temperature, within the dual superconductor scenario for the QCD confining vacuum. In this work we investigate, by lattice Monte Carlo simulations of the SU (3) pure gauge theory, the fate of chromoelectric flux tubes across the deconfinement transition. We find that, if the distance between the static sources is kept fixed at about 0.76 fm˜eq 1.6/√{σ } and the temperature is increased towards and above the deconfinement temperature T c , the amplitude of the field inside the flux tube gets smaller, while the shape of the flux tube does not vary appreciably across deconfinement. This scenario with flux-tube "evaporation" above T c has no correspondence in ordinary (type-II) superconductivity, where instead the transition to the phase with normal conductivity is characterized by a divergent fattening of flux tubes as the transition temperature is approached from below. We present also some evidence about the existence of flux-tube structures in the magnetic sector of the theory in the deconfined phase.

  6. Local QCD action at finite temperature

    NASA Astrophysics Data System (ADS)

    Cooper, Patrick; Zwanziger, Daniel

    2016-05-01

    In this article, we obtain a local, Becchi-Rouet-Stora-Tyutin-invariant action for QCD at finite temperature, altered from Faddeev-Popov theory due to the presence of Gribov copies. We carefully derive the horizon condition at finite temperature. Only the zero Matsubara mode is affected, and this result is consistent with the suitably modified Maggiore-Schaden shift, which takes into account temporal periodicity. The large-N limit and other calculational schemes for the magnetic mass and gluon condensates and their relation to the Gribov mass are also discussed.

  7. Relativistic Random Phase Approximation At Finite Temperature

    SciTech Connect

    Niu, Y. F.; Paar, N.; Vretenar, D.; Meng, J.

    2009-08-26

    The fully self-consistent finite temperature relativistic random phase approximation (FTRRPA) has been established in the single-nucleon basis of the temperature dependent Dirac-Hartree model (FTDH) based on effective Lagrangian with density dependent meson-nucleon couplings. Illustrative calculations in the FTRRPA framework show the evolution of multipole responses of {sup 132}Sn with temperature. With increased temperature, in both monopole and dipole strength distributions additional transitions appear in the low energy region due to the new opened particle-particle and hole-hole transition channels.

  8. Nonperturbative QED effective action at finite temperature

    SciTech Connect

    Kim, Sang Pyo; Lee, Hyun Kyu; Yoon, Yongsung

    2010-07-15

    We propose a novel method for the effective action of spinor and scalar QED at finite temperature in time-dependent electric fields, where charged pairs evolve in a nonadiabatic way. The imaginary part of the effective action consists of thermal loops of the Fermi-Dirac or Bose-Einstein distribution for the initial thermal ensemble, weighted with factors of the Bogoliubov coefficients for quantum effects. And the real part of the effective action is determined by the mean number of produced pairs and vacuum polarization at zero temperature. In the weak-field limit, the mean number of produced pairs is shown twice the imaginary part. We explicitly find the finite-temperature effective action in a constant electric field.

  9. Bimetallic nanostructures. II. Finite temperature and applications

    NASA Astrophysics Data System (ADS)

    Montejano-Carrizales, J. M.; Morán-López, J. L.

    1990-12-01

    A systematic study of ordering and segregation at finite temperatures in bimetallic nanoclusters is presented. Icosahedral and cubo-octahedral clusters, with a total number of atoms, N = 13, 55 and 147, are studied. The equilibrium configuration is obtained by calculating the free energy within the regular solution model. The theory is applied to CuPd, NiPt and CuNi nanoclusters. We present results for the temperature dependence of the concentrations at the different shells around the central atom. In most of the cases a strong segregation is found.

  10. Finite temperature quantum fields in expanding universes

    NASA Astrophysics Data System (ADS)

    Hu, B. L.

    1982-01-01

    The thermodynamics of an ideal relativistic quantum gas in expansion is studied. It is found that only for conformally invariant fields in conformally static spacetime can thermal equilibrium be strictly maintained. A finite temperature theory can be defined under the condition of quasi equilibrium when the background expansion is nearly adiabatic. The high temperature expansion of the energy density for massive nonconformal fields in Robertson-Walker universes and for conformal fields in Bianchi Type-I universes are calculated. The importance of these results on phase transition and quantum processes in the early universe is discussed.

  11. Finite Temperature Quasicontinuum: Molecular Dynamics without all the Atoms

    SciTech Connect

    Dupuy, L; Tadmor, E B; Miller, R E; Phillips, R

    2005-02-02

    Using a combination of statistical mechanics and finite-element interpolation, the authors develop a coarse-grained (CG) alternative to molecular dynamics (MD) for crystalline solids at constant temperature. The new approach is significantly more efficient than MD and generalizes earlier work on the quasi-continuum method. The method is validated by recovering equilibrium properties of single crystal Ni as a function of temperature. CG dynamical simulations of nanoindentation reveal a strong dependence on temperature of the critical stress to nucleate dislocations under the indenter.

  12. Thermal geometry from CFT at finite temperature

    NASA Astrophysics Data System (ADS)

    Gan, Wen-Cong; Shu, Fu-Wen; Wu, Meng-He

    2016-09-01

    We present how the thermal geometry emerges from CFT at finite temperature by using the truncated entanglement renormalization network, the cMERA. For the case of 2d CFT, the reduced geometry is the BTZ black hole or the thermal AdS as expectation. In order to determine which spacetimes prefer to form, we propose a cMERA description of the Hawking-Page phase transition. Our proposal is in agreement with the picture of the recent proposed surface/state correspondence.

  13. Convexity at finite temperature and non-extensive thermodynamics

    NASA Astrophysics Data System (ADS)

    Alexandre, J.

    2016-09-01

    Assuming that tunnel effect between two degenerate bare minima occurs, in a scalar field theory at finite volume, this article studies the consequences for the effective potential, to all loop orders. Convexity is achieved only if the two bare minima are taken into account in the path integral, and a new derivation of the effective potential is given, in the large volume limit. The effective potential then has a universal form, it is suppressed by the space time volume, and does not feature spontaneous symmetry breaking as long as the volume is finite. The finite temperature analysis leads to surprising thermal properties, following from the non-extensive expression for the free energy. Although the physical relevance of these results is not clear, the potential application to ultra-light scalar particles is discussed.

  14. Envisioning the Infinite by Projecting Finite Properties

    ERIC Educational Resources Information Center

    Ely, Robert

    2011-01-01

    We analyze interviews with 24 post-secondary students as they reason about infinite processes in the context of the tricky Tennis Ball Problem. By metaphorically projecting various properties from the finite states such as counting and indexing, participants envisioned widely varying final states for the infinite process. Depending on which…

  15. Real-Time Finite-Temperature Holography and its Applications

    NASA Astrophysics Data System (ADS)

    Wu, Chaolun

    This dissertation begins with a brief review of basic concepts of holography (AdS/CFT correspondence, Chapter 1). A complete prescription for computing real-time correlators in strongly-coupled conformal field theories at finite-temperature using holography is proposed and checked, and all scalar real-time 3-point correlators of the relativistic conformal field theory are computed at the tree level of dual gravity theory (Chapter 2). The causal 3-point correlators are found to have a simple structure which can be easily generalized to higher n-point correlators and higher spin operators. Then the same prescription is applied to non-relativistic holography (Chapter 3). All scalar real-time 2-point correlators and time-ordered and causal 3-point correlators of finite-temperature Schrödinger field theory are computed there. In the last two chapters, the prescription for relativistic real-time finite-temperature holography and in particular the causal 3-point correlators derived earlier, are used to study various properties of a strongly-coupled plasma, specifically that of N = 4 supersymmetric Yang-Mills field theory. By computing causal energy-stress tensor 3-point correlators analytically in the hydrodynamic regime and matching them with the holographic result, and through the use of newly developed second order Kubo formulae, all five second order transport coefficients of the relativistic conformal hydrodynamics are systematically and consistently computed (Chapter 4). Jet quenching in a strongly-coupled plasma at finite-temperature and finite-chemical potential is also studied by an analytic computation of causal R-current 3-point correlators in large momentum regime. A more detailed and comprehensive picture than previously known emerges (Chapter 5). The dependence of typical jet stopping distance on its initial energy has an exponent 1/4, rather than the 1/3 which was widely known, and the jet quenching is enhanced by introducing a chemical potential to the

  16. Entropic uncertainty relation at finite temperature

    NASA Technical Reports Server (NTRS)

    Abe, Sumiyoshi; Suzuki, Norikazu

    1992-01-01

    We discussed how much information is lost when a particle is in equilibrium with the thermal reservoir of temperature T = 1/beta. The universal temperature correction to the r.h.s. of U(X,P:psi) greater than or = 1 + ln(pi) is determined. For this purpose, it is convenient to employ the framework of thermo-field dynamics (TFD). This formulation of finite-temperature (T not = 0) quantum theory utilizes the doubled Hilbert space, the normal operator (A) acting on the objective space, and its corresponding tildian operator on the fictitious space. The physical probability density associated with the measurement of the normal operator, A, is given, and the information entropy at T not = 0 is defined. The results describe how the thermal disturbance effects in S sub X or S sub P (delta X or delta P) can be suppressed by squeezing with keeping U = S sub X + S sub P (delta X x delta P) its minimum value.

  17. Finite temperature static charge screening in quantum plasmas

    NASA Astrophysics Data System (ADS)

    Eliasson, B.; Akbari-Moghanjoughi, M.

    2016-07-01

    The shielding potential around a test charge is calculated, using the linearized quantum hydrodynamic formulation with the statistical pressure and Bohm potential derived from finite temperature kinetic theory, and the temperature effects on the force between ions is assessed. The derived screening potential covers the full range of electron degeneracy in the equation of state of the plasma electrons. An attractive force between shielded ions in an arbitrary degenerate plasma exists below a critical temperature and density. The effect of the temperature on the screening potential profile qualitatively describes the ion-ion bound interaction strength and length variations. This may be used to investigate physical properties of plasmas and in molecular-dynamics simulations of fermion plasma. It is further shown that the Bohm potential including the kinetic corrections has a profound effect on the Thomson scattering cross section in quantum plasmas with arbitrary degeneracy.

  18. Optimization of finite-size errors in finite-temperature calculations of unordered phases

    NASA Astrophysics Data System (ADS)

    Iyer, Deepak; Srednicki, Mark; Rigol, Marcos

    It is common knowledge that the microcanonical, canonical, and grand canonical ensembles are equivalent in thermodynamically large systems. Here, we study finite-size effects in the latter two ensembles. We show that contrary to naive expectations, finite-size errors are exponentially small in grand canonical ensemble calculations of translationally invariant systems in unordered phases at finite temperature. Open boundary conditions and canonical ensemble calculations suffer from finite-size errors that are only polynomially small in the system size. We further show that finite-size effects are generally smallest in numerical linked cluster expansions. Our conclusions are supported by analytical and numerical analyses of classical and quantum systems.

  19. Potential models and lattice correlators for quarkonia at finite temperature

    SciTech Connect

    Alberico, W. M.; De Pace, A.; Molinari, A.; Beraudo, A.

    2008-01-01

    We update our recent calculation of quarkonium Euclidean correlators at finite temperatures in a potential model by including the effect of zero modes in the lattice spectral functions. These contributions cure most of the previously observed discrepancies with lattice calculations, supporting the use of potential models at finite temperature as an important tool to complement lattice studies.

  20. Two-dimensional finite-element temperature variance analysis

    NASA Technical Reports Server (NTRS)

    Heuser, J. S.

    1972-01-01

    The finite element method is extended to thermal analysis by forming a variance analysis of temperature results so that the sensitivity of predicted temperatures to uncertainties in input variables is determined. The temperature fields within a finite number of elements are described in terms of the temperatures of vertices and the variational principle is used to minimize the integral equation describing thermal potential energy. A computer calculation yields the desired solution matrix of predicted temperatures and provides information about initial thermal parameters and their associated errors. Sample calculations show that all predicted temperatures are most effected by temperature values along fixed boundaries; more accurate specifications of these temperatures reduce errors in thermal calculations.

  1. Holographic zero sound at finite temperature

    NASA Astrophysics Data System (ADS)

    Davison, Richard A.; Starinets, Andrei O.

    2012-01-01

    We use gauge-gravity duality to study the temperature dependence of the zero sound mode and the fundamental matter diffusion mode in the strongly coupled N=4 SU(Nc) supersymmetric Yang-Mills theory with Nf N=2 hypermultiplets in the Nc≫1, Nc≫Nf limit, which is holographically realized via the D3/D7 brane system. In the high density limit μ≫T, three regimes can be identified in the behavior of these modes, analogous to the collisionless quantum, collisionless thermal, and hydrodynamic regimes of a Landau Fermi liquid. The transitions between the three regimes are characterized by the parameters T/μ and (T/μ)2, respectively, and in each of these regimes the modes have a distinctively different temperature and momentum dependence. The collisionless-hydrodynamic transition occurs when the zero sound poles of the density-density correlator in the complex frequency plane collide on the imaginary axis to produce a hydrodynamic diffusion pole. We observe that the properties characteristic of a Landau Fermi-liquid zero sound mode are present in the D3/D7 system despite the atypical T6/μ3 temperature scaling of the specific heat and an apparent lack of a directly identifiable Fermi surface.

  2. Theory of the jamming transition at finite temperature.

    PubMed

    DeGiuli, E; Lerner, E; Wyart, M

    2015-04-28

    A theory for the microscopic structure and the vibrational properties of soft sphere glass at finite temperature is presented. With an effective potential, derived here, the phase diagram and vibrational properties are worked out around the Maxwell critical point at zero temperature T and pressure p. Variational arguments and effective medium theory identically predict a non-trivial temperature scale T(∗) ∼ p((2-a)/(1-a)) with a ≈ 0.17 such that low-energy vibrational properties are hard-sphere like for T ≳ T(∗) and zero-temperature soft-sphere like otherwise. However, due to crossovers in the equation of state relating T, p, and the packing fraction ϕ, these two regimes lead to four regions where scaling behaviors differ when expressed in terms of T and ϕ. Scaling predictions are presented for the mean-squared displacement, characteristic frequency, shear modulus, and characteristic elastic length in all regions of the phase diagram. PMID:25933770

  3. Atomic and electronic structure of germanium clusters at finite temperature using finite difference methods

    SciTech Connect

    Chelikowsky, J.R.; Oeguet, S.; Jing, X.; Wu, K.; Stathopoulos, A.; Saad, Y.

    1996-12-31

    Determining the electronic and structural properties of semiconductor clusters is one of the outstanding problems in materials science. The existence of numerous structures with nearly identical energies makes it very difficult to determine a realistic ground state structure. Moreover, even if an effective procedure can be devised to predict the ground state structure, questions can arise about the relevancy of the structure at finite temperatures. Kinetic effects and non-equilibrium structures may dominate the structural configurations present in clusters created under laboratory conditions. The authors illustrate theoretical techniques for predicting the structure and electronic properties of small germanium clusters. Specifically, they illustrate that the detailed agreement between theoretical and experimental features can be exploited to identify the relevant isomers present under experimental conditions.

  4. Finite-temperature corrections in the dilated chiral quark model

    SciTech Connect

    Kim, Y.; Lee, Hyun Kyu |; Rho, M. |

    1995-03-01

    We calculate the finite-temperature corrections in the dilated chiral quark model using the effective potential formalism. Assuming that the dilaton limit is applicable at some short length scale, we interpret the results to represent the behavior of hadrons in dense and hot matter. We obtain the scaling law, f{sub {pi}}(T)/f{sub {pi}} = m{sub Q}(T)/m{sub Q} {approx_equal} m{sub {sigma}}(T)/m{sub {sigma}}while we argue, using PCAC, that pion mass does not scale within the temperature range involved in our Lagrangian. It is found that the hadron masses and the pion decay constant drop faster with temperature in the dilated chiral quark model than in the conventional linear sigma model that does not take into account the QCD scale anomaly. We attribute the difference in scaling in heat bath to the effect of baryonic medium on thermal properties of the hadrons. Our finding would imply that the AGS experiments (dense and hot matter) and the RHIC experiments (hot and dilute matter) will ``see`` different hadron properties in the hadronization exit phase.

  5. Recent progress in lattice QCD at finite temperature

    SciTech Connect

    Petreczky,P.

    2009-02-01

    I review recent progress in finite temperature lattice calculations,including the study of the nature of the deconfinement transition in QCD, equation of state, screening of static quarks and meson spectral functions.

  6. Reprint of : Single-electron coherence: Finite temperature versus pure dephasing

    NASA Astrophysics Data System (ADS)

    Moskalets, Michael; Haack, Géraldine

    2016-08-01

    We analyze a coherent injection of single electrons on top of the Fermi sea in two situations, at finite-temperature and in the presence of pure dephasing. Both finite-temperature and pure dephasing change the property of the injected quantum states from pure to mixed. However, we show that the temperature-induced mixedness does not alter the coherence properties of these single-electron states. In particular two such mixed states exhibit perfect antibunching while colliding at an electronic wave splitter. This is in striking difference with the dephasing-induced mixedness which suppresses antibunching. On the contrary, a single-particle shot noise is suppressed at finite temperatures but is not affected by pure dephasing. This work therefore extends the investigation of the coherence properties of single-electron states to the case of mixed states and clarifies the difference between different types of mixedness.

  7. Coarse-grained molecular dynamics: Nonlinear finite elements and finite temperature

    SciTech Connect

    Rudd, R E; Broughton, J Q

    2005-05-30

    Coarse-grained molecular dynamics (CGMD) is a technique developed as a concurrent multiscale model that couples conventional molecular dynamics (MD) to a more coarse-grained description of the periphery. The coarse-grained regions are modeled on a mesh in a formulation that generalizes conventional finite element modeling (FEM) of continuum elasticity. CGMD is derived solely from the MD model, however, and has no continuum parameters. As a result, it provides a coupling that is smooth and provides control of errors that arise at the coupling between the atomistic and coarse-grained regions. In this article, we elaborate on the formulation of CGMD, describing in detail how CGMD is applied to anharmonic solids and finite temperature simulations. As tests of CGMD, we present in detail the calculation of the phonon spectra for solid argon and tantalum in 3D, demonstrating how CGMD provides a better description of the elastic waves than that provided by FEM. We also present elastic wave scattering calculations that show the elastic wave scattering is more benign in CGMD than FEM. We also discuss the dependence of scattering on the properties of the mesh. We introduce a rigid approximation to CGMD that eliminates internal relaxation, similar to the Quasicontinuum technique, and compare it to the full CGMD.

  8. THE TWO-LEVEL MODEL AT FINITE-TEMPERATURE

    SciTech Connect

    Goodman, A.L.

    1980-07-01

    The finite-temperature HFB cranking equations are solved for the two-level model. The pair gap, moment of inertia and internal energy are determined as functions of spin and temperature. Thermal excitations and rotations collaborate to destroy the pair correlations. Raising the temperature eliminates the backbending effect and improves the HFB approximation.

  9. Dynamics of a finite temperature Bose gas in atomtronic devices

    NASA Astrophysics Data System (ADS)

    Colussi, Victor; Holland, Murray; Anderson, Dana Z.

    2014-05-01

    We investigate the problem of modeling atomtronic devices that utilize the nonequilibrium dynamics of a finite temperature Bose-condensed gas placed underneath an atom chip to mimic the properties of classical circuit elements. Our model consists of the full dynamics of the condensate and thermal cloud. The thermal cloud is treated semiclassically, in the spirit of the ZNG method (Zaremba, Nikuni and Griffin.) However, we develop a novel procedure to account for collisions between the condensate and thermal cloud which evaluates collision rates directly. We present the results of this model compared to two experiments: the atomtronic battery and transistor [arXiv:1208.3109v2]. Also presented are predictions for more complex circuit elements. This work is funded by the NSF Physics Frontier Center at JILA and by the Air Force Office of Scientific Research.

  10. Sudden change of geometric quantum discord in finite temperature reservoirs

    SciTech Connect

    Hu, Ming-Liang Sun, Jian

    2015-03-15

    We investigate sudden change (SC) behaviors of the distance-based measures of geometric quantum discords (GQDs) for two non-interacting qubits subject to the two-sided and the one-sided thermal reservoirs. We found that the GQDs defined by different distances exhibit different SCs, and thus the SCs are the combined result of the chosen discord measure and the property of a state. We also found that the thermal reservoir may generate states having different orderings related to different GQDs. These inherent differences of the GQDs reveal that they are incompatible in characterizing quantum correlations both quantitatively and qualitatively. - Highlights: • Comparable study of different distance-based geometric quantum discords. • Evolution of the geometric quantum discords in finite temperature reservoirs. • Different geometric quantum discords exhibit distinct sudden changes. • Nonunique states ordering imposed by different geometric quantum discords.

  11. Renormalization group optimized perturbation theory at finite temperatures

    NASA Astrophysics Data System (ADS)

    Kneur, Jean-Loïc; Pinto, Marcus B.

    2015-12-01

    A recently developed variant of the so-called optimized perturbation theory (OPT), making it perturbatively consistent with renormalization group (RG) properties, RGOPT, was shown to drastically improve its convergence for zero temperature theories. Here the RGOPT adapted to finite temperature is illustrated with a detailed evaluation of the two-loop pressure for the thermal scalar λ ϕ4 field theory. We show that already at the simple one-loop level this quantity is exactly scale-invariant by construction and turns out to qualitatively reproduce, with a rather simple procedure, results from more sophisticated resummation methods at two-loop order, such as the two-particle irreducible approach typically. This lowest order also reproduces the exact large-N results of the O (N ) model. Although very close in spirit, our RGOPT method and corresponding results differ drastically from similar variational approaches, such as the screened perturbation theory or its QCD-version, the (resummed) hard thermal loop perturbation theory. The latter approaches exhibit a sensibly degrading scale dependence at higher orders, which we identify as a consequence of missing RG invariance. In contrast RGOPT gives a considerably reduced scale dependence at two-loop level, even for relatively large coupling values √{λ /24 }˜O (1 ), making results much more stable as compared with standard perturbation theory, with expected similar properties for thermal QCD.

  12. Comparison between microscopic methods for finite-temperature Bose gases

    SciTech Connect

    Cockburn, S. P.; Proukakis, N. P.; Negretti, A.; Henkel, C.

    2011-04-15

    We analyze the equilibrium properties of a weakly interacting, trapped quasi-one-dimensional Bose gas at finite temperatures and compare different theoretical approaches. We focus in particular on two stochastic theories: a number-conserving Bogoliubov (NCB) approach and a stochastic Gross-Pitaevskii equation (SGPE) that have been extensively used in numerical simulations. Equilibrium properties like density profiles, correlation functions, and the condensate statistics are compared to predictions based upon a number of alternative theories. We find that due to thermal phase fluctuations, and the corresponding condensate depletion, the NCB approach loses its validity at relatively low temperatures. This can be attributed to the change in the Bogoliubov spectrum, as the condensate gets thermally depleted, and to large fluctuations beyond perturbation theory. Although the two stochastic theories are built on different thermodynamic ensembles (NCB, canonical; SGPE, grand-canonical), they yield the correct condensate statistics in a large Bose-Einstein condensate (BEC) (strong enough particle interactions). For smaller systems, the SGPE results are prone to anomalously large number fluctuations, well known for the grand-canonical, ideal Bose gas. Based on the comparison of the above theories to the modified Popov approach, we propose a simple procedure for approximately extracting the Penrose-Onsager condensate from first- and second-order correlation functions that is both computationally convenient and of potential use to experimentalists. This also clarifies the link between condensate and quasicondensate in the Popov theory of low-dimensional systems.

  13. Finite-temperature phase diagram of ultrathin magnetic films without external fields.

    PubMed

    Pighin, Santiago A; Billoni, Orlando V; Cannas, Sergio A

    2012-11-01

    We analyze the finite-temperature phase diagram of ultrathin magnetic films by introducing a mean-field theory, valid in the low-anisotropy regime, i.e., close to the spin reorientation transition. The theoretical results are compared with Monte Carlo simulations carried out on a microscopic Heisenberg model. Connections between the finite-temperature behavior and the ground-state properties of the system are established. Several properties of the stripe pattern, such as the presence of canted states, the stripe width variation phenomenon, and the associated magnetization profiles, are also analyzed.

  14. The gamma decay of the giant dipole resonance: from zero to finite temperature

    NASA Astrophysics Data System (ADS)

    Bracco, Angela; Camera, Franco

    2016-08-01

    This paper is intended to give a selected and rather brief overview of the work made in the last thirty years to study the properties of the giant dipole resonance focusing in particular on nuclei formed at finite temperatures using heavy ion reactions. The physical problems that are discussed (using examples of particular results) in this paper can be grouped into 3 major topics: (i) the temperature dependence of the GDR width; (ii) the dipole oscillation in reaction dynamics; (iii) the isospin mixing at finite temperature.

  15. Vector mesons at finite temperature and QCD sum rules

    SciTech Connect

    Kwon, Youngshin; Weise, Wolfram; Sasaki, Chihiro

    2010-06-15

    Finite energy sum rules for vector and axial-vector currents are derived in a thermal medium to provide constraints for the spectral behavior of rho and a{sub 1} mesons at nonvanishing temperature and hence to study the tendency toward chiral symmetry restoration. The parity-mixing ansatz for the rho and a{sub 1} spectra, including finite widths, is investigated as a function of temperature. Characteristic differences between vector and axial-vector channels are discussed with regard to the implementation of the chiral-symmetry-breaking scale, 4pi times the pion decay constant, in the sum-rule approach.

  16. Variational Equation for Quantum Number Projection at Finite Temperature

    NASA Astrophysics Data System (ADS)

    Tanabe, Kosai; Nakada, Hitoshi

    2008-04-01

    To describe phase transitions in a finite system at finite temperature, we develop a formalism of the variation-after-projection (VAP) of quantum numbers based on the thermofield dynamics (TFD). We derive a new Bardeen-Cooper-Schrieffer (BCS)-type equation by variating the free energy with approximate entropy without violating Peierls inequality. The solution to the new BCS equation describes the S-shape in the specific heat curve and the superfluid-to-normal phase transition caused by the temperature effect. It simulates the exact quantum Monte Carlo results well.

  17. Time evolution of entanglement in a cavity at finite temperature

    NASA Astrophysics Data System (ADS)

    Figueiredo, E. G.; Linhares, C. A.; Malbouisson, A. P. C.; Malbouisson, J. M. C.

    2016-11-01

    We consider two identical atoms, taken in the harmonic approximation, inside a spherical cavity filled with a field described by an infinite set of oscillators. The atoms are linearly coupled to the field. Using the dressed-state approach and considering the field modes populated with thermal-distribution, we study the effect of temperature on the time evolution of entangled states of the pair of atoms. We particularly analyze the cases of finite and very-large cavities showing that survival and sudden-death of entanglement can happen at finite temperature.

  18. Two characteristic temperatures for a Bose-Einstein condensate of a finite number of particles

    SciTech Connect

    Idziaszek, Z.; Rzazewski, K.

    2003-09-01

    We consider two characteristic temperatures for a Bose-Einstein condensate, which are related to certain properties of the condensate statistics. We calculate them for an ideal gas confined in power-law traps and show that they approach the critical temperature in the limit of large number of particles. The considered characteristic temperatures can be useful in the studies of Bose-Einstein condensates of a finite number of atoms indicating the point of a phase transition.

  19. Equilibrium structure of white dwarfs at finite temperatures

    NASA Astrophysics Data System (ADS)

    Boshkayev, K. A.; Rueda, J. A.; Zhami, B. A.; Kalymova, Zh. A.; Balgymbekov, G. Sh.

    2016-03-01

    Recently, it has been shown by S. M. de Carvalho et al. (2014) that the deviations between the degenerate case and observations were already evident for 0.7-0.8 M⊙ white dwarfs. Such deviations were related to the neglected effects of finite temperatures on the structure of a white dwarf. Therefore, in this work by employing the Chandrasekhar equation of state taking into account the effects of temperature we show how the total pressure of the white dwarf matter depends on the mass density at different temperatures. Afterwards we construct equilibrium configurations of white dwarfs at finite temperatures. We obtain the mass-radius relations of white dwarfs for different temperatures by solving the Tolman-Oppenheimer-Volkoff equation, and compare them with the estimated masses and radii inferred from the Sloan Digital Sky Survey Data Release 4.

  20. Finite temperature effects in Bose-Einstein condensed dark matter halos

    SciTech Connect

    Harko, Tiberiu; Madarassy, Enikö J.M. E-mail: eniko.madarassy@physics.uu.se

    2012-01-01

    Once the critical temperature of a cosmological boson gas is less than the critical temperature, a Bose-Einstein Condensation process can always take place during the cosmic history of the universe. Zero temperature condensed dark matter can be described as a non-relativistic, Newtonian gravitational condensate, whose density and pressure are related by a barotropic equation of state, with barotropic index equal to one. In the present paper we analyze the effects of the finite dark matter temperature on the properties of the dark matter halos. We formulate the basic equations describing the finite temperature condensate, representing a generalized Gross-Pitaevskii equation that takes into account the presence of the thermal cloud. The static condensate and thermal cloud in thermodynamic equilibrium is analyzed in detail, by using the Hartree-Fock-Bogoliubov and Thomas-Fermi approximations. The condensed dark matter and thermal cloud density and mass profiles at finite temperatures are explicitly obtained. Our results show that when the temperature of the condensate and of the thermal cloud are much smaller than the critical Bose-Einstein transition temperature, the zero temperature density and mass profiles give an excellent description of the dark matter halos. However, finite temperature effects may play an important role in the early stages of the cosmological evolution of the dark matter condensates.

  1. Kaon condensation in the linear sigma model at finite density and temperature

    SciTech Connect

    Tran Huu Phat; Nguyen Van Long; Nguyen Tuan Anh; Le Viet Hoa

    2008-11-15

    Basing on the Cornwall-Jackiw-Tomboulis effective action approach we formulate a theoretical formalism for studying kaon condensation in the linear sigma model at finite density and temperature. We derive the renormalized effective potential in the Hartree-Fock approximation, which preserves the Goldstone theorem. This quantity is then used to consider physical properties of kaon matter.

  2. Breaking of a metastable string at finite temperature

    SciTech Connect

    Monin, A.; Voloshin, M. B.

    2008-12-15

    We consider the phase transition of a string with tension {epsilon}{sub 1} to a string with a smaller tension {epsilon}{sub 2} at finite temperature. For sufficiently small temperatures the transition proceeds through thermally catalyzed quantum tunneling, and we calculate in arbitrary number of dimensions the thermal catalysis factor. At {epsilon}{sub 2}=0 the found formula for the decay rate also describes a breakup of a metastable string into two pieces.

  3. Finite temperature and density effects in planar QED

    SciTech Connect

    Gat, G.; Ray, R.

    1995-02-15

    The behavior of finite temperature planar electrodynamics is investigated. The authors calculate the static as well as dynamic characteristic functions using real time formalism. The temperature and density dependence of dielectric and permeability functions, plasmon frequencies, and their relation to the screening length is determined. The radiative correction to the fermion mass is also calculated. The authors also calculate the temperature dependence of the electron (anyon) magnetic moment. Their results for the gyromagnetic ratio go smoothly to the known result at zero temperature, g = 2, in accordance with the general expectation. 18 refs., 5 figs.

  4. Finite difference program for calculating hydride bed wall temperature profiles

    SciTech Connect

    Klein, J.E.

    1992-10-29

    A QuickBASIC finite difference program was written for calculating one dimensional temperature profiles in up to two media with flat, cylindrical, or spherical geometries. The development of the program was motivated by the need to calculate maximum temperature differences across the walls of the Tritium metal hydrides beds for thermal fatigue analysis. The purpose of this report is to document the equations and the computer program used to calculate transient wall temperatures in stainless steel hydride vessels. The development of the computer code was motivated by the need to calculate maximum temperature differences across the walls of the hydrides beds in the Tritium Facility for thermal fatigue analysis.

  5. First principles calculation of finite temperature magnetism in Ni

    NASA Astrophysics Data System (ADS)

    Eisenbach, Markus; Yin, Junqi; Nicholson, Don M.; Li, Ying Wai

    2013-03-01

    We harnesses the computational power of massively parallel computers to calculate finite temperature magnetic properties by combining classical Monte-Carlo calculations with our first principles multiple scattering electronic structure code (LSMS) for constrained magnetic states. Our previous calculations of Fe and Fe3 C [J. Appl. Phys. 109, 07E138 (2011)] only considered fluctuations in the local moment directions. Recent advances, both in the understanding of the Wang-Landau method used in our calculations [Phys. Rev. E 84, 065702(R) (2011)] and more powerful computing resources have enabled us to investigate Ni where the fluctuation in the magnitude of the local magnetic moments is of importance equal to their directional fluctuations. Here we will present our recent results for Ni that axpands our method to an even wider class of 3d element based ferromagnets. This research was sponsored by the Offices of Basic Energy Science (M.E. and D.M.N) and the Office of Advanced Computing Research (J.Y. and Y.W.L) of the US Department of Energy. This research used resources of the Oak Ridge Leadership Computing Facility at Oak Ridge National Laboratory, which is supported by the Office of Science of the Department of Energy under contract DE-AC05-00OR22725.

  6. Ground-state and finite-temperature energetics and topologies of germanium microclusters

    SciTech Connect

    Antonio, G.A.; Feuston, B.P.; Kalia, R.K.; Vashishta, P.

    1988-06-15

    We have investigated the ground-state and finite-temperature properties of Ge microclusters (N = 2 to 14) using molecular dynamics (MD) simulation along with the method of steepest-descent quench (SDQ). The interaction potential adopted is the three-body Stillinger--Weber potential as modified by Ding and Andersen for amorphous Ge. Our results indicate that the experimentally observed greater stability of certain cluster sizes can be explained by the topology and energetics of the clusters at finite temperature rather than by the binding energies of the ground-state structures.

  7. Finite temperature corrections in 2d integrable models

    NASA Astrophysics Data System (ADS)

    Caselle, M.; Hasenbusch, M.

    2002-09-01

    We study the finite size corrections for the magnetization and the internal energy of the 2d Ising model in a magnetic field by using transfer matrix techniques. We compare these corrections with the functional form recently proposed by Delfino and LeClair-Mussardo for the finite temperature behaviour of one-point functions in integrable 2d quantum field theories. We find a perfect agreement between theoretical expectations and numerical results. Assuming the proposed functional form as an input in our analysis we obtain a relevant improvement in the precision of the continuum limit estimates of both quantities.

  8. A note on the pulay force at finite temperatures

    SciTech Connect

    Niklasson, Anders M N

    2008-01-01

    Pulay's original expression for the basis-set dependent adjustment term to the Hellmann-Feynman force in electronic structure theory, which occurs for nonorthogonal local basis-set representations, is based on the idempotency condition of a pure ensemble. At finite electronic temperatures with a fractional occupation of the states, the conventional expression of the Pulay force is therefore no longer valid. Here we derive a simple and computationally efficient expression for a generalized Pulay force, which is suitable for large-scale ab initio simulations at finite electronic temperatures using local nonorthogonal basis-set representations. The generalized Pulay force expression is given in terms of the temperature-dependent density matrix. For the construction of the density matrix, we propose a recursive Fermi operator expansion algorithm that automatically converges to the correct chemical potential.

  9. Zero finite-temperature charge stiffness within the half-filled 1D Hubbard model

    SciTech Connect

    Carmelo, J.M.P.; Gu, Shi-Jian; Sacramento, P.D.

    2013-12-15

    Even though the one-dimensional (1D) Hubbard model is solvable by the Bethe ansatz, at half-filling its finite-temperature T>0 transport properties remain poorly understood. In this paper we combine that solution with symmetry to show that within that prominent T=0 1D insulator the charge stiffness D(T) vanishes for T>0 and finite values of the on-site repulsion U in the thermodynamic limit. This result is exact and clarifies a long-standing open problem. It rules out that at half-filling the model is an ideal conductor in the thermodynamic limit. Whether at finite T and U>0 it is an ideal insulator or a normal resistor remains an open question. That at half-filling the charge stiffness is finite at U=0 and vanishes for U>0 is found to result from a general transition from a conductor to an insulator or resistor occurring at U=U{sub c}=0 for all finite temperatures T>0. (At T=0 such a transition is the quantum metal to Mott–Hubbard-insulator transition.) The interplay of the η-spin SU(2) symmetry with the hidden U(1) symmetry beyond SO(4) is found to play a central role in the unusual finite-temperature charge transport properties of the 1D half-filled Hubbard model. -- Highlights: •The charge stiffness of the half-filled 1D Hubbard model is evaluated. •Its value is controlled by the model symmetry operator algebras. •We find that there is no charge ballistic transport at finite temperatures T>0. •The hidden U(1) symmetry controls the U=0 phase transition for T>0.

  10. Spin-polarised band theory at finite temperatures

    SciTech Connect

    Gyorffy, B.L.; Kollar, J.; Pindor, A.J.; Staunton, J.; Stocks, G.M.; Winter, H.

    1983-01-01

    Starting from a Spin-Density functional description of electrons in a potentially ferromagnetic metal and the notion of temporarily broken ergodicity, a method is derived for performing finite temperature spin-polarized band theory with random local moment orientations. Formally, it is based on the KKR-CPA theory for randomly distributed spin-polarized scattering centers on a regular lattice. It is shown how the theory can lead to finite moments above the transition temperature, T/sub c/, and a Curie-Weiss law. We discuss the results of self-consistent spin-polarized KKR-CPA calculations in the disordered local moment (DLM) state for Fe, Co, Ni, and Cr.

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

    NASA Astrophysics Data System (ADS)

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

    2014-03-01

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

  12. B to D(D*)e{nu}{sub e} transitions at finite temperature in QCD

    SciTech Connect

    Azizi, K.; Er, N.

    2010-05-01

    In this article, we work out the properties of the B, D, and D* mesons as well as the B{yields}D(D*)e{nu}{sub e} decay properties at finite temperature QCD. The behavior of the masses, decay constants and widths of the B, D, and D* mesons in terms of the temperature is studied. The temperature dependency of the form factors responsible for such decays are also obtained. These temperature-dependent form factors are used to investigate the variation of the branching ratios with respect to the temperature. It is shown that the branching ratios do not change up to T/T{sub c}=0.3, however they start to diminish with increasing the temperature after this region and vanish at the critical or deconfinement temperature.

  13. Superhigh moduli and tension-induced phase transition of monolayer gamma-boron at finite temperatures

    PubMed Central

    Zhao, Junhua; Yang, Zhaoyao; Wei, Ning; Kou, Liangzhi

    2016-01-01

    Two dimensional (2D) gamma-boron (γ-B28) thin films have been firstly reported by the experiments of the chemical vapor deposition in the latest study. However, their mechanical properties are still not clear. Here we predict the superhigh moduli (785 ± 42 GPa at 300 K) and the tension-induced phase transition of monolayer γ-B28 along a zigzag direction for large deformations at finite temperatures using molecular dynamics (MD) simulations. The new phase can be kept stable after unloading process at these temperatures. The predicted mechanical properties are reasonable when compared with our results from density functional theory. This study provides physical insights into the origins of the new phase transition of monolayer γ-B28 at finite temperatures. PMID:26979283

  14. QCD nature of dark energy at finite temperature: Cosmological implications

    NASA Astrophysics Data System (ADS)

    Azizi, K.; Katırcı, N.

    2016-05-01

    The Veneziano ghost field has been proposed as an alternative source of dark energy, whose energy density is consistent with the cosmological observations. In this model, the energy density of the QCD ghost field is expressed in terms of QCD degrees of freedom at zero temperature. We extend this model to finite temperature to search the model predictions from late time to early universe. We depict the variations of QCD parameters entering the calculations, dark energy density, equation of state, Hubble and deceleration parameters on temperature from zero to a critical temperature. We compare our results with the observations and theoretical predictions existing at different eras. It is found that this model safely defines the universe from quark condensation up to now and its predictions are not in tension with those of the standard cosmology. The EoS parameter of dark energy is dynamical and evolves from -1/3 in the presence of radiation to -1 at late time. The finite temperature ghost dark energy predictions on the Hubble parameter well fit to those of Λ CDM and observations at late time.

  15. On the fate of the Standard Model at finite temperature

    NASA Astrophysics Data System (ADS)

    Rose, Luigi Delle; Marzo, Carlo; Urbano, Alfredo

    2016-05-01

    In this paper we revisit and update the computation of thermal corrections to the stability of the electroweak vacuum in the Standard Model. At zero temperature, we make use of the full two-loop effective potential, improved by three-loop beta functions with two-loop matching conditions. At finite temperature, we include one-loop thermal corrections together with resummation of daisy diagrams. We solve numerically — both at zero and finite temperature — the bounce equation, thus providing an accurate description of the thermal tunneling. Assuming a maximum temperature in the early Universe of the order of 1018 GeV, we find that the instability bound excludes values of the top mass M t ≳ 173 .6 GeV, with M h ≃ 125 GeV and including uncertainties on the strong coupling. We discuss the validity and temperature-dependence of this bound in the early Universe, with a special focus on the reheating phase after inflation.

  16. Occupation number and fluctuations in the finite-temperature Bose-Hubbard model

    SciTech Connect

    Plimak, L.I.; Fleischhauer, M.; Olsen, M.K.

    2004-07-01

    We study the occupation numbers and number fluctuations of ultracold atoms in deep optical lattices for finite-temperatures within the Bose-Hubbard model. Simple analytical expressions for the mean occupation number and number fluctuations are obtained in the weak-hopping regime using an interpolation between results from different perturbation approaches in the Mott-insulator and superfluid phases. With this approach the magnitude of number fluctuations under a wide range of experimental conditions can be estimated and the properties of the finite-temperature phase diagram can be studied. These analytical results are compared to exact one-dimensional numerical calculations using a finite temperature variant of the density-matrix renormalization group (DMRG) method and found to have a high degree of accuracy. We find very good agreement, also in the crossover 'thermal' region. We also analyze the influence of finite temperature on the behavior of the system in the vicinity of the zero-temperature phase transition, in one, two, and three dimensions.

  17. Finite Element Estimation of Meteorite Structural Properties

    NASA Technical Reports Server (NTRS)

    Hart, Kenneth Arthur

    2015-01-01

    The goal of the project titled Asteroid Threat Assessment at NASA Ames Research Center is to develop risk assessment tools. The expertise in atmospheric entry in the Entry Systems and Technology Division is being used to describe the complex physics of meteor breakup in the atmosphere. The breakup of a meteor is dependent on its structural properties, including homogeneity of the material. The present work describes an 11-week effort in which a literature survey was carried for structural properties of meteoritic material. In addition, the effect of scale on homogeneity isotropy was studied using a Monte Carlo approach in Nastran. The properties were then in a static structural response simulation of an irregularly-shape meteor (138-scale version of Asteroid Itokawa). Finally, an early plan was developed for doctoral research work at Georgia Tech. in the structural failure fragmentation of meteors.

  18. Finite-temperature mechanical instability in disordered lattices.

    PubMed

    Zhang, Leyou; Mao, Xiaoming

    2016-02-01

    Mechanical instability takes different forms in various ordered and disordered systems and little is known about how thermal fluctuations affect different classes of mechanical instabilities. We develop an analytic theory involving renormalization of rigidity and coherent potential approximation that can be used to understand finite-temperature mechanical stabilities in various disordered systems. We use this theory to study two disordered lattices: a randomly diluted triangular lattice and a randomly braced square lattice. These two lattices belong to two different universality classes as they approach mechanical instability at T=0. We show that thermal fluctuations stabilize both lattices. In particular, the triangular lattice displays a critical regime in which the shear modulus scales as G∼T(1/2), whereas the square lattice shows G∼T(2/3). We discuss generic scaling laws for finite-T mechanical instabilities and relate them to experimental systems. PMID:26986291

  19. Quarkonium at finite temperature: towards realistic phenomenology from first principles

    NASA Astrophysics Data System (ADS)

    Burnier, Yannis; Kaczmarek, Olaf; Rothkopf, Alexander

    2015-12-01

    We present the finite temperature spectra of both bottomonium and charmonium, obtained from a consistent lattice QCD based potential picture. Starting point is the complex in-medium potential extracted on full QCD lattices with dynamical u,d and s quarks, generated by the HotQCD collaboration. Using the generalized Gauss law approach, vetted in a previous study on quenched QCD, we fit Re[ V] with a single temperature dependent parameter m D , the Debye screening mass, and confirm the up to now tentative values of Im[ V]. The obtained analytic expression for the complex potential allows us to compute quarkonium spectral functions by solving an appropriate Schrödinger equation. These spectra exhibit thermal widths, which are free from the resolution artifacts that plague direct reconstructions from Euclidean correlators using Bayesian methods. In the present adiabatic setting, we find clear evidence for sequential melting and derive melting temperatures for the different bound states. Quarkonium is gradually weakened by both screening (Re[ V]) and scattering (Im[ V]) effects that in combination lead to a shift of their in-medium spectral features to smaller frequencies, contrary to the mass gain of elementary particles at finite temperature.

  20. Finite-Temperature Free Fermions and the Kardar-Parisi-Zhang Equation at Finite Time

    NASA Astrophysics Data System (ADS)

    Dean, David S.; Le Doussal, Pierre; Majumdar, Satya N.; Schehr, Grégory

    2015-03-01

    We consider the system of N one-dimensional free fermions confined by a harmonic well V (x )=m ω2x2/2 at finite inverse temperature β =1 /T . The average density of fermions ρN(x ,T ) at position x is derived. For N ≫1 and β ˜O (1 /N ) , ρN(x ,T ) is given by a scaling function interpolating between a Gaussian at high temperature, for β ≪1 /N , and the Wigner semicircle law at low temperature, for β ≫N-1 . In the latter regime, we unveil a scaling limit, for β ℏω =b N-1 /3 , where the fluctuations close to the edge of the support, at x ˜±√{2 ℏN /(m ω ) } , are described by a limiting kernel Kbf f(s ,s') that depends continuously on b and is a generalization of the Airy kernel, found in the Gaussian unitary ensemble of random matrices. Remarkably, exactly the same kernel Kbf f(s ,s') arises in the exact solution of the Kardar-Parisi-Zhang equation in 1 +1 dimensions at finite time t , with the correspondence t =b3 .

  1. Conservative properties of finite difference schemes for incompressible flow

    NASA Technical Reports Server (NTRS)

    Morinishi, Youhei

    1995-01-01

    The purpose of this research is to construct accurate finite difference schemes for incompressible unsteady flow simulations such as LES (large-eddy simulation) or DNS (direct numerical simulation). In this report, conservation properties of the continuity, momentum, and kinetic energy equations for incompressible flow are specified as analytical requirements for a proper set of discretized equations. Existing finite difference schemes in staggered grid systems are checked for satisfaction of the requirements. Proper higher order accurate finite difference schemes in a staggered grid system are then proposed. Plane channel flow is simulated using the proposed fourth order accurate finite difference scheme and the results compared with those of the second order accurate Harlow and Welch algorithm.

  2. An improved classical mapping method for homogeneous electron gases at finite temperature

    SciTech Connect

    Liu, Yu; Wu, Jianzhong

    2014-08-14

    We introduce a modified classical mapping method to predict the exchange-correlation free energy and the structure of homogeneous electron gases (HEG) at finite temperature. With the classical map temperature parameterized on the basis of the quantum Monte Carlo simulation data for the correlation energy and exact results at high and low temperature limits, the new theoretical procedure greatly improves the classical mapping method for correlating the energetic properties HEG over a broad range of thermodynamic conditions. Improvement can also be identified in predicting the long-range components of the spin-averaged pair correlation functions.

  3. Towards quantum turbulence in finite temperature Bose-Einstein condensates

    NASA Astrophysics Data System (ADS)

    Lan, Shanquan; Tian, Yu; Zhang, Hongbao

    2016-07-01

    Motivated by the various indications that holographic superfluid is BCS like at the standard quantization but BEC like at the alternative quantization, we have implemented the alternative quantization in the dynamical holographic superfluid for the first time. With this accomplishment, we further initiate the detailed investigation of quantum turbulence in finite temperature BEC by a long time stable numerical simulation of bulk dynamics, which includes the two body decay of vortex number caused by vortex pair annihilation, the onset of superfluid turbulence signaled by Kolmogorov scaling law, and a direct energy cascade demonstrated by injecting energy to the turbulent superfluid. All of these results share the same patterns as the holographic superfluid at the standard quantization, thus suggest that these should be universal features for quantum turbulence at temperatures order of the critical temperature.

  4. Finite temperature quenches of fermions in an optical lattice

    NASA Astrophysics Data System (ADS)

    White, Ian G.; Hulet, Randall G.; Hazzard, Kaden R. A.

    2016-05-01

    Although interaction quenches are known to drive interesting dynamics, most prior work has focused on quenches initiated from states that are well below the system's ordering temperature. Motivated by experiments with ultracold fermions in optical lattices, which currently are outside of this regime, we study interaction quenches in the Fermi-Hubbard model that start from finite-temperature initial states. We show that interesting dynamics occurs even under these conditions. A particularly important scenario is quenching to non-interacting systems, which despite its simplicity has been the focus of recent work as a prototype for integrability and prethermalization. In the limit where the temperature T is much greater than the tunneling t, we find that there is transient growth of short-ranged correlations. However, the steady state created in this case is essentially trivial: it is equivalent to an equilibrium T / t = ∞ state. We find more interesting steady states for large, but finite, T / t . We calculate the associated experimental observables by combining a high- T expansion of the interacting initial state with the exact calculation of the non-interacting dynamics.

  5. Nonlocal microscopic theory of Casimir forces at finite temperature

    SciTech Connect

    Despoja, V.; Marusic, L.

    2011-04-15

    The interaction energy between two metallic slabs in the retarded limit at finite temperature is expressed in terms of surface polariton propagators for separate slabs, avoiding the usual matching procedure, with both diamagnetic and paramagnetic excitations included correctly. This enables appropriate treatment of arbitrary electron density profiles and fully nonlocal electronic response, including both collective and single-particle excitations. The results are verified by performing the nonretarded and long-wavelength (local) limits and showing that they reduce to the previously obtained expressions. Possibilities for practical use of the theory are explored by applying it to calculation of various contributions to the Casimir energy between two silver slabs.

  6. Disentangling the imaginary-time formalism at finite temperature

    SciTech Connect

    Wong, S. M. H.

    2001-07-15

    We rewrite the imaginary-time formalism of finite temperature field theory in a form that all graphs used in calculating physical processes do not have any loops. Any production of a particle from a heat bath which is itself not thermalized or the decay and absorption of a similar particle in the bath is expressed entirely in terms of the sum of particle interaction processes. These are themselves very general in meaning. They can be straightforward interactions or the more subtle and less well-known purely interference processes that do not have a counterpart in the vacuum.

  7. Finite-temperature buckling of an extensible rod

    NASA Astrophysics Data System (ADS)

    Bedi, Deshpreet Singh; Mao, Xiaoming

    2015-12-01

    Thermal fluctuations can play an important role in the buckling of elastic objects at small scales, such as polymers or nanotubes. In this paper, we study the finite-temperature buckling transition of an extensible rod by analyzing fluctuation corrections to the elasticity of the rod. We find that, in both two and three dimensions, thermal fluctuations delay the buckling transition, and near the transition, there is a critical regime in which fluctuations are prominent and make a contribution to the effective force that is of order √{T }. We verify our theoretical prediction of the phase diagram with Monte Carlo simulations.

  8. On finite element implementation and computational techniques for constitutive modeling of high temperature composites

    NASA Technical Reports Server (NTRS)

    Saleeb, A. F.; Chang, T. Y. P.; Wilt, T.; Iskovitz, I.

    1989-01-01

    The research work performed during the past year on finite element implementation and computational techniques pertaining to high temperature composites is outlined. In the present research, two main issues are addressed: efficient geometric modeling of composite structures and expedient numerical integration techniques dealing with constitutive rate equations. In the first issue, mixed finite elements for modeling laminated plates and shells were examined in terms of numerical accuracy, locking property and computational efficiency. Element applications include (currently available) linearly elastic analysis and future extension to material nonlinearity for damage predictions and large deformations. On the material level, various integration methods to integrate nonlinear constitutive rate equations for finite element implementation were studied. These include explicit, implicit and automatic subincrementing schemes. In all cases, examples are included to illustrate the numerical characteristics of various methods that were considered.

  9. Baryon number dissipation at finite temperature in the standard model

    SciTech Connect

    Mottola, E. ); Raby, S. . Dept. of Physics); Starkman, G. . Dept. of Astronomy)

    1990-01-01

    We analyze the phenomenon of baryon number violation at finite temperature in the standard model, and derive the relaxation rate for the baryon density in the high temperature electroweak plasma. The relaxation rate, {gamma} is given in terms of real time correlation functions of the operator E{center dot}B, and is directly proportional to the sphaleron transition rate, {Gamma}: {gamma} {preceq} n{sub f}{Gamma}/T{sup 3}. Hence it is not instanton suppressed, as claimed by Cohen, Dugan and Manohar (CDM). We show explicitly how this result is consistent with the methods of CDM, once it is recognized that a new anomalous commutator is required in their approach. 19 refs., 2 figs.

  10. Isospin mixing at finite temperature in 80Zr

    NASA Astrophysics Data System (ADS)

    Corsi, A.; Bracco, A.; Camera, F.; Crespi, F. C. L.; Giaz, A.; Leoni, S.; Montanari, D.; Nicolini, R.; Vandone, V.; Wieland, O.; Benzoni, G.; Blasi, N.; Brambilla, S.; Million, B.; Kravchuk, V. L.; Cinausero, M.; Degerlier, M.; Gramegna, F.; Marchi, T.; Barlini, S.; Bardelli, L.; Bini, M.; Casini, G.; Nannini, A.; Pasquali, G.; Poggi, G.; Baiocco, G.; Bruno, M.; D'Agostino, M.; Morelli, L.; Vannini, G.; Ciemala, M.; Kmiecik, M.; Maj, A.; Mazurek, K.; Meczynski, W.; Myalski, S.

    2012-09-01

    The degree of isospin mixing in the hot compound nucleus 80Zr has been extracted by statistical-model analysis of the γ-decay spectrum emitted in fusion reactions 40Ca+40Ca at Ebeam = 200 MeV and 37Cl+44Ca at Ebeam = 153 MeV. In the case of 40Ca+40Ca reaction an hindrance of first-step γ-decay is expected because in self-conjugate nuclei the E1 selection rules forbid the decay between states with isospin I=0. The results obtained at finite temperature (T ~ 2 MeV) have been used to extrapolate the degree of mixing at zero temperature

  11. Macroscopic quantum entanglement of a Kondo cloud at finite temperature.

    PubMed

    Lee, S-S B; Park, Jinhong; Sim, H-S

    2015-02-01

    We propose a variational approach for computing the macroscopic entanglement in a many-body mixed state, based on entanglement witness operators, and compute the entanglement of formation (EoF), a mixed-state generalization of the entanglement entropy, in single- and two-channel Kondo systems at finite temperature. The thermal suppression of the EoF obeys power-law scaling at low temperature. The scaling exponent is halved from the single- to the two-channel system, which is attributed, using a bosonization method, to the non-Fermi liquid behavior of a Majorana fermion, a "half" of a complex fermion, emerging in the two-channel system. Moreover, the EoF characterizes the size and power-law tail of the Kondo screening cloud of the single-channel system.

  12. A finite-temperature Hartree-Fock code for shell-model Hamiltonians

    NASA Astrophysics Data System (ADS)

    Bertsch, G. F.; Mehlhaff, J. M.

    2016-10-01

    The codes HFgradZ.py and HFgradT.py find axially symmetric minima of a Hartree-Fock energy functional for a Hamiltonian supplied in a shell model basis. The functional to be minimized is the Hartree-Fock energy for zero-temperature properties or the Hartree-Fock grand potential for finite-temperature properties (thermal energy, entropy). The minimization may be subjected to additional constraints besides axial symmetry and nucleon numbers. A single-particle operator can be used to constrain the minimization by adding it to the single-particle Hamiltonian with a Lagrange multiplier. One can also constrain its expectation value in the zero-temperature code. Also the orbital filling can be constrained in the zero-temperature code, fixing the number of nucleons having given Kπ quantum numbers. This is particularly useful to resolve near-degeneracies among distinct minima.

  13. Energy spectra of finite temperature superfluid helium-4 turbulence

    SciTech Connect

    Kivotides, Demosthenes

    2014-10-15

    A mesoscopic model of finite temperature superfluid helium-4 based on coupled Langevin-Navier-Stokes dynamics is proposed. Drawing upon scaling arguments and available numerical results, a numerical method for designing well resolved, mesoscopic calculations of finite temperature superfluid turbulence is developed. The application of model and numerical method to the problem of fully developed turbulence decay in helium II, indicates that the spectral structure of normal-fluid and superfluid turbulence is significantly more complex than that of turbulence in simple-fluids. Analysis based on a forced flow of helium-4 at 1.3 K, where viscous dissipation in the normal-fluid is compensated by the Lundgren force, indicate three scaling regimes in the normal-fluid, that include the inertial, low wavenumber, Kolmogorov k{sup −5/3} regime, a sub-turbulence, low Reynolds number, fluctuating k{sup −2.2} regime, and an intermediate, viscous k{sup −6} range that connects the two. The k{sup −2.2} regime is due to normal-fluid forcing by superfluid vortices at high wavenumbers. There are also three scaling regimes in the superfluid, that include a k{sup −3} range that corresponds to the growth of superfluid vortex instabilities due to mutual-friction action, and an adjacent, low wavenumber, k{sup −5/3} regime that emerges during the termination of this growth, as superfluid vortices agglomerate between intense normal-fluid vorticity regions, and weakly polarized bundles are formed. There is also evidence of a high wavenumber k{sup −1} range that corresponds to the probing of individual-vortex velocity fields. The Kelvin waves cascade (the main dynamical effect in zero temperature superfluids) appears to be damped at the intervortex space scale.

  14. Radial convection of finite ion temperature, high amplitude plasma blobs

    SciTech Connect

    Wiesenberger, M. Kendl, A.; Madsen, J.

    2014-09-15

    We present results from simulations of seeded blob convection in the scrape-off-layer of magnetically confined fusion plasmas. We consistently incorporate high fluctuation amplitude levels and finite Larmor radius (FLR) effects using a fully nonlinear global gyrofluid model. This is in line with conditions found in tokamak scrape-off-layers (SOL) regions. Varying the ion temperature, the initial blob width, and the initial amplitude, we found an FLR dominated regime where the blob behavior is significantly different from what is predicted by cold-ion models. The transition to this regime is very well described by the ratio of the ion gyroradius to the characteristic gradient scale length of the blob. We compare the global gyrofluid model with a partly linearized local model. For low ion temperatures, we find that simulations of the global model show more coherent blobs with an increased cross-field transport compared to blobs simulated with the local model. The maximal blob amplitude is significantly higher in the global simulations than in the local ones. When the ion temperature is comparable to the electron temperature, global blob simulations show a reduced blob coherence and a decreased cross-field transport in comparison with local blob simulations.

  15. Finite Larmor radius effects on the coupled trapped electron and ion temperature gradient modes

    SciTech Connect

    Sandberg, I.; Isliker, H.; Pavlenko, V. P.

    2007-09-15

    The properties of the coupled trapped electron and toroidal ion temperature gradient modes are investigated using the standard reactive fluid model and taking rigorously into account the effects attributed to the ion polarization drift and to the drifts associated with the lowest-order finite ion Larmor radius effects. In the flat density regime, where the coupling between the modes is relatively weak, the properties of the unstable modes are slightly modified through these effects. For the peak density regions, where the coupling of the modes is rather strong, these second-order drifts determine the spectra of the unstable modes near the marginal conditions.

  16. Aspects of holographic entanglement at finite temperature and chemical potential

    NASA Astrophysics Data System (ADS)

    Kundu, Sandipan; Pedraza, Juan F.

    2016-08-01

    We investigate the behavior of entanglement entropy at finite temperature and chemical potential for strongly coupled large-N gauge theories in d-dimensions ( d ≥ 3) that are dual to Anti-de Sitter-Reissner-Nordstrom geometries in ( d + 1)-dimensions, in the context of gauge-gravity duality. We develop systematic expansions based on the Ryu-Takayanagi prescription that enable us to derive analytic expressions for entanglement entropy and mutual information in different regimes of interest. Consequently, we identify the specific regions of the bulk geometry that contribute most significantly to the entanglement entropy of the boundary theory at different limits. We define a scale, dubbed as the effective temperature, which determines the behavior of entanglement in different regimes. At high effective temperature, entanglement entropy is dominated by the thermodynamic entropy, however, mutual information subtracts out this contribution and measures the actual quantum entanglement. Finally, we study the entanglement/disentanglement transition of mutual information in the presence of chemical potential which shows that the quantum entanglement between two sub-regions decreases with the increase of chemical potential.

  17. Finite Temperature Deconfining Transition in the BRST Formalism

    NASA Astrophysics Data System (ADS)

    Hata, H.; Taniguchi, Y.

    1995-04-01

    We present a toy model study of the high temperature deconfining transition in Yang-Mills theory as a breakdown of the confinement condition proposed y Kugo and Ojima. Our toy model is a kind of topological field theory obtained from the Yang-Mills theory by taking the limit of vanishing gauge coupling constant gYM --> 0, and therefore the gauge field Aμ is constrained to the pure-gauge configuration Aμ = g†partialμg. At zero temperature this model has been known to satisfy the confinement condition of Kugo and Ojima which requires the absence of the massless Nambu-Goldstone-like mode coupled to the BRST-exact color current. In the finite temperature case based on the real-time formalism, our model in 3 + 1 dimensions is reduced, by the Parisi-Sourlas mechanism, the the ``sum'' of chiral models in 1 + 1 dimensions with various boundary conditions of the group element g(t, x) at the ends of the time contour. We analyze the effective potential of the SU(2) model and find that the deconfining transition in fact occurs due to the contribution of the sectors with non-periodic boundary conditions.

  18. Survey propagation at finite temperature: application to a Sourlas code as a toy model

    NASA Astrophysics Data System (ADS)

    Wemmenhove, B.; Kappen, H. J.

    2006-02-01

    In this paper we investigate a finite temperature generalization of survey propagation, by applying it to the problem of finite temperature decoding of a biased finite connectivity Sourlas code for temperatures lower than the Nishimori temperature. We observe that the result is a shift of the location of the dynamical critical channel noise to larger values than the corresponding dynamical transition for belief propagation, as suggested recently by Migliorini and Saad for LDPC codes. We show how the finite temperature 1RSB SP gives accurate results in the regime where competing approaches fail to converge or fail to recover the retrieval state.

  19. Stretching helical nano-springs at finite temperature

    NASA Astrophysics Data System (ADS)

    Wada, H.; Netz, R. R.

    2007-03-01

    Using dynamic simulations and analytic methods, we study the elastic response of a helical filament subject to uniaxial tension over a wide range of bend and twist persistence length. A low-pitch helix at low temperatures exhibits a stretching instability and the force-extension curve consists of a sequence of spikes. At elevated temperature (i.e. small persistence lengths) the helix melts and a pronounced force plateau is obtained in the fixed-extension ensemble. The torque boundary condition significantly affects the resulting elastic properties.

  20. Equation of state and QCD transition at finite temperature

    SciTech Connect

    Bazavov, A; Bhattacharya, T; Cheng, M; Christ, N H; DeTar, C; Ejiri, S; Gottlieb, S; Gupta, R; Heller, U M; Huebner, K; Jung, C; Karsch, F; Laermann, E; Levkova, L; Miao, C; Mawhinney, R D; Petreczky, P; Schmidt, C; Soltz, R A; Soeldner, W; Sugar, R; Toussaint, D; Vranas, P

    2009-03-25

    We calculate the equation of state in 2+1 flavor QCD at finite temperature with physical strange quark mass and almost physical light quark masses using lattices with temporal extent N{sub {tau}} = 8. Calculations have been performed with two different improved staggered fermion actions, the asqtad and p4 actions. Overall, we find good agreement between results obtained with these two O(a{sup 2}) improved staggered fermion discretization schemes. A comparison with earlier calculations on coarser lattices is performed to quantify systematic errors in current studies of the equation of state. We also present results for observables that are sensitive to deconfining and chiral aspects of the QCD transition on N{sub {tau}} = 6 and 8 lattices. We find that deconfinement and chiral symmetry restoration happen in the same narrow temperature interval. In an Appendix we present a simple parametrization of the equation of state that can easily be used in hydrodynamic model calculations. In this parametrization we also incorporated an estimate of current uncertainties in the lattice calculations which arise from cutoff and quark mass effects. We estimate these systematic effects to be about 10 MeV.

  1. Finite-temperature phase transitions in the SU (N ) Hubbard model

    NASA Astrophysics Data System (ADS)

    Yanatori, Hiromasa; Koga, Akihisa

    2016-07-01

    We investigate the SU (N ) Hubbard model for the multicomponent fermionic optical lattice system, combining dynamical mean-field theory with the continuous-time quantum Monte Carlo method. We obtain the finite-temperature phase diagrams with N ≤6 and find that low-temperature properties depend on the parity of the components. The magnetically ordered state competes with the correlated metallic state in the system with an even number of components (N ≥4 ) , yielding the first-order phase transition. It is also clarified that in the odd-component system, the ordered state is realized at relatively lower temperatures and the critical temperature is constant in the strong coupling limit.

  2. Light-front QED1+1 at finite temperature.

    PubMed

    Strauss, S; Beyer, M

    2008-09-01

    We investigate the thermodynamic properties of quantum electrodynamics in 1+1 dimensions. We derive the partition function of the canonical ensemble in discrete light cone quantization and calculate the thermodynamical potential. This central quantity is evaluated for different system sizes and coupling strengths. We investigate the continuum limit and the thermodynamical limit and present basic thermodynamical quantities as a function of temperature for the interacting system. The results are compared to the idealized cases. PMID:18851196

  3. Finite-element technique applied to heat conduction in solids with temperature dependent thermal conductivity

    NASA Technical Reports Server (NTRS)

    Aguirre-Ramirez, G.; Oden, J. T.

    1969-01-01

    Finite element method applied to heat conduction in solids with temperature dependent thermal conductivity, using nonlinear constitutive equation for heat ABCDEFGHIABCDEFGHIABCDEFGHIABCDEFGHIABCDEFGHIABCDEFGHIABCDEFGHIABCDEFGHIABCDEFGHIABCDEFGHIABCDEFGHIABCDEFGH

  4. The ionization length in plasmas with finite temperature ion sources

    NASA Astrophysics Data System (ADS)

    Jelić, N.; Kos, L.; Tskhakaya, D. D.; Duhovnik, J.

    2009-12-01

    The ionization length is an important quantity which up to now has been precisely determined only in plasmas which assume that the ions are born at rest, i.e., in discharges known as "cold ion-source" plasmas. Presented here are the results of our calculations of the ionization lengths in plasmas with an arbitrary ion source temperature. Harrison and Thompson (H&T) [Proc. Phys. Soc. 74, 145 (1959)] found the values of this quantity for the cases of several ion strength potential profiles in the well-known Tonks-Langmuir [Phys. Rev. 34, 876 (1929)] discharge, which is characterized by "cold" ion temperature. This scenario is also known as the "singular" ion-source discharge. The H&T analytic result covers cases of ion sources proportional to exp(βΦ) with Φ the normalized plasma potential and β =0,1,2 values, which correspond to particular physical scenarios. Many years following H&T's work, Bissell and Johnson (B&J) [Phys. Fluids 30, 779 (1987)] developed a model with the so-called "warm" ion-source temperature, i.e., "regular" ion source, under B&J's particular assumption that the ionization strength is proportional to the local electron density. However, it appears that B&J were not interested in determining the ionization length at all. The importance of this quantity to theoretical modeling was recognized by Riemann, who recently answered all the questions of the most advanced up-to-date plasma-sheath boundary theory with cold ions [K.-U. Riemann, Phys. Plasmas 13, 063508 (2006)] but still without the stiff warm ion-source case solution, which is highly resistant to solution via any available analytic method. The present article is an extension of H&T's results obtained for a single point only with ion source temperature Tn=0 to arbitrary finite ion source temperatures. The approach applied in this work is based on the method recently developed by Kos et al. [Phys. Plasmas 16, 093503 (2009)].

  5. Correlations of a quasi-two-dimensional dipolar ultracold gas at finite temperatures

    NASA Astrophysics Data System (ADS)

    Pawłowski, Krzysztof; Bienias, Przemysław; Pfau, Tilman; Rzążewski, Kazimierz

    2013-04-01

    We study a quasi-two-dimensional dipolar gas at finite, but ultralow, temperatures using the classical field approximation. The method, already used for a contact interacting gas, is extended here to samples with a weakly interacting long-range interatomic potential. We present statistical properties of the system for the current experiment with chromium [Müller, Billy, Henn, Kadau, Griesmaier, Jona-Lasinio, Santos, and Pfau, Phys. Rev. APLRAAN1050-294710.1103/PhysRevA.84.053601 84, 053601 (2011)] and compare them with statistics for atoms with larger magnetic dipole moments. Significant enhancement of the third-order correlation function, relevant for the particle losses, is found.

  6. Semivariational approach to QCD at finite temperature and baryon density

    SciTech Connect

    Palumbo, Fabrizio

    2008-07-01

    Recently a new bosonization method has been used to derive, at zero fermion density, an effective action for relativistic field theories whose partition function is dominated by fermionic composites, chiral mesons in the case of QCD. This approach shares two important features with variational methods: the restriction to the subspace of the composites, and the determination of their structure functions by a variational calculation. But unlike standard variational methods it treats excited states on the same footing as the ground state. I show that this bosonization method is an approximation of an exact procedure in which composites are introduced in the presence of fermionic states with the quantum numbers of the constituents (quasiparticles). This procedure consists of an independent Bogoliubov transformation at each time slice. The time-dependent parameters of the transformation are then associated with composite fields. In this way states of nonvanishing fermion (baryon) number (neglected in the bosonization approach) are retained. By the exact procedure I derive an effective action for QCD at finite temperature and baryon density. I test the result on a four-fermion interaction model.

  7. (H2O)20 Water Clusters at Finite Temperatures

    NASA Astrophysics Data System (ADS)

    Parkkinen, P.; Riikonen, S.; Halonen, L.

    2013-10-01

    We have performed an exhaustive study of energetics of (H2O)20 clusters. Our goal is to study the role that various free-energy terms play in this popular model system and see their effects on the distribution of the (H2O)20 clusters and in the infrared spectrum at finite temperatures. In more detail, we have studied the electronic ground-state structure energy and its long-range correlation (dispersion) part, vibrational zero-point corrections, vibrational entropy, and proton configurational entropy. Our results indicate a delicate competition between the energy terms; polyhedral water clusters are destabilized by dispersion interaction, while vibrational terms (zero-point and entropic) together with proton disorder entropy favor them against compact structural motifs, such as the pentagonal edge- or face-sharing prisms. Apart from small water clusters, our results can be used to understand the influence of these energy terms in water/ice systems in general. We have also developed energy expressions as a function of both earlier proposed and novel hydrogen-bond connectivity parameters for prismatic water clusters.

  8. An atomistic J-integral at finite temperature based on Hardy estimates of continuum fields

    NASA Astrophysics Data System (ADS)

    Jones, R. E.; Zimmerman, J. A.; Oswald, J.; Belytschko, T.

    2011-01-01

    In this work we apply a material-frame, kernel-based estimator of continuum fields to atomic data in order to estimate the J-integral for the analysis of an atomically sharp crack at finite temperatures. Instead of the potential energy appropriate for zero temperature calculations, we employ the quasi-harmonic free energy as an estimator of the Helmholtz free energy required by the Eshelby stress in isothermal conditions. We employ the simplest of the quasi-harmonic models, the local harmonic model of LeSar and co-workers, and verify that it is adequate for correction of the zero temperature J-integral expression for various deformation states for our Lennard-Jones test material. We show that this method has the properties of: consistency among the energy, stress and deformation fields; path independence of the contour integrals of the Eshelby stress; and excellent correlation with linear elastic fracture mechanics theory.

  9. Finite temperature spin-dynamics and phase transitions in spin-orbital models

    SciTech Connect

    Chen, C.-C.

    2010-04-29

    We study finite temperature properties of a generic spin-orbital model relevant to transition metal compounds, having coupled quantum Heisenberg-spin and Ising-orbital degrees of freedom. The model system undergoes a phase transition, consistent with that of a 2D Ising model, to an orbitally ordered state at a temperature set by short-range magnetic order. At low temperatures the orbital degrees of freedom freeze-out and the model maps onto a quantum Heisenberg model. The onset of orbital excitations causes a rapid scrambling of the spin spectral weight away from coherent spin-waves, which leads to a sharp increase in uniform magnetic susceptibility just below the phase transition, reminiscent of the observed behavior in the Fe-pnictide materials.

  10. Description of induced nuclear fission with Skyrme energy functionals. II. Finite temperature effects

    NASA Astrophysics Data System (ADS)

    Schunck, N.; Duke, D.; Carr, H.

    2015-03-01

    Understanding the mechanisms of induced nuclear fission for a broad range of neutron energies could help resolve fundamental science issues, such as the formation of elements in the universe, but could have also a large impact on societal applications in energy production or nuclear waste management. The goal of this paper is to set up the foundations of a microscopic theory to study the static aspects of induced fission as a function of the excitation energy of the incident neutron, from thermal to fast neutrons. To account for the high excitation energy of the compound nucleus, we employ a statistical approach based on finite temperature nuclear density functional theory with Skyrme energy densities, which we benchmark on the 239Pu(n ,f ) reaction. We compute the evolution of the least-energy fission pathway across multidimensional potential energy surfaces with up to five collective variables as a function of the nuclear temperature and predict the evolution of both the inner and the outer fission barriers as a function of the excitation energy of the compound nucleus. We show that the coupling to the continuum induced by the finite temperature is negligible in the range of neutron energies relevant for many applications of neutron-induced fission. We prove that the concept of quantum localization introduced recently can be extended to T >0 , and we apply the method to study the interaction energy and total kinetic energy of fission fragments as a function of the temperature for the most probable fission. While large uncertainties in theoretical modeling remain, we conclude that a finite temperature nuclear density functional may provide a useful framework to obtain accurate predictions of fission fragment properties.

  11. K-string tensions at finite temperature and integrable models

    NASA Astrophysics Data System (ADS)

    Caselle, Michele; Giudice, Pietro; Gliozzi, Ferdinando; Grinza, Paolo; Lottini, Stefano

    2007-11-01

    It has recently been pointed out that simple scaling properties of Polyakov correlation functions of gauge systems in the confining phase suggest that the ratios of k-string tensions in the low temperature region is constant up to terms of order T3. Here we argue that, at least in a three-dimensional Bbb Z4 gauge model, the above ratios are constant in the whole confining phase. This result is obtained by combining numerical experiments with known exact results on the mass spectrum of an integrable two-dimensional spin model describing the infrared behaviour of the gauge system near the deconfining transition.

  12. Three-loop hard-thermal-loop perturbation theory thermodynamics at finite temperature and finite baryonic and isospin chemical potential

    NASA Astrophysics Data System (ADS)

    Andersen, Jens O.; Haque, Najmul; Mustafa, Munshi G.; Strickland, Michael

    2016-03-01

    In a previous paper [N. Haque et al., J. High Energy Phys. 05 (2014) 27], we calculated the three-loop thermodynamic potential of QCD at finite temperature T and quark chemical potentials μq using the hard-thermal-loop perturbation theory (HTLpt) reorganization of finite temperature and density QCD. The result allows us to study the thermodynamics of QCD at finite temperature and finite baryon, strangeness, and isospin chemical potentials μB, μS, and μI. We calculate the pressure at nonzero μB and μI with μS=0 , and the energy density, the entropy density, the trace anomaly, and the speed of sound at nonzero μI with μB=μS=0 . The second- and fourth-order isospin susceptibilities are calculated at μB=μS=μI=0 . Our results can be directly compared to lattice QCD without Taylor expansions around μq=0 since QCD has no sign problem at μB=μS=0 and finite isospin chemical potential μI.

  13. Analysis of the Kane-Mele-Kondo lattice at finite temperatures

    NASA Astrophysics Data System (ADS)

    Yoshida, Tsuneya; Peters, Robert; Kawakami, Norio

    Recently, correlation effects on topological insulators are extensively studied because the interplay of topological properties and electron correlations is expected to induce exotic phenomena. A promising candidate for a topological insulator in heavy-fermion systems is ∖mathrmSmB6 where the Kondo effects play an essential role. In this article, we study the Kane-Mele-Kondo lattice at finite temperatures. By using the dynamical mean-field theory, we obtain a temperature vs. interaction phase diagram (a Doniach phase diagram). Furthermore, we have observed an intriguing crossover behavior induced by the interplay of electron correlations and topologically nontrivial properties. In the bulk system, the spin-Hall conductivity which is proportional to the spin Chern number is zero at low temperatures while the conductivity rapidly increases with increasing temperature. Correspondingly, gapless modes are restored by temperature effects at the edge sites, which are destroyed by the Kondo effect at low temperature. This work is partly supported by KAKENHI (No. 25400366, and 15H05855). The numerical calculations were performed at the ISSP in the University of Tokyo and on the SR16000 at YITP in Kyoto University.

  14. Critical properties of dissipative quantum spin systems in finite dimensions

    NASA Astrophysics Data System (ADS)

    Takada, Kabuki; Nishimori, Hidetoshi

    2016-10-01

    We study the critical properties of finite-dimensional dissipative quantum spin systems with uniform ferromagnetic interactions. Starting from the transverse field Ising model coupled to a bath of harmonic oscillators with Ohmic spectral density, we generalize its classical representation to classical spin systems with O(n) symmetry and then take the large-n limit to reduce the system to a spherical model. The exact solution to the resulting spherical model with long-range interactions along the imaginary time axis shows a phase transition with static critical exponents coinciding with those of the conventional short-range spherical model in d+2 dimensions, where d is the spatial dimensionality of the original quantum system. This implies that the dynamical exponent is z = 2. These conclusions are consistent with the results of Monte Carlo simulations and renormalization group calculations for dissipative transverse field Ising and O(n) models in one and two dimensions. The present approach therefore serves as a useful tool for analytically investigating the properties of quantum phase transitions of the dissipative transverse field Ising and other related models. Our method may also offer a platform to study more complex phase transitions in dissipative finite-dimensional quantum spin systems, which have recently received renewed interest in the context of quantum annealing in a noisy environment.

  15. Structural Properties of Finite MoS2 Nanowires

    NASA Astrophysics Data System (ADS)

    Clark, Shaylyn; Salgado, Andres; Fernandez-Seivane, Lucas; Lopez-Lozano, Xochitl

    2015-03-01

    Molybdenum disulfide (MoS2) has been one of the most important catalysts used in refineries worldwide for hydrodesulfurization over the past century. In the last decade, and with the advent of nanotechnology, there has been a special interest in MoS2 nanostructures due to their high potential as novel nanocatalysts. The study of the properties of these systems is of fundamental interest for the experimental design of their catalytic activity and efficiency. In this work, we have performed ab initio density-functional calculations (DFT) to investigate the structural properties of finite MoS2 nanostrutures. All the models here presented were based on newly experimentally observed morphologies in MoS2 industrial catalysts using high-angle annular dark field scanning transmission electron microscopy (HAADF-STEM) images. We simulated STEM images of the theoretical models to compare it with the experimental ones. In contrast with infinite models, the finite models prefer a rippled/twisted structure morphology over the planar or helical ones. The rippled/twisted models appear to be structurally more stable.

  16. Quantitative magneto-optical analysis of the role of finite temperatures on the critical state in YBCO thin films

    NASA Astrophysics Data System (ADS)

    Albrecht, Joachim; Brück, Sebastian; Stahl, Claudia; Ruoß, Stephen

    2016-11-01

    We use quantitative magneto-optical microscopy to investigate the influence of finite temperatures on the critical state of thin YBCO films. In particular, temperature and time dependence of supercurrents in inhomogeneous and anisotropic films are analyzed to extract the role of temperature on the supercurrents themselves and the influence of thermally activated relaxation. We find that inhomogeneities and anisotropies of the current density distribution correspond to a different temperature dependence of local supercurrents. In addition, the thermally activated decay of supercurrents can be used to extract local vortex pinning energies. With these results the modification of vortex pinning introduced by substrate structures is studied. In summary the local investigation of supercurrent densities allows the full description of the vortex pinning landscape with respect to pinning forces and energies in superconducting films with complex properties under the influence of finite temperatures.

  17. Finite-Temperature Entanglement Dynamics in an Anisotropic Two-Qubit Heisenberg Spin Chain

    NASA Astrophysics Data System (ADS)

    Chen, Tao; Shan, Chuanjia; Li, Jinxing; Liu, Tangkun; Huang, Yanxia; Li, Hong

    2010-07-01

    This paper investigates the entanglement dynamics of an anisotropic two-qubit Heisenberg spin chain in the presence of decoherence at finite temperature. The time evolution of the concurrence is studied for different initial Werner states. The influences of initial purity, finite temperature, spontaneous decay and Hamiltonian on the entanglement evolution are analyzed in detail. Our calculations show that the finite temperature restricts the evolution of the entanglement all the time when the Hamiltonian improves it and the spontaneous decay to the reservoirs can produce quantum entanglement with the anisotropy of spin-spin interaction. Finally, the steady-state concurrence which may remain non-zero for low temperature is also given.

  18. Finite-temperature scaling of quantum coherence near criticality in a spin chain

    NASA Astrophysics Data System (ADS)

    Cheng, Weiwen; Zhang, Zhijun; Gong, Longyan; Zhao, Shengmei

    2016-06-01

    We explore quantum coherence, inherited from Wigner-Yanase skew information, to analyze quantum criticality in the anisotropic XY chain model at finite temperature. Based on the exact solutions of the Hamiltonian, the quantum coherence contained in a nearest-neighbor spin pairs reduced density matrix ρ is obtained. The first-order derivative of the quantum coherence is non-analytic around the critical point at sufficient low temperature. The finite-temperature scaling behavior and the universality are verified numerically. In particular, the quantum coherence can also detect the factorization transition in such a model at sufficient low temperature. We also show that quantum coherence contained in distant spin pairs can characterize quantum criticality and factorization phenomena at finite temperature. Our results imply that quantum coherence can serve as an efficient indicator of quantum criticality in such a model and shed considerable light on the relationships between quantum phase transitions and quantum information theory at finite temperature.

  19. Ion acoustic solitons in a plasma with finite temperature drifting ions: Limit on ion drift velocity

    SciTech Connect

    Malik, H.K.; Singh, S.; Dahiya, R.P. )

    1994-05-01

    Propagation of ion acoustic solitons in a plasma consisting of finite temperature drifting ions and nondrifting electrons has been studied. It is shown that in addition to the electron inertia and weak relativistic effects, the ion temperature also modifies the soliton behavior. By including the finite ion temperature, limit for the ion drift velocity [ital u][sub 0] for which the ion acoustic solitons are possible, is obtained. The solitons can exist for [ital v][sub [ital Te

  20. Revisiting the definition of the electronic chemical potential, chemical hardness, and softness at finite temperatures.

    PubMed

    Franco-Pérez, Marco; Gázquez, José L; Ayers, Paul W; Vela, Alberto

    2015-10-21

    We extend the definition of the electronic chemical potential (μe) and chemical hardness (ηe) to finite temperatures by considering a reactive chemical species as a true open system to the exchange of electrons, working exclusively within the framework of the grand canonical ensemble. As in the zero temperature derivation of these descriptors, the response of a chemical reagent to electron-transfer is determined by the response of the (average) electronic energy of the system, and not by intrinsic thermodynamic properties like the chemical potential of the electron-reservoir which is, in general, different from the electronic chemical potential, μe. Although the dependence of the electronic energy on electron number qualitatively resembles the piecewise-continuous straight-line profile for low electronic temperatures (up to ca. 5000 K), the introduction of the temperature as a free variable smoothens this profile, so that derivatives (of all orders) of the average electronic energy with respect to the average electron number exist and can be evaluated analytically. Assuming a three-state ensemble, well-known results for the electronic chemical potential at negative (-I), positive (-A), and zero values of the fractional charge (-(I + A)/2) are recovered. Similarly, in the zero temperature limit, the chemical hardness is formally expressed as a Dirac delta function in the particle number and satisfies the well-known reciprocity relation with the global softness.

  1. Revisiting the definition of the electronic chemical potential, chemical hardness, and softness at finite temperatures

    SciTech Connect

    Franco-Pérez, Marco E-mail: jlgm@xanum.uam.mx; Gázquez, José L. E-mail: jlgm@xanum.uam.mx; Ayers, Paul W.; Vela, Alberto

    2015-10-21

    We extend the definition of the electronic chemical potential (μ{sub e}) and chemical hardness (η{sub e}) to finite temperatures by considering a reactive chemical species as a true open system to the exchange of electrons, working exclusively within the framework of the grand canonical ensemble. As in the zero temperature derivation of these descriptors, the response of a chemical reagent to electron-transfer is determined by the response of the (average) electronic energy of the system, and not by intrinsic thermodynamic properties like the chemical potential of the electron-reservoir which is, in general, different from the electronic chemical potential, μ{sub e}. Although the dependence of the electronic energy on electron number qualitatively resembles the piecewise-continuous straight-line profile for low electronic temperatures (up to ca. 5000 K), the introduction of the temperature as a free variable smoothens this profile, so that derivatives (of all orders) of the average electronic energy with respect to the average electron number exist and can be evaluated analytically. Assuming a three-state ensemble, well-known results for the electronic chemical potential at negative (−I), positive (−A), and zero values of the fractional charge (−(I + A)/2) are recovered. Similarly, in the zero temperature limit, the chemical hardness is formally expressed as a Dirac delta function in the particle number and satisfies the well-known reciprocity relation with the global softness.

  2. Deformation properties with a finite-range simple effective interaction

    NASA Astrophysics Data System (ADS)

    Behera, B.; Viñas, X.; Routray, T. R.; Robledo, L. M.; Centelles, M.; Pattnaik, S. P.

    2016-08-01

    Deformed and spherical even-even nuclei are studied using a finite-range simple effective interaction within the Hartree-Fock-Bogoliubov mean-field approach. Different parameter sets of the interaction, corresponding to different incompressibility, are constructed by varying the exponent γ of the density in the traditional density-dependent term. Ten of the 12 parameters of these interactions are determined from properties of asymmetric nuclear matter and spin-polarized pure neutron matter. The two remaining parameters are fitted to reproduce the experimental binding energies known in 620 even-even nuclei using several variants of the rotational energy correction. The rms deviations for the binding energy depend on the value of γ and the way the rotational energy correction is treated but they can be as low as 1.56 MeV, a value competitive with other renowned effective interactions of Skyrme and Gogny type. Charge radii are compared to the experimental values of 313 even-even nuclei and the rms deviation is again comparable and even superior to the one of popular Skyrme and Gogny forces. Emphasis is given to the deformation properties predicted with these interactions by analyzing the potential energy surfaces for several well deformed nuclei and the fission barriers of some nuclei. Comparison of the results with the experimental information, where available, as well as with the results of the Gogny D1S force, shows satisfactory agreement.

  3. Deconfinement Phase Transition at Finite Temperature in the Dual Ginzburg-Landau Theory

    NASA Astrophysics Data System (ADS)

    Ichie, H.; Suganuma, H.; Toki, H.

    We find deconfinement phase transition into the quark-gluon-plasma at finite temperature and then show a possibility of QGP formation process due to the interaction of color-flux-tubes in dual Ginzburg-Landau (DGL) theory.

  4. REMARKS ON THE MAXIMUM ENTROPY METHOD APPLIED TO FINITE TEMPERATURE LATTICE QCD.

    SciTech Connect

    UMEDA, T.; MATSUFURU, H.

    2005-07-25

    We make remarks on the Maximum Entropy Method (MEM) for studies of the spectral function of hadronic correlators in finite temperature lattice QCD. We discuss the virtues and subtlety of MEM in the cases that one does not have enough number of data points such as at finite temperature. Taking these points into account, we suggest several tests which one should examine to keep the reliability for the results, and also apply them using mock and lattice QCD data.

  5. Mesonic correlation functions at finite temperature and density in the Nambu-Jona-Lasinio model with a Polyakov loop

    SciTech Connect

    Hansen, H.; Alberico, W. M.; Molinari, A.; Nardi, M.; Beraudo, A.

    2007-03-15

    We investigate the properties of scalar and pseudoscalar mesons at finite temperature and quark chemical potential in the framework of the Nambu-Jona-Lasinio (NJL) model coupled to the Polyakov loop (PNJL model) with the aim of taking into account features of both chiral symmetry breaking and deconfinement. The mesonic correlators are obtained by solving the Schwinger-Dyson equation in the RPA approximation with the Hartree (mean field) quark propagator at finite temperature and density. In the phase of broken chiral symmetry, a narrower width for the {sigma} meson is obtained with respect to the NJL case; on the other hand, the pion still behaves as a Goldstone boson. When chiral symmetry is restored, the pion and {sigma} spectral functions tend to merge. The Mott temperature for the pion is also computed.

  6. Infrared features of unquenched finite temperature lattice Landau gauge QCD

    SciTech Connect

    Furui, Sadataka; Nakajima, Hideo

    2007-09-01

    The color diagonal and color antisymmetric ghost propagators slightly above T{sub c} of N{sub f}=2 MILC 24{sup 3}x12 lattices are measured and compared with zero-temperature unquenched N{sub f}=2+1 MILC{sub c} 20{sup 3}x64 and MILC{sub f} 28{sup 3}x96 lattices and zero-temperature quenched 56{sup 4} {beta}=6.4 and 6.45 lattices. The expectation value of the color antisymmetric ghost propagator {phi}{sup c}(q) is zero, but its Binder cumulant, which is consistent with that of N{sub c}{sup 2}-1 dimensional Gaussian distribution below T{sub c}, decreases above T{sub c}. Although the color diagonal ghost propagator is temperature independent, the l{sup 1} norm of the color antisymmetric ghost propagator is temperature dependent. The expectation value of the ghost condensate observed at zero-temperature unquenched configuration is consistent with 0 in T>T{sub c}. We also measure transverse, magnetic, and electric gluon propagator and extract gluon screening masses. The running coupling measured from the product of the gluon dressing function and the ghost dressing function are almost temperature independent, but the effect of A{sup 2} condensate observed at zero temperature is consistent with 0 in T>T{sub c}. The transverse gluon dressing function at low temperature has a peak in the infrared at low temperature, but it becomes flatter at high temperature. The magnetic gluon propagator at high momentum depends on the temperature. These data imply that the magnetic gluon propagator and the color antisymmetric ghost propagator are affected by the presence of dynamical quarks, and there are strong nonperturbative effects through the temperature-dependent color antisymmetric ghost propagator.

  7. From transport to disorder: thermodynamic properties of finite dust clouds.

    PubMed

    Schella, André; Mulsow, Matthias; Melzer, André; Schablinski, Jan; Block, Dietmar

    2013-06-01

    The quantities entropy and diffusion are measured for two- and three-dimensional (3D) dust clusters in the fluid state. Entropy and diffusion are predicted to be closely linked via unstable modes. The method of instantaneous normal modes is applied for various laser-heated clusters to determine these unstable modes and the corresponding diffusive properties. The configurational entropy is measured for 2D and 3D clusters from structural rearrangements. The entropy shows a threshold behavior at a critical temperature for the 2D clusters, allowing us to estimate a configurational melting temperature. Further, the entropic disorder increases for larger clusters. Finally, the predicted relation between entropy and unstable modes has been confirmed from our experiments for 2D systems, whereas 3D systems do not show such a clear correlation.

  8. Magnetized liquid 3He at finite temperature: A variational calculation approach

    NASA Astrophysics Data System (ADS)

    Bordbar, Gholam Hossein; Mohammadi Sabet, Mohammad Taghi

    2016-08-01

    Using the spin-dependent (SD) and spin-independent (SI) correlation functions, we have investigated the properties of liquid 3He in the presence of magnetic field at finite temperature. Our calculations have been done using the variational method based on cluster expansion of the energy functional. Our results show that the low field magnetic susceptibility obeys Curie law at high temperatures. This behavior is in a good agreement with the experimental data as well as the molecular field theory results in which the spin dependency has been introduced in correlation function. Reduced susceptibility as a function of temperature as well as reduced temperature has been also investigated, and again we have seen that the spin-dependent correlation function leads to a good agreement with the experimental data. The Landau parameter, F0a, has been calculated, and for this parameter, a value about ‑ 0.75 has been found in the case of spin-spin correlation. In the case of spin-independent correlation function, this value is about ‑ 0.7. Therefore, inclusion of spin dependency in the correlation function leads to a more compatible value of F0a with experimental data. The magnetization and susceptibility of liquid 3He have also been investigated as a function of magnetic field. Our results show a downward curvature in magnetization of system with spin-dependent correlation for all densities and relevant temperatures. A metamagnetic behavior has been observed as a maximum in susceptibility versus magnetic field, when the spin-spin correlation has been considered. This maximum occurs at 45T ≤ B ≤ 100T for all densities and temperatures. This behavior has not been observed in the case of spin-independent correlation function.

  9. Magnetized liquid 3He at finite temperature: A variational calculation approach

    NASA Astrophysics Data System (ADS)

    Bordbar, Gholam Hossein; Mohammadi Sabet, Mohammad Taghi

    2016-08-01

    Using the spin-dependent (SD) and spin-independent (SI) correlation functions, we have investigated the properties of liquid 3He in the presence of magnetic field at finite temperature. Our calculations have been done using the variational method based on cluster expansion of the energy functional. Our results show that the low field magnetic susceptibility obeys Curie law at high temperatures. This behavior is in a good agreement with the experimental data as well as the molecular field theory results in which the spin dependency has been introduced in correlation function. Reduced susceptibility as a function of temperature as well as reduced temperature has been also investigated, and again we have seen that the spin-dependent correlation function leads to a good agreement with the experimental data. The Landau parameter, F0a, has been calculated, and for this parameter, a value about - 0.75 has been found in the case of spin-spin correlation. In the case of spin-independent correlation function, this value is about - 0.7. Therefore, inclusion of spin dependency in the correlation function leads to a more compatible value of F0a with experimental data. The magnetization and susceptibility of liquid 3He have also been investigated as a function of magnetic field. Our results show a downward curvature in magnetization of system with spin-dependent correlation for all densities and relevant temperatures. A metamagnetic behavior has been observed as a maximum in susceptibility versus magnetic field, when the spin-spin correlation has been considered. This maximum occurs at 45T ≤ B ≤ 100T for all densities and temperatures. This behavior has not been observed in the case of spin-independent correlation function.

  10. [Dynamics of charge transfer along an oligonucleotide at finite temperature].

    PubMed

    Lakhno, V D; Fialko, N S

    2004-01-01

    The quantum-statistical approach was used to describe the charge transfer in nucleotide sequences. The results of numerical modeling for hole transfer in the GTTGGG sequence with background temperature noise are given. It was shown that, since guanine has an oxidation potential lower than thymine, the hole created at the G donor in this sequence passes through the thymine barrier into the guanine triplet (acceptor) at a time of approximately 10 ps at a temperature of 37 degrees C.

  11. How important is thermal expansion for predicting molecular crystal structures and thermochemistry at finite temperatures?

    PubMed

    Heit, Yonaton N; Beran, Gregory J O

    2016-08-01

    Molecular crystals expand appreciably upon heating due to both zero-point and thermal vibrational motion, yet this expansion is often neglected in molecular crystal modeling studies. Here, a quasi-harmonic approximation is coupled with fragment-based hybrid many-body interaction calculations to predict thermal expansion and finite-temperature thermochemical properties in crystalline carbon dioxide, ice Ih, acetic acid and imidazole. Fragment-based second-order Möller-Plesset perturbation theory (MP2) and coupled cluster theory with singles, doubles and perturbative triples [CCSD(T)] predict the thermal expansion and the temperature dependence of the enthalpies, entropies and Gibbs free energies of sublimation in good agreement with experiment. The errors introduced by neglecting thermal expansion in the enthalpy and entropy cancel somewhat in the Gibbs free energy. The resulting ∼ 1-2 kJ mol(-1) errors in the free energy near room temperature are comparable to or smaller than the errors expected from the electronic structure treatment, but they may be sufficiently large to affect free-energy rankings among energetically close polymorphs. PMID:27484373

  12. Effects of impurity doping and finite temperature in titanium dioxide: A First-principles Study

    NASA Astrophysics Data System (ADS)

    Aoki, Yuta; Saito, Susumu

    2012-02-01

    Titanium dioxide (TiO2) is one of the most important materials for application to photocatalysts while it is a highly polymorphic material. Therefore, understanding of its fundamental physical properties is essential for improvements of its photocatalytic properties. From this point of view, we study the effects of nitrogen doping and the thermodynamic stability of various TiO2 phases in the framework of the density-functional theory. We use the supercells with various dopant concentrations to reveal the nitrogen-doping effects on the energetics and the electronic properties [1]. It is found that the nitrogen doping into both rutile and anatase phases significantly reduces the minimum photo-excitation energies. On the other hand, it is suggested that the dopants tend to cluster in the TiO2 lattice. This clustering might cancel the above-mentioned doping effects on the photo-excitation energies. Next, we consider the finite-temperature effects by introducing phonons to investigate the thermodynamic phase stability. We compare the free energies of rutile, anatase, brookite, and TiO2-II phases. We will also discuss the importance of treatment of semicore states in generating Ti pseudopotentials.[4pt] [1] Y. Aoki and S. Saito, J. Phys: Conf. Ser. 302, 012034 (2011) .

  13. Quark number fluctuations at finite temperature and finite chemical potential via the Dyson-Schwinger equation approach

    NASA Astrophysics Data System (ADS)

    Xin, Xian-yin; Qin, Si-xue; Liu, Yu-xin

    2014-10-01

    We investigate the quark number fluctuations up to the fourth order in the matter composed of two light flavor quarks with isospin symmetry and at finite temperature and finite chemical potential using the Dyson-Schwinger equation approach of QCD. In order to solve the quark gap equation, we approximate the dressed quark-gluon vertex with the bare one and adopt both the Maris-Tandy model and the infrared constant (Qin-Chang) model for the dressed gluon propagator. Our results indicate that the second, third, and fourth order fluctuations of net quark number all diverge at the critical endpoint (CEP). Around the CEP, the second order fluctuation possesses obvious pump while the third and fourth order ones exhibit distinct wiggles between positive and negative. For the Maris-Tandy model and the Qin-Chang model, we give the pseudocritical temperature at zero quark chemical potential as Tc=146 MeV and 150 MeV, and locate the CEP at (μEq,TE)=(120,124) MeV and (124,129) MeV, respectively. In addition, our results manifest that the fluctuations are insensitive to the details of the model, but the location of the CEP shifts to low chemical potential and high temperature as the confinement length scale increases.

  14. Analysis of microwave heating of materials with temperature-dependent properties

    SciTech Connect

    Ayappa, K.G.; Davis, H.T. ); Davis, E.A.; Gordon, J. )

    1991-03-01

    In this paper transient temperature profiles in multilayer slabs are predicted, by simultaneously solving Maxwell's equations with the heat conduction equation, using Galerkin-finite elements. It is assumed that the medium is homogeneous and has temperature-dependent dielectric and thermal properties. The method is illustrated with applications involving the heating of food and polymers with microwaves. The temperature dependence of dielectric properties affects the heating appreciably, as is shown by comparison with a constant property model.

  15. Decay of a Yukawa fermion at finite temperature and applications to leptogenesis

    SciTech Connect

    Kiessig, Clemens P.; Pluemacher, Michael; Thoma, Markus H.

    2010-08-01

    We calculate the decay rate of a Yukawa fermion in a thermal bath using finite-temperature cutting rules and effective Green's functions according to the hard thermal loop resummation technique. We apply this result to the decay of a heavy Majorana neutrino in leptogenesis. Compared to the usual approach where thermal masses are inserted into the kinematics of final states, we find that deviations arise through two different leptonic dispersion relations. The decay rate differs from the usual approach by more than 1 order of magnitude in the temperature range which is interesting for the weak washout regime. We discuss how to arrive at consistent finite-temperature treatments of leptogenesis.

  16. Finite-temperature conductivity and magnetoconductivity of topological insulators.

    PubMed

    Lu, Hai-Zhou; Shen, Shun-Qing

    2014-04-11

    The electronic transport experiments on topological insulators exhibit a dilemma. A negative cusp in magnetoconductivity is widely believed as a quantum transport signature of the topological surface states, which are immune from localization and exhibit the weak antilocalization. However, the measured conductivity drops logarithmically when lowering temperature, showing a typical feature of the weak localization as in ordinary disordered metals. Here, we present a conductivity formula for massless and massive Dirac fermions as a function of magnetic field and temperature, by taking into account the electron-electron interaction and quantum interference simultaneously. The formula reconciles the dilemma by explicitly clarifying that the temperature dependence of the conductivity is dominated by the interaction, while the magnetoconductivity is mainly contributed by the quantum interference. The theory paves the road to quantitatively study the transport in topological insulators, and can be extended to other two-dimensional Dirac-like systems, such as graphene, transition metal dichalcogenides, and silicene.

  17. Breakdown of nonlinear elasticity in amorphous solids at finite temperatures

    NASA Astrophysics Data System (ADS)

    Procaccia, Itamar; Rainone, Corrado; Shor, Carmel A. B. Z.; Singh, Murari

    2016-06-01

    It is known [H. G. E. Hentschel et al., Phys. Rev. E 83, 061101 (2011), 10.1103/PhysRevE.83.061101] that amorphous solids at zero temperature do not possess a nonlinear elasticity theory: besides the shear modulus, which exists, none of the higher order coefficients exist in the thermodynamic limit. Here we show that the same phenomenon persists up to temperatures comparable to that of the glass transition. The zero-temperature mechanism due to the prevalence of dangerous plastic modes of the Hessian matrix is replaced by anomalous stress fluctuations that lead to the divergence of the variances of the higher order elastic coefficients. The conclusion is that in amorphous solids elasticity can never be decoupled from plasticity: the nonlinear response is very substantially plastic.

  18. Finite-temperature magnetism of FeRh compounds

    NASA Astrophysics Data System (ADS)

    Polesya, S.; Mankovsky, S.; Ködderitzsch, D.; Minár, J.; Ebert, H.

    2016-01-01

    The temperature dependent stability of the magnetic phases of FeRh were investigated by means of total energy calculations with magnetic disorder treated within the uncompensated disordered local moment approach. In addition, Monte Carlo simulations based on the extended Heisenberg model have been performed, using exchange coupling parameters obtained from first principles. The crucial role and interplay of two factors in the metamagnetic transition in FeRh has been revealed, namely the dependence of the Fe-Fe exchange coupling parameters on the temperature-governed degree of magnetic disorder in the system and the stabilizing nature of the induced magnetic moment on Rh-sites. An important observation is the temperature dependence of these two competing factors.

  19. Isospin Mixing in 80Zr: From Finite to Zero Temperature

    NASA Astrophysics Data System (ADS)

    Ceruti, S.; Camera, F.; Bracco, A.; Avigo, R.; Benzoni, G.; Blasi, N.; Bocchi, G.; Bottoni, S.; Brambilla, S.; Crespi, F. C. L.; Giaz, A.; Leoni, S.; Mentana, A.; Million, B.; Morales, A. I.; Nicolini, R.; Pellegri, L.; Pullia, A.; Riboldi, S.; Wieland, O.; Birkenbach, B.; Bazzacco, D.; Ciemala, M.; Désesquelles, P.; Eberth, J.; Farnea, E.; Görgen, A.; Gottardo, A.; Hess, H.; Judson, D. S.; Jungclaus, A.; Kmiecik, M.; Korten, W.; Maj, A.; Menegazzo, R.; Mengoni, D.; Michelagnoli, C.; Modamio, V.; Montanari, D.; Myalski, S.; Napoli, D.; Quintana, B.; Reiter, P.; Recchia, F.; Rosso, D.; Sahin, E.; Salsac, M. D.; Söderström, P.-A.; Stezowski, O.; Theisen, Ch.; Ur, C.; Valiente-Dobón, J. J.; Zieblinski, M.

    2015-11-01

    The isospin mixing was deduced in the compound nucleus 80Zr at an excitation energy of E*=54 MeV from the γ decay of the giant dipole resonance. The reaction 40Ca + 40Ca at Ebeam=136 MeV was used to form the compound nucleus in the isospin I =0 channel, while the reaction 37Cl + 44Ca at Ebeam=95 MeV was used as the reference reaction. The γ rays were detected with the AGATA demonstrator array coupled with LaBr3 :Ce detectors. The temperature dependence of the isospin mixing was obtained and the zero-temperature value deduced. The isospin-symmetry-breaking correction δC used for the Fermi superallowed transitions was extracted and found to be consistent with β -decay data.

  20. Ab-initio structural search in solid oxygen at high pressure: from zero to finite temperature

    NASA Astrophysics Data System (ADS)

    Cogollo-Olivo, B. H.; Montoya, J. A.

    2016-08-01

    The crystal structure of solid oxygen in the terapascal (TPa) regime has been investigated with Density Functional Theory and the Random Search algorithm at zero temperature. We also considered the effect of the entropy at finite temperatures using the QuasiHarmonic Approximation, and we found that the regime of stability of solid oxygen differs strongly from the results predicted at zero temperature. Finally, we provide some insights of oxygen as a chalcogen element.

  1. Importance of finite-temperature exchange correlation for warm dense matter calculations.

    PubMed

    Karasiev, Valentin V; Calderín, Lázaro; Trickey, S B

    2016-06-01

    The effects of an explicit temperature dependence in the exchange correlation (XC) free-energy functional upon calculated properties of matter in the warm dense regime are investigated. The comparison is between the Karasiev-Sjostrom-Dufty-Trickey (KSDT) finite-temperature local-density approximation (TLDA) XC functional [Karasiev et al., Phys. Rev. Lett. 112, 076403 (2014)PRLTAO0031-900710.1103/PhysRevLett.112.076403] parametrized from restricted path-integral Monte Carlo data on the homogeneous electron gas (HEG) and the conventional Monte Carlo parametrization ground-state LDA XC [Perdew-Zunger (PZ)] functional evaluated with T-dependent densities. Both Kohn-Sham (KS) and orbital-free density-functional theories are used, depending upon computational resource demands. Compared to the PZ functional, the KSDT functional generally lowers the dc electrical conductivity of low-density Al, yielding improved agreement with experiment. The greatest lowering is about 15% for T=15 kK. Correspondingly, the KS band structure of low-density fcc Al from the KSDT functional exhibits a clear increase in interband separation above the Fermi level compared to the PZ bands. In some density-temperature regimes, the deuterium equations of state obtained from the two XC functionals exhibit pressure differences as large as 4% and a 6% range of differences. However, the hydrogen principal Hugoniot is insensitive to the explicit XC T dependence because of cancellation between the energy and pressure-volume work difference terms in the Rankine-Hugoniot equation. Finally, the temperature at which the HEG becomes unstable is T≥7200 K for the T-dependent XC, a result that the ground-state XC underestimates by about 1000 K.

  2. Importance of finite-temperature exchange correlation for warm dense matter calculations

    NASA Astrophysics Data System (ADS)

    Karasiev, Valentin V.; Calderín, Lázaro; Trickey, S. B.

    2016-06-01

    The effects of an explicit temperature dependence in the exchange correlation (XC) free-energy functional upon calculated properties of matter in the warm dense regime are investigated. The comparison is between the Karasiev-Sjostrom-Dufty-Trickey (KSDT) finite-temperature local-density approximation (TLDA) XC functional [Karasiev et al., Phys. Rev. Lett. 112, 076403 (2014), 10.1103/PhysRevLett.112.076403] parametrized from restricted path-integral Monte Carlo data on the homogeneous electron gas (HEG) and the conventional Monte Carlo parametrization ground-state LDA XC [Perdew-Zunger (PZ)] functional evaluated with T -dependent densities. Both Kohn-Sham (KS) and orbital-free density-functional theories are used, depending upon computational resource demands. Compared to the PZ functional, the KSDT functional generally lowers the dc electrical conductivity of low-density Al, yielding improved agreement with experiment. The greatest lowering is about 15% for T =15 kK. Correspondingly, the KS band structure of low-density fcc Al from the KSDT functional exhibits a clear increase in interband separation above the Fermi level compared to the PZ bands. In some density-temperature regimes, the deuterium equations of state obtained from the two XC functionals exhibit pressure differences as large as 4% and a 6% range of differences. However, the hydrogen principal Hugoniot is insensitive to the explicit XC T dependence because of cancellation between the energy and pressure-volume work difference terms in the Rankine-Hugoniot equation. Finally, the temperature at which the HEG becomes unstable is T ≥7200 K for the T -dependent XC, a result that the ground-state XC underestimates by about 1000 K.

  3. Importance of finite-temperature exchange correlation for warm dense matter calculations.

    PubMed

    Karasiev, Valentin V; Calderín, Lázaro; Trickey, S B

    2016-06-01

    The effects of an explicit temperature dependence in the exchange correlation (XC) free-energy functional upon calculated properties of matter in the warm dense regime are investigated. The comparison is between the Karasiev-Sjostrom-Dufty-Trickey (KSDT) finite-temperature local-density approximation (TLDA) XC functional [Karasiev et al., Phys. Rev. Lett. 112, 076403 (2014)PRLTAO0031-900710.1103/PhysRevLett.112.076403] parametrized from restricted path-integral Monte Carlo data on the homogeneous electron gas (HEG) and the conventional Monte Carlo parametrization ground-state LDA XC [Perdew-Zunger (PZ)] functional evaluated with T-dependent densities. Both Kohn-Sham (KS) and orbital-free density-functional theories are used, depending upon computational resource demands. Compared to the PZ functional, the KSDT functional generally lowers the dc electrical conductivity of low-density Al, yielding improved agreement with experiment. The greatest lowering is about 15% for T=15 kK. Correspondingly, the KS band structure of low-density fcc Al from the KSDT functional exhibits a clear increase in interband separation above the Fermi level compared to the PZ bands. In some density-temperature regimes, the deuterium equations of state obtained from the two XC functionals exhibit pressure differences as large as 4% and a 6% range of differences. However, the hydrogen principal Hugoniot is insensitive to the explicit XC T dependence because of cancellation between the energy and pressure-volume work difference terms in the Rankine-Hugoniot equation. Finally, the temperature at which the HEG becomes unstable is T≥7200 K for the T-dependent XC, a result that the ground-state XC underestimates by about 1000 K. PMID:27415377

  4. Single-bubble sonoluminescence as Dicke superradiance at finite temperature

    NASA Astrophysics Data System (ADS)

    Aparicio Alcalde, M.; Quevedo, H.; Svaiter, N. F.

    2014-12-01

    Sonoluminescence is a process in which a strong sound field is used to produce light in liquids. We explain sonoluminescence as a phase transition from ordinary fluorescence to a superradiant phase. We consider a spin-boson model composed of a single bosonic mode and an ensemble of N identical two-level atoms. We assume that the whole system is in thermal equilibrium with a reservoir at temperature β-1. We show that, in a ultrastrong-coupling regime, between the two-level atoms and the electromagnetic field it is possible to have a cooperative interaction of the molecules of the gas in the interior of the bubble with the field, generating sonoluminescence.

  5. Finite-temperature fluid-insulator transition of strongly interacting 1D disordered bosons.

    PubMed

    Michal, Vincent P; Aleiner, Igor L; Altshuler, Boris L; Shlyapnikov, Georgy V

    2016-08-01

    We consider the many-body localization-delocalization transition for strongly interacting one-dimensional disordered bosons and construct the full picture of finite temperature behavior of this system. This picture shows two insulator-fluid transitions at any finite temperature when varying the interaction strength. At weak interactions, an increase in the interaction strength leads to insulator [Formula: see text] fluid transition, and, for large interactions, there is a reentrance to the insulator regime. It is feasible to experimentally verify these predictions by tuning the interaction strength with the use of Feshbach or confinement-induced resonances, for example, in (7)Li or (39)K. PMID:27436894

  6. Spin transport in the XXZ chain at finite temperature and momentum.

    PubMed

    Steinigeweg, Robin; Brenig, Wolfram

    2011-12-16

    We investigate the role of momentum for the transport of magnetization in the spin-1/2 Heisenberg chain above the isotropic point at finite temperature and momentum. Using numerical and analytical approaches, we analyze the autocorrelations of density and current and observe a finite region of the Brillouin zone with diffusive dynamics below a cutoff momentum, and a diffusion constant independent of momentum and time, which scales inversely with anisotropy. Lowering the temperature over a wide range, starting from infinity, the diffusion constant is found to increase strongly while the cutoff momentum for diffusion decreases. Above the cutoff momentum diffusion breaks down completely.

  7. A Riemann-Hilbert formulation for the finite temperature Hubbard model

    NASA Astrophysics Data System (ADS)

    Cavaglià, Andrea; Cornagliotto, Martina; Mattelliano, Massimo; Tateo, Roberto

    2015-06-01

    Inspired by recent results in the context of AdS/CFT integrability, we reconsider the Thermodynamic Bethe Ansatz equations describing the 1D fermionic Hubbard model at finite temperature. We prove that the infinite set of TBA equations are equivalent to a simple nonlinear Riemann-Hilbert problem for a finite number of unknown functions. The latter can be transformed into a set of three coupled nonlinear integral equations defined over a finite support, which can be easily solved numerically. We discuss the emergence of an exact Bethe Ansatz and the link between the TBA approach and the results by Jüttner, Klümper and Suzuki based on the Quantum Transfer Matrix method. We also comment on the analytic continuation mechanism leading to excited states and on the mirror equations describing the finite-size Hubbard model with twisted boundary conditions.

  8. Evaluation of Temperature and Stress Distribution on 2 Different Post Systems Using 3-Dimensional Finite Element Analysis

    PubMed Central

    Değer, Yalçın; Adigüzel, Özkan; Özer, Senem Yiğit; Kaya, Sadullah; Polat, Zelal Seyfioğlu; Bozyel, Bejna

    2015-01-01

    Background The mouth is exposed to thermal irritation from hot and cold food and drinks. Thermal changes in the oral cavity produce expansions and contractions in tooth structures and restorative materials. The aim of this study was to investigate the effect of temperature and stress distribution on 2 different post systems using the 3-dimensional (3D) finite element method. Material/Methods The 3D finite element model shows a labio-lingual cross-sectional view of the endodontically treated upper right central incisor and supporting periodontal ligament with bone structures. Stainless steel and glass fiber post systems with different physical and thermal properties were modelled in the tooth restored with composite core and ceramic crown. We placed 100 N static vertical occlusal loading onto the center of the incisal surface of the tooth. Thermal loads of 0°C and 65°C were applied on the model for 5 s. Temperature and thermal stresses were determined on the labio-lingual section of the model at 6 different points. Results The distribution of stress, including thermal stress values, was calculated using 3D finite element analysis. The stainless steel post system produced more temperature and thermal stresses on the restorative materials, tooth structures, and posts than did the glass fiber reinforced composite posts. Conclusions Thermal changes generated stresses in the restorative materials, tooth, and supporting structures. PMID:26615495

  9. Finite element study of plate buckling induced by spatial temperature gradients

    SciTech Connect

    Thornton, E.A.; Kolenski, J.D.; Marino, R.P.

    1993-01-01

    Finite element analyses of thermal buckling of thin metallic plates with prescribed spatial temperature distributions are described. Thermally induced compressive membrane stresses and transverse plate displacement imperfections initiate plates buckling. A finite element formulation based on von Karman plate theory is presented. The resulting nonlinear equations are solved for incremental temperature increases by Newton-Raphson iteration. The computational method is used to investigate the buckling response of rectangular plates with steady and unsteady spatially varying temperature distributions. The role of initial plate imperfections and temperature distributions on the nonlinear response of plate displacements and stresses is described. The relatively high levels of stress induced by spatial temperature gradients should be considered carefully in the postbuckling design of panels for aerospace vehicles subjected to combined mechanical and thermal loads. 31 refs.

  10. N=1 Wess-Zumino model in d=3 at zero and finite temperature

    SciTech Connect

    Synatschke, Franziska; Braun, Jens; Wipf, Andreas

    2010-06-15

    Supersymmetric renormalization group flow equations for the effective superpotential of the three-dimensional Wess-Zumino model are derived at zero and non-zero temperature. This model with fermions and bosons interacting via a Yukawa term possesses a supersymmetric analogue of the Wilson-Fisher fixed-point. At zero temperature we determine the phase-transition line in coupling-constant space separating the supersymmetric from the nonsupersymmetric phase. At finite temperature we encounter dimensional reduction from 3 to 2 dimensions in the infrared regime. We determine the finite-temperature phase diagram for the restoration of the global Z{sub 2}-symmetry and show that for temperatures above the Z{sub 2} phase transition the pressure obeys the Stefan-Boltzmann law of a gas of massless bosons in 2+1 dimensions.

  11. Finite versus zero-temperature hysteretic behavior of spin glasses: Experiment and theory

    NASA Astrophysics Data System (ADS)

    Katzgraber, Helmut G.; Hérisson, Didier; Östh, Michael; Nordblad, Per; Ito, Atsuko; Katori, Hiroko Aruga

    2007-09-01

    We present experimental results attempting to fingerprint nonanalyticities in the magnetization curves of spin glasses found by Katzgraber [Phys. Rev. Lett. 89, 257202 (2002)] via zero-temperature Monte Carlo simulations of the Edwards-Anderson Ising spin glass. Our results show that the singularities at zero temperature due to the reversal-field memory effect are washed out by the finite temperatures of the experiments. The data are analyzed via the first order reversal curve (FORC) magnetic fingerprinting method. The experimental results are supported by Monte Carlo simulations of the Edwards-Anderson Ising spin glass at finite temperatures which agree qualitatively very well with the experimental results. This suggests that the hysteretic behavior of real Ising spin-glass materials is well described by the Edwards-Anderson Ising spin glass. Furthermore, reversal-field memory is a purely zero-temperature effect.

  12. Dissipative soliton protocols in semiconductor microcavities at finite temperatures

    NASA Astrophysics Data System (ADS)

    Karpov, D. V.; Savenko, I. G.; Flayac, H.; Rosanov, N. N.

    2015-08-01

    We consider exciton polaritons in a semiconductor microcavity with a saturable absorber in the growth direction of the heterostructure. This feature promotes additional nonlinear losses of the system with the emergence of bistability of the condensate particles number on the nonresonant (electrical or optical) excitation intensity. Furthermore, we demonstrate a new type of bright spatial dissipative exciton-polariton soliton which emerges in the equilibrium between the regions with different particle density. We develop protocols of soliton creation and destruction. The switch to a solitonlike behavior occurs if the cavity is exposed by a short strong laser pulse with certain energy and duration. We estimate the characteristic times of soliton switch on and off and the time of return to the initial cycle. In particular, we demonstrate surprising narrowing of the spatial profile of the soliton and its vanishing at certain temperature due to interaction of the system with the thermal bath of acoustic phonons. We also address the role of polariton-polariton interaction (Kerr-like nonlinearity) on formation of dissipative solitons and show that the soliton may exist both in its presence and its absence.

  13. Asymmetry of the dimension-two gluon condensate: The finite temperature case

    SciTech Connect

    Vercauteren, David; Verschelde, Henri

    2010-10-15

    In this paper, we continue the work begun in a previous article. We compute, in the formalism of local composite operators, the value of the asymmetry in the dimension two condensate for finite temperatures. We find a positive value for the asymmetry, which disappears when the temperature is increased. We also compute the value of the full dimension two condensate for higher temperatures, and we find that it decreases in absolute value, finally disappearing for sufficiently high temperature. We also comment on the temperature dependence of the electric and magnetic components of the condensate separately. We compare our results with the corresponding lattice date found by Chernodub and Ilgenfritz.

  14. A Finite Element Model Of Self-Resonating Bimorph Microcantilever For Fast Temperature Cycling In A Pyroelectric Energy Harvester

    SciTech Connect

    Mostafa, Salwa; Lavrik, Nickolay V; Bannuru, Thirumalesh; Rajic, Slobodan; Islam, Syed K; Datskos, Panos G; Hunter, Scott Robert

    2011-01-01

    A self resonating bimorph cantilever structure for fast temperature cycling in a pyroelectric energy harvester has been modeled using a finite element method. The effect of constituting material properties and system parameters on the frequency and magnitude of temperature cycling and the efficiency of energy recycling using the proposed structure has been investigated. Results show that thermal contact conductance and heat source temperature play a key role in dominating the cycling frequency and efficiency of energy recycling. An optimal solution for the most efficient energy scavenging process has been sought by studying the performance trend with different variable parameters such as thermal contact conductance, heat source temperature, device aspect ratio and constituent materials of varying thermal conductivity and expansion coefficients.

  15. Experimental Investigation and 3D Finite Element Prediction of Temperature Distribution during Travelling Heat Sourced from Oxyacetylene Flame

    NASA Astrophysics Data System (ADS)

    Umar Alkali, Adam; Lenggo Ginta, Turnad; Majdi Abdul-Rani, Ahmad

    2015-04-01

    This paper presents a 3D transient finite element modelling of the workpiece temperature field produced during the travelling heat sourced from oxyacetylene flame. The proposed model was given in terms of preheat-only test applicable during thermally enhanced machining using the oxyacetylene flame as a heat source. The FEA model as well as the experimental test investigated the surface temperature distribution on 316L stainless steel at scanning speed of 100mm/min, 125mm/min 160mm/min, 200mm/min and 250mm/min. The parametric properties of the heat source maintained constant are; lead distance Ld =10mm, focus height Fh=7.5mm, oxygen gas pressure Poxy=15psi and acetylene gas pressure Pacty=25psi. An experimental validation of the temperature field induced on type 316L stainless steel reveal that temperature distribution increases when the travelling speed decreases.

  16. Finite Element Models and Properties of a Stiffened Floor-Equipped Composite Cylinder

    NASA Technical Reports Server (NTRS)

    Grosveld, Ferdinand W.; Schiller, Noah H.; Cabell, Randolph H.

    2010-01-01

    Finite element models were developed of a floor-equipped, frame and stringer stiffened composite cylinder including a coarse finite element model of the structural components, a coarse finite element model of the acoustic cavities above and below the beam-supported plywood floor, and two dense models consisting of only the structural components. The report summarizes the geometry, the element properties, the material and mechanical properties, the beam cross-section characteristics, the beam element representations and the boundary conditions of the composite cylinder models. The expressions used to calculate the group speeds for the cylinder components are presented.

  17. Multi-triplet bound states and finite-temperature dynamics in highly frustrated quantum spin ladders

    NASA Astrophysics Data System (ADS)

    Honecker, Andreas; Mila, Frédéric; Normand, B.

    2016-09-01

    Low-dimensional quantum magnets at finite temperatures present a complex interplay of quantum and thermal fluctuation effects in a restricted phase space. While some information about dynamical response functions is available from theoretical studies of the one-triplet dispersion in unfrustrated chains and ladders, little is known about the finite-temperature dynamics of frustrated systems. Experimentally, inelastic neutron scattering studies of the highly frustrated two-dimensional material SrCu2(BO3)2 show an almost complete destruction of the one-triplet excitation band at a temperature only 1/3 of its gap energy, accompanied by strong scattering intensities for apparent multi-triplet excitations. We investigate these questions in the frustrated spin ladder and present numerical results from exact diagonalization for the dynamical structure factor as a function of temperature. We find anomalously rapid transfer of spectral weight out of the one-triplet band and into both broad and sharp spectral features at a wide range of energies, including below the zero-temperature gap of this excitation. These features are multi-triplet bound states, which develop particularly strongly near the quantum phase transition, fall to particularly low energies there, and persist all the way to infinite temperature. Our results offer valuable insight into the physics of finite-temperature spectral functions in SrCu2(BO3)2 and many other highly frustrated spin systems.

  18. Electronic chemical response indexes at finite temperature in the canonical ensemble.

    PubMed

    Franco-Pérez, Marco; Gázquez, José L; Vela, Alberto

    2015-07-14

    Assuming that the electronic energy is given by a smooth function of the number of electrons and within the extension of density functional theory to finite temperature, the first and second order chemical reactivity response functions of the Helmholtz free energy with respect to the temperature, the number of electrons, and the external potential are derived. It is found that in all cases related to the first or second derivatives with respect to the number of electrons or the external potential, there is a term given by the average of the corresponding derivative of the electronic energy of each state (ground and excited). For the second derivatives, including those related with the temperature, there is a thermal fluctuation contribution that is zero at zero temperature. Thus, all expressions reduce correctly to their corresponding chemical reactivity expressions at zero temperature and show that, at room temperature, the corrections are very small. When the assumption that the electronic energy is given by a smooth function of the number of electrons is replaced by the straight lines behavior connecting integer values, as required by the ensemble theorem, one needs to introduce directional derivatives in most cases, so that the temperature dependent expressions reduce correctly to their zero temperature counterparts. However, the main result holds, namely, at finite temperature the thermal corrections to the chemical reactivity response functions are very small. Consequently, the present work validates the usage of reactivity indexes calculated at zero temperature to infer chemical behavior at room and even higher temperatures.

  19. Electronic chemical response indexes at finite temperature in the canonical ensemble

    SciTech Connect

    Franco-Pérez, Marco E-mail: jlgm@xanum.uam.mx Gázquez, José L. E-mail: jlgm@xanum.uam.mx; Vela, Alberto E-mail: jlgm@xanum.uam.mx

    2015-07-14

    Assuming that the electronic energy is given by a smooth function of the number of electrons and within the extension of density functional theory to finite temperature, the first and second order chemical reactivity response functions of the Helmholtz free energy with respect to the temperature, the number of electrons, and the external potential are derived. It is found that in all cases related to the first or second derivatives with respect to the number of electrons or the external potential, there is a term given by the average of the corresponding derivative of the electronic energy of each state (ground and excited). For the second derivatives, including those related with the temperature, there is a thermal fluctuation contribution that is zero at zero temperature. Thus, all expressions reduce correctly to their corresponding chemical reactivity expressions at zero temperature and show that, at room temperature, the corrections are very small. When the assumption that the electronic energy is given by a smooth function of the number of electrons is replaced by the straight lines behavior connecting integer values, as required by the ensemble theorem, one needs to introduce directional derivatives in most cases, so that the temperature dependent expressions reduce correctly to their zero temperature counterparts. However, the main result holds, namely, at finite temperature the thermal corrections to the chemical reactivity response functions are very small. Consequently, the present work validates the usage of reactivity indexes calculated at zero temperature to infer chemical behavior at room and even higher temperatures.

  20. The quantum correlation dynamics of two qubits in finite-temperature environments with dynamical decoupling pulses

    SciTech Connect

    He, Qi-Liang; Xu, Jing-Bo; Yao, Dao-Xin; Zhang, Ye-Qi

    2013-07-15

    We investigate the dynamics of quantum correlation between two noninteracting qubits each inserted in its own finite-temperature environment with 1/f spectral density. It is found that the phenomenon of sudden transition between classical and quantum decoherence exists in the system when two qubits are initially prepared in X-type quantum states, and the transition time depends on the initial-state of two qubits, the qubit–environment coupling constant and the temperature of the environment. Furthermore, we explore the influence of dynamical decoupling pulses on the transition time and show that it can be prolonged by applying the dynamical decoupling pulses. -- Highlights: •The sudden transition phenomenon from finite-temperature environments is studied. •The transition time depends on the environment temperature and the system parameters. •The transition time can be prolonged by applying the dynamical decoupling pulses.

  1. Splitting and merging an elongated Bose-Einstein condensate at finite temperature

    SciTech Connect

    Mebrahtu, A.; Sanpera, A.; Lewenstein, M.

    2006-03-15

    We analyze coherence effects during the splitting of a quasi one-dimensional condensate into two spatially separated ones and their subsequent merging into a single condensate. Our analysis takes into account finite-temperature effects, where phase fluctuations play an important role. We show that, at zero temperature, the two split condensates can be merged into a single one with a negligible phase difference. By increasing the temperature to a finite value below the critical point for condensation (T{sub c}), i.e., 0{<=}T/T{sub c}<1, a considerable enhancement of phase and density fluctuations appears during the process of splitting and merging. Our results show that if the process of splitting and merging is sufficiently adiabatic, the whole process is quite insensitive to phase fluctuations and even at high temperatures, a single condensate can be produced.

  2. Scalar field theory at finite temperature in D =2+1

    NASA Astrophysics Data System (ADS)

    Añaños, G. N. J.

    2006-01-01

    We discuss the φ6 theory defined in D =2+1-dimensional space-time and assume that the system is in equilibrium with a thermal bath at temperature β-1. We use the 1/N expansion and the method of the composite operator (Cornwall, Jackiw, and Tomboulis) for summing a large set of Feynman graphs. We demonstrate explicitly the Coleman-Mermin-Wagner theorem at finite temperature.

  3. Finite temperature solitons in nonlocal field theories from p-adic strings

    SciTech Connect

    Biswas, Tirthabir; Cembranos, Jose A. R.; Kapusta, Joseph I.

    2010-10-15

    Nonlocal field theories which arise from p-adic string theories have vacuum soliton solutions. We find the soliton solutions at finite temperature. These solutions become important for the partition function when the temperature exceeds m{sub s}/g{sub o}{sup 2}, where m{sub s} is the string mass scale and g{sub o} is the open string coupling.

  4. Critical velocity for vortex nucleation in a finite-temperature Bose gas

    NASA Astrophysics Data System (ADS)

    Stagg, G. W.; Pattinson, R. W.; Barenghi, C. F.; Parker, N. G.

    2016-02-01

    We use classical field simulations of the homogeneous Bose gas to study the breakdown of superflow due to vortex nucleation past a cylindrical obstacle at finite temperature. Thermal fluctuations modify the vortex nucleation from the obstacle, turning antiparallel vortex lines (which would be nucleated at zero temperature) into wiggly lines, vortex rings, and even vortex tangles. We find that the critical velocity for vortex nucleation decreases with increasing temperature and scales with the speed of sound of the condensate, becoming zero at the critical temperature for condensation.

  5. Overlap of quantum many-body states with a separable state and phase transitions in the Dicke model: Zero and finite temperature

    SciTech Connect

    Cui, H. T.

    2010-04-15

    Overlap with the separable state is introduced in this article for the purpose of characterizing the overall correlation in many-body systems. This definition has clear geometric and physical meaning and moreover can be considered as the generalization of the concept of the Anderson orthogonality catastrophe. As an exemplification, it is used to mark the phase transition in the Dicke model for zero and finite temperatures, and the discussion shows that it can faithfully reflect the phase transition properties of this model whether for zero or finite temperature. Furthermore, the overlap for the ground state also indicates the appearance of multipartite entanglement in the Dicke model.

  6. Finite Element Analysis of Thermo-Mechanical Properties of 3D Braided Composites

    NASA Astrophysics Data System (ADS)

    Jiang, Li-li; Xu, Guo-dong; Cheng, Su; Lu, Xia-mei; Zeng, Tao

    2014-04-01

    This paper presents a modified finite element model (FEM) to investigate the thermo-mechanical properties of three-dimensional (3D) braided composite. The effective coefficients of thermal expansion (CTE) and the meso-scale mechanical response of 3D braided composites are predicted. The effects of the braiding angle and fiber volume fraction on the effective CTE are evaluated. The results are compared to the experimental data available in the literature to demonstrate the accuracy and reliability of the present method. The tensile stress distributions of the representative volume element (RVE) are also outlined. It is found that the stress of the braiding yarn has a significant increase with temperature rise; on the other hand, the temperature change has an insignificant effect on the stress of the matrix. In addition, a rapid decrease in the tensile strength of 3D braided composites is observed with the increase in temperature. It is revealed that the thermal conditions have a significant effect on the strength of 3D braided composites. The present method provides an effective tool to predict the stresses of 3D braided composites under thermo-mechanical loading.

  7. Toward a unified description of spin incoherent behavior at zero and finite temperatures

    NASA Astrophysics Data System (ADS)

    Soltanieh-Ha, Mohammad; Feiguin, Adrian

    2013-03-01

    While the basic theoretical understanding of spin-charge separation in one-dimension, known as ``Luttinger liquid theory'', has existed for some time, recently a previously unidentified regime of strongly interacting one-dimensional systems at finite temperature came to light: The ``spin-incoherent Luttinger liquid'' (SILL). This occurs when the temperature is larger than the characteristic spin energy scale. I will show that the spin-incoherent state can be written exactly as a generalization of Ogata and Shiba's factorized wave function in an enlarged Hilbert space, using the so-called ``thermo-field formalism.'' Interestingly, this wave-function can also describe the *ground-state* of other model Hamiltonians, such as t-J ladders, and the Kondo lattice. This allows us to develop a unified formalism to describe SILL physics both at zero, and finite temperatures.

  8. Toward a unified description of spin incoherent behavior at zero and finite temperatures

    NASA Astrophysics Data System (ADS)

    Soltanieh-Ha, Mohammad; Feiguin, Adrian

    2012-02-01

    While the basic theoretical understanding of spin-charge separation in one-dimension, known as ``Luttinger liquid theory'', has existed for some time, recently a previously unidentified regime of strongly interacting one-dimensional systems at finite temperature came to light: The ``spin-incoherent Luttinger liquid'' (SILL). This occurs when the temperature is larger than the characteristic spin energy scale. I will show that the spin-incoherent state can be written exactly as a generalization of Ogata and Shiba's factorized wave function in an enlarged Hilbert space, using the so-called ``thermo-field formalism.'' Interestingly, this wave-function can also describe the *ground-state* of other model Hamiltonians, such as t-J ladders, and the Kondo lattice. This allows us to develop a unified formalism to describe SILL physics both at zero, and finite temperatures.

  9. Large-coordination-number expansion of a lattice Bose gas at finite temperature

    NASA Astrophysics Data System (ADS)

    Navez, Patrick; Queisser, Friedemann; Schützhold, Ralf

    2016-08-01

    The expansion of the partition function for large coordination number Z is a long-standing method and has formerly been used to describe the Ising model at finite temperatures. We extend this approach and study the interacting Bose gas at finite temperatures. An analytical expression for the free energy is derived which is valid for weakly interacting and strongly interacting bosons. The transition line which separates the superfluid phase from Mott insulating or normal gas phase is shown for fillings =1 and =2 . For unit filling, our findings agree qualitatively with quantum Monte Carlo results. Contrary to the well-known mean-field result, the shift of the critical temperature in the weakly interacting regime is apparent.

  10. Finite-temperature twisted-untwisted transition of the kagome lattice

    NASA Astrophysics Data System (ADS)

    Bedi, Deshpreet; Rocklin, D. Zeb; Mao, Xiaoming

    Mechanical instability governs many fascinating phenomena in nature, including jamming, glass transitions, and structural phase transitions. Although mechanical instability in athermal systems is well understood, how thermal fluctuations modify such transitions remains largely unexplored. Recent studies reveal that, due to the large number of floppy modes that emerge at mechanical instability, intriguing new phenomena occur, such as fluctuation-driven first-order transitions and order-by-disorder. In this talk, we present an analytic study of the finite-temperature rigidity transition for the kagome lattice. Our model exhibits a zero-temperature continuous twisted-untwisted transition as the sign of the next-nearest-neighbor spring constant changes. At finite temperature, we show that the divergent contribution of floppy modes to the vibrational entropy renormalizes this spring constant, resulting in a first-order transition. We also propose an experimental manifestation of this transition in the system of self-assembling triblock Janus particles.

  11. Sequences with M-Bonacci Property and Their Finite Sums

    ERIC Educational Resources Information Center

    Asiru, Muniru A.

    2008-01-01

    The note introduces sequences having M-bonacci property. Two summation formulas for sequences with M-bonacci property are derived. The formulas are generalizations of corresponding summation formulas for both M-bonacci numbers and Fibonacci numbers that have appeared previously in the literature. Applications to the Arithmetic series, "m"th "g -…

  12. Monte Carlo studies of supersymmetric matrix quantum mechanics with sixteen supercharges at finite temperature.

    PubMed

    Anagnostopoulos, Konstantinos N; Hanada, Masanori; Nishimura, Jun; Takeuchi, Shingo

    2008-01-18

    We present the first Monte Carlo results for supersymmetric matrix quantum mechanics with 16 supercharges at finite temperature. The recently proposed nonlattice simulation enables us to include the effects of fermionic matrices in a transparent and reliable manner. The internal energy nicely interpolates the weak coupling behavior obtained by the high temperature expansion, and the strong coupling behavior predicted from the dual black-hole geometry. The Polyakov line asymptotes at low temperature to a characteristic behavior for a deconfined theory, suggesting the absence of a phase transition. These results provide highly nontrivial evidence for the gauge-gravity duality. PMID:18232852

  13. FDTD simulation of finite-amplitude pressure and temperature fields for biomedical ultrasound.

    PubMed

    Hallaj, I M; Cleveland, R O

    1999-05-01

    Full wave simulations provide a valuable tool for studying the spatial and temporal nature of an acoustic field. One method for producing such simulations is the finite-difference time-domain (FDTD) method. This method uses discrete differences to approximate derivatives in the governing partial differential equations. We used the FDTD method to model the propagation of finite-amplitude sound in a homogeneous thermoviscous fluid. The calculated acoustic pressure field was then used to compute the transient temperature rise in the fluid; the heating results from absorption of acoustic energy by the fluid. As an example, the transient temperature field was calculated in biological tissue in response to a pulse of focused ultrasound. Enhanced heating of the tissue from finite-amplitude effects was observed. The excess heating was attributed to the nonlinear generation of higher-frequency harmonics which are absorbed more readily than the fundamental. The effect of nonlinear distortion on temperature rise in tissue was observed to range from negligible at 1 MPa source pressure to an 80% increase in temperature elevation at 10 MPa source pressure.

  14. Determining microwave brightness temperatures from precipitating horizontally finite and vertically structured clouds

    NASA Technical Reports Server (NTRS)

    Kummerow, C.; Weinman, J. A.

    1988-01-01

    Microwave radiances that may be measured from satellite-borne radiometers operating at 37 GHz have been computed as a function of rainfall rates from horizontally finite precipitating clouds that contain both ice and liquid hydrometeors. It is found that precipitating ice at the top of the cloud depresses brightness temperatures significantly. Detailed comparison between finite clouds and the equivalent sections of plane-parallel clouds are made. Footprint averaged brightness temperatures from finite clouds are found to deviate considerably from the sectioned plane-parallel approximation, especially for large rain rates. Better agreement is achieved if a plane-parallel source function is used in the finite cloud model. The effect of shape and orientation of the precipitating cells with respect to the satellite has also been considered. It is found that the largest errors introduced by plane-parallel theory besides the footprint-filling errors are encountered when precipitating cells have large fractions of their surface below the freezing level or contain large amounts of ice.

  15. Spin Transport in the XXZ Chain at Finite Temperature and Momentum

    NASA Astrophysics Data System (ADS)

    Brenig, Wolfram; Steinigeweg, Robin

    2012-02-01

    We investigate the role of momentum for the transport of magnetization in the spin-1/2 Heisenberg chain above the isotropic point at finite temperature and momentum [1]. Using numerical and analytical approaches, we analyze the autocorrelations of density and current and observe a finite region of the Brillouin zone with diffusive dynamics below a cut-off momentum, and a diffusion constant independent of momentum and time, which scales inversely with anisotropy. Lowering the temperature over a wide range, starting from infinity, the diffusion constant is found to increase strongly while the cut-off momentum for diffusion decreases. Above the cut-off momentum diffusion breaks down completely.[4pt] [1] Robin Steinigeweg and Wolfram Brenig, arXiv:1107.3103

  16. Finite electron temperature effects on interferometric and polarimetric measurements in fusion plasmas

    NASA Astrophysics Data System (ADS)

    Mirnov, V. V.; Ding, W. X.; Brower, D. L.; Van Zeeland, M. A.; Carlstrom, T. N.

    2007-10-01

    Finite electron temperature effects on interferometry and polarimetry measurements for burning plasma are considered with particular focus on analytically understanding the role of weakly relativistic effects. Development of a new iterative technique, in the limit when the probing wave frequency is much higher than the electron cyclotron frequency, yields the dispersion relation to lowest (linear) order in Te/mec2≪1. Perturbative treatment of the wave phase and polarization is presented in a form suitable for interpretation of experimental data. Previous analysis of the problem included nonrelativistic calculations only. Herein, it is shown that relativistic effects are equally important. Theoretical results are in agreement with computations and can be used for benchmarking of ray tracing codes. The implication of finite temperature effects on future burning plasma interferometer diagnostics is discussed.

  17. Finite-temperature fluid–insulator transition of strongly interacting 1D disordered bosons

    NASA Astrophysics Data System (ADS)

    Michal, Vincent P.; Aleiner, Igor L.; Altshuler, Boris L.; Shlyapnikov, Georgy V.

    2016-08-01

    We consider the many-body localization–delocalization transition for strongly interacting one-dimensional disordered bosons and construct the full picture of finite temperature behavior of this system. This picture shows two insulator–fluid transitions at any finite temperature when varying the interaction strength. At weak interactions, an increase in the interaction strength leads to insulator → fluid transition, and, for large interactions, there is a reentrance to the insulator regime. It is feasible to experimentally verify these predictions by tuning the interaction strength with the use of Feshbach or confinement-induced resonances, for example, in 7Li or 39K.

  18. Quantum dynamics at finite temperature: Time-dependent quantum Monte Carlo study

    NASA Astrophysics Data System (ADS)

    Christov, Ivan P.

    2016-08-01

    In this work we investigate the ground state and the dissipative quantum dynamics of interacting charged particles in an external potential at finite temperature. The recently devised time-dependent quantum Monte Carlo (TDQMC) method allows a self-consistent treatment of the system of particles together with bath oscillators first for imaginary-time propagation of Schrödinger type of equations where both the system and the bath converge to their finite temperature ground state, and next for real time calculation where the dissipative dynamics is demonstrated. In that context the application of TDQMC appears as promising alternative to the path-integral related techniques where the real time propagation can be a challenge.

  19. Distillability sudden death and sudden birth in a two-qutrit system under decoherence at finite temperature

    NASA Astrophysics Data System (ADS)

    Guo, You-neng; Fang, Mao-fa; Wang, Guo-you; Zeng, Ke

    2016-07-01

    Distillability sudden death and sudden birth in a two-qutrit system locally subject to amplitude damping channel at a finite temperature have been studied in detail. By using the negativity and the realignment criterion, the results show that certain initially prepared free entangled states under amplitude damping channel at a finite temperature may become bound entangled or separable states in a finite time. Moreover, we have also demonstrated initially prepared bound entangled or separable states may also become distillable entangled states in a finite time.

  20. Electrosurgical vessel sealing tissue temperature: experimental measurement and finite element modeling.

    PubMed

    Chen, Roland K; Chastagner, Matthew W; Dodde, Robert E; Shih, Albert J

    2013-02-01

    The temporal and spatial tissue temperature profile in electrosurgical vessel sealing was experimentally measured and modeled using finite element modeling (FEM). Vessel sealing procedures are often performed near the neurovascular bundle and may cause collateral neural thermal damage. Therefore, the heat generated during electrosurgical vessel sealing is of concern among surgeons. Tissue temperature in an in vivo porcine femoral artery sealed using a bipolar electrosurgical device was studied. Three FEM techniques were incorporated to model the tissue evaporation, water loss, and fusion by manipulating the specific heat, electrical conductivity, and electrical contact resistance, respectively. These three techniques enable the FEM to accurately predict the vessel sealing tissue temperature profile. The averaged discrepancy between the experimentally measured temperature and the FEM predicted temperature at three thermistor locations is less than 7%. The maximum error is 23.9%. Effects of the three FEM techniques are also quantified.

  1. Low-field diamagnetic response of granular superconductors at finite temperatures

    SciTech Connect

    Auletta, C.; Raiconi, G. ); De Luca, R.; Pace, S. )

    1994-05-01

    We study the low-field diamagnetic response of granular superconductors at finite temperatures by means of a simple two-dimensional Josephson-junction array. The temperature effects are taken into account by inserting white-noise current sources in parallel to the resistively shunted junction circuit models of the Josephson junctions of the network. By this analysis we argue that a simplified one-dimensional description of the equivalent circuit, proposed by the authors for cylindrical granular superconductors, is still valid even in the presence of thermally activated flux jumps. A flux-creep picture for intergranular flux motion follows.

  2. Sound propagation in a Bose-Einstein condensate at finite temperatures

    SciTech Connect

    Meppelink, R.; Koller, S. B.; Straten, P. van der

    2009-10-15

    We study the propagation of a density wave in a magnetically trapped Bose-Einstein condensate at finite temperatures. The thermal cloud is in the hydrodynamic regime and the system is therefore described by the two-fluid model. A phase-contrast imaging technique is used to image the cloud of atoms and allows us to observe small density excitations. The propagation of the density wave in the condensate is used to determine the speed of sound as a function of the temperature. We find the speed of sound to be in good agreement with calculations based on the Landau two-fluid model.

  3. A three-dimensional finite element model of the transibial residual limb and prosthetic socket to predict skin temperatures.

    PubMed

    Peery, Jeffrey T; Klute, Glenn K; Blevins, Joanna J; Ledoux, William R

    2006-09-01

    Amputees who wear prosthetic limbs often experience discomfort from blisters and sores due to mechanical insult; these skin conditions are exacerbated by elevated skin temperatures and excessive perspiration within the prosthetic socket. The goal of this study was to create a tool for developing new prostheses that accommodate varying thermal loads arising from everyday activities. A three-dimensional thermal model of a transtibial residual limb and prosthesis was constructed using the finite element (FE) method. Transverse computerized tomography (CT) scans were used to specify the geometry of the residual limb and socket. Thermal properties from the literature were assigned to both biological tissue and prosthetic socket elements. The purpose of this work was to create a model that would aid in testing the effect of new prosthesis designs on skin temperature. To validate its output, the model was used to predict the skin temperature distribution in a common prosthetic socket system (silicone liner, wool sock, and carbon fiber socket) at rest with no mechanical loading. Skin temperatures were generally elevated near muscle and decreased anteriorly and at the distal end. Experimental temperature measurements taken at the skin-prosthesis interface of five human subjects were used to validate the model. Data extracted from the thermal model at anterior, posterior, lateral, and medial locations were typically within one standard deviation of experimental results; the mean temperatures were within 0.3 degree C for each section and were within 0.1 degree C overall.

  4. Lattice QCD at finite temperature and density in the phase-quenched approximation.

    SciTech Connect

    Kogut, J. B.; Sinclair, D. K.; High Energy Physics; Univ Maryland

    2008-06-01

    QCD at a finite quark-number chemical potential {mu} has a complex fermion determinant, which precludes its study by standard lattice QCD simulations. We therefore simulate lattice QCD at finite {mu} in the phase-quenched approximation, replacing the fermion determinant with its magnitude. (The phase-quenched approximation can be considered as simulating at finite isospin chemical potential 2{mu} for N{sub f}/2 u-type and N{sub F}/2 d-type quark flavors.) These simulations are used to study the finite-temperature transition for small {mu}, where there is some evidence that the position (and possibly the nature) of this transition is unchanged by this approximation. We look for the expected critical endpoint for 3-flavor QCD. Here, it has been argued that the critical point at zero {mu} would become the critical endpoint at small {mu}, for quark masses just above the critical mass. Our simulations indicate that this does not happen, and there is no such critical endpoint for small {mu}. We discuss how we might adapt techniques used for imaginary {mu} to improve the signal/noise ratio and strengthen our conclusions, using results from relatively low statistics studies.

  5. Lattice QCD at finite temperature and density in the phase-quenched approximation

    SciTech Connect

    Kogut, J. B.; Sinclair, D. K.

    2008-06-01

    QCD at a finite quark-number chemical potential {mu} has a complex fermion determinant, which precludes its study by standard lattice QCD simulations. We therefore simulate lattice QCD at finite {mu} in the phase-quenched approximation, replacing the fermion determinant with its magnitude. (The phase-quenched approximation can be considered as simulating at finite isospin chemical potential 2{mu} for N{sub f}/2 u-type and N{sub f}/2 d-type quark flavors.) These simulations are used to study the finite-temperature transition for small {mu}, where there is some evidence that the position (and possibly the nature) of this transition is unchanged by this approximation. We look for the expected critical endpoint for 3-flavor QCD. Here, it has been argued that the critical point at zero {mu} would become the critical endpoint at small {mu}, for quark masses just above the critical mass. Our simulations indicate that this does not happen, and there is no such critical endpoint for small {mu}. We discuss how we might adapt techniques used for imaginary {mu} to improve the signal/noise ratio and strengthen our conclusions, using results from relatively low statistics studies.

  6. Optical properties of water at high temperature

    SciTech Connect

    French, Martin; Redmer, Ronald

    2011-04-15

    We calculate optical properties of water along the principal Hugoniot curve from ambient conditions up to temperatures of 130 000 K with density functional theory (DFT) and the Kubo-Greenwood formula. The effect of the exchange correlation functional is examined by comparing the generalized gradient approximation with a hybrid functional that contains Fock exchange. We find noticeable but moderate differences between the respective results which decrease rapidly above 80 000 K. The reflectivity along the principal Hugoniot is calculated and a good qualitative but fair quantitative agreement with available experimental data is found. Our results are of general relevance for calculations of optical properties with DFT at zero and elevated temperature.

  7. Pauli blocking in low-dimensional Fermi systems at finite temperatures

    NASA Astrophysics Data System (ADS)

    Sevilla, Francisco J.; Fortes, M.; Solis, M. A.

    2010-03-01

    The chemical potential of an ideal Fermi gas for dimensions d<2 increases with temperature up to a maximum value [1], in sharp contrast with the monotonic decreasing behavior in the d=3 case [2]. The origin of this anomaly is examined in systems of non interacting fermions described by a more general energy-momentum dispersion relation ɛk^s. We show that the abnormal behavior is caused by the interplay of the density of states as a function of d/s and the exclusion principle producing a Pauli-blocking effect at finite temperatures. In the one-dimensional ideal Fermi gas, the effect is manifest up to temperatures as large as the Fermi temperature.[4pt] [1] M. Grether, M. de Llano, and M.A. Sol'is, Eur. Phys. J. D 25, 287 (2003).[0pt] [2] G. Cook and R.H. Dickerson, Am. J. Phys. 63 (8), 737 (1995).

  8. Dimensional effects in a relativistic mean-field approach. II. Finite temperatures

    SciTech Connect

    Sa Martins, J. S.; Delfino, A.

    2000-04-01

    The Walecka model is studied at finite temperatures in one, two, and three spatial dimensions. The critical temperatures (T{sub c}) and densities ({rho}{sub c}) for the liquid-gas phase transition are calculated in these dimensions. As expected from a mean-field approach, the phase diagram in the T/T{sub c} versus {rho}/{rho}{sub c} plane is dimension independent in the vicinity of the critical point. An interesting finding is that, because the critical and ''flash'' temperatures are proportional, within numerical errors, dimension-independent curves can also be obtained for the incompressibility by scaling with the ''flash'' point coordinates (T{sub f},{rho}{sub f}). At the high-temperature regime, only the two- and three-dimensional systems present a phase transition. (c) 2000 The American Physical Society.

  9. Real time evolution at finite temperatures with operator space matrix product states

    NASA Astrophysics Data System (ADS)

    Pižorn, Iztok; Eisler, Viktor; Andergassen, Sabine; Troyer, Matthias

    2014-07-01

    We propose a method to simulate the real time evolution of one-dimensional quantum many-body systems at finite temperature by expressing both the density matrices and the observables as matrix product states. This allows the calculation of expectation values and correlation functions as scalar products in operator space. The simulations of density matrices in inverse temperature and the local operators in the Heisenberg picture are independent and result in a grid of expectation values for all intermediate temperatures and times. Simulations can be performed using real arithmetics with only polynomial growth of computational resources in inverse temperature and time for integrable systems. The method is illustrated for the XXZ model and the single impurity Anderson model.

  10. U(1) slave-particle study of the finite-temperature doped Hubbard model in one and two dimensions

    SciTech Connect

    Ribeiro, P.; Sacramento, P.D.; Araujo, M.A.N.

    2011-05-15

    Research Highlights: > Mean-field U(1) slave-particle description of Hubbard model. > Fractionalized phases at finite-temperature in Hubbard model. > Spectral function of 1d and 2d Hubbard model. - Abstract: One-dimensional systems have unusual properties such as fractionalization of degrees of freedom. The occurrence of similar phenomena in higher dimensional systems has been considered in the literature for the description of quantum spin liquids and some non-fermi liquid phases. In this work we construct a mean field (MF) theory of the Hubbard model which is based on a representation of the electronic fields that explicitly introduces a separation of the charge and spin degrees of freedom (the so-called Zou-Anderson transformation) and study the finite-temperature phase diagram for the Hubbard chain and square lattice. The mean field variables are defined along the links of the underlying lattice. We obtain the spectral function and identify the regions of higher spectral weight with the fractionalized fermionic (spin) and bosonic (charge) excitations.

  11. Temperature dependence of quarks and gluon vacuum condensate in the Dyson-Schwinger Equations at finite temperature

    NASA Astrophysics Data System (ADS)

    Zhou, Li-Juan; Zheng, Bo; Zhong, Hong-Wei; Ma, Wei-Xing

    2015-03-01

    Based on the Dyson-Schwinger Equations (DSEs), the two-quark vacuum condensate, the four-quark vacuum condensate, and the quark gluon mixed vacuum condensate in the non-perturbative QCD vacuum state are investigated by solving the DSEs with rainbow truncation at zero- and finite- temperature, respectively. These condensates are important input parameters in QCD sum rule with zero and finite temperature, and in studying hadron physics, as well as predicting the quark mean squared momentum m20- also called quark virtuality in the QCD vacuum state. The present calculated results show that these physical quantities are almost independent of the temperature below the critical point temperature Tc = 131 MeV, and above Tc the chiral symmetry is restored. For comparison we calculate the temperature dependence of the “in-hadron condensate” for pion. At the same time, we also calculate the ratio of the quark gluon mixed vacuum condensate to the two-quark vacuum condensate by using these condensates, and the unknown quark mean squared momentum in the QCD vacuum state has been obtained. The results show that the ratio m20(T) is almost flat in the temperature region from 0 to Tc, although there are drastic changes of the quark vacuum condensate and the quark gluon mixed vacuum condensate at the region. Our predicted ratio comes out to be m20(T)=2.41 GeV2 at the Chiral limit, which is consistent with other theory model predictions, and strongly indicates the significance that the quark gluon mixed vacuum condensate has played in the virtuality calculations. Supported by National Natural Science Foundation of China (11365002), Guangxi Natural Science Foundation for Young Researchers (2013GXNSFBB053007, 2011GXNSFA018140), Guangxi Education Department (2013ZD049), Guangxi Grant for Excellent Researchers (2011-54), and Guangxi University of Science and Technology Foundation for PhDs (11Z16)

  12. Finite-size effects and percolation properties of Poisson geometries

    NASA Astrophysics Data System (ADS)

    Larmier, C.; Dumonteil, E.; Malvagi, F.; Mazzolo, A.; Zoia, A.

    2016-07-01

    Random tessellations of the space represent a class of prototype models of heterogeneous media, which are central in several applications in physics, engineering, and life sciences. In this work, we investigate the statistical properties of d -dimensional isotropic Poisson geometries by resorting to Monte Carlo simulation, with special emphasis on the case d =3 . We first analyze the behavior of the key features of these stochastic geometries as a function of the dimension d and the linear size L of the domain. Then, we consider the case of Poisson binary mixtures, where the polyhedra are assigned two labels with complementary probabilities. For this latter class of random geometries, we numerically characterize the percolation threshold, the strength of the percolating cluster, and the average cluster size.

  13. Finite-size effects and percolation properties of Poisson geometries.

    PubMed

    Larmier, C; Dumonteil, E; Malvagi, F; Mazzolo, A; Zoia, A

    2016-07-01

    Random tessellations of the space represent a class of prototype models of heterogeneous media, which are central in several applications in physics, engineering, and life sciences. In this work, we investigate the statistical properties of d-dimensional isotropic Poisson geometries by resorting to Monte Carlo simulation, with special emphasis on the case d=3. We first analyze the behavior of the key features of these stochastic geometries as a function of the dimension d and the linear size L of the domain. Then, we consider the case of Poisson binary mixtures, where the polyhedra are assigned two labels with complementary probabilities. For this latter class of random geometries, we numerically characterize the percolation threshold, the strength of the percolating cluster, and the average cluster size. PMID:27575099

  14. Hamiltonian finite-temperature quantum field theory from its vacuum on partially compactified space

    NASA Astrophysics Data System (ADS)

    Reinhardt, H.

    2016-08-01

    The partition function of a relativistic invariant quantum field theory is expressed by its vacuum energy calculated on a spatial manifold with one dimension compactified to a 1-sphere S1(β ), whose circumference β represents the inverse temperature. Explicit expressions for the usual energy density and pressure in terms of the energy density on the partially compactified spatial manifold R2×S1(β ) are derived. To make the resulting expressions mathematically well defined a Poisson resummation of the Matsubara sums as well as an analytic continuation in the chemical potential are required. The new approach to finite-temperature quantum field theories is advantageous in a Hamilton formulation since it does not require the usual thermal averages with the density operator. Instead, the whole finite-temperature behavior is encoded in the vacuum wave functional on the spatial manifold R2×S1(β ). We illustrate this approach by calculating the pressure of a relativistic Bose and Fermi gas and reproduce the known results obtained from the usual grand canonical ensemble. As a first nontrivial application we calculate the pressure of Yang-Mills theory as a function of the temperature in a quasiparticle approximation motivated by variational calculations in Coulomb gauge.

  15. Finite temperature bosonic charge and current densities in compactified cosmic string spacetime

    NASA Astrophysics Data System (ADS)

    Mohammadi, A.; Bezerra de Mello, E. R.

    2016-06-01

    In this paper, we study the expectation values of the induced charge and current densities for a massive bosonic field with nonzero chemical potential in the geometry of a higher-dimensional compactified cosmic string with magnetic fluxes along the string core and also enclosed by the compactified direction in thermal equilibrium at finite temperature T . These densities are calculated by decomposing them into the vacuum expectation values and finite temperature contributions coming from the particles and antiparticles. The only nonzero components correspond to the charge, azimuthal, and axial current densities. By using the Abel-Plana formula, we decompose the components of the densities into the part induced by the cosmic string and the one by the compactification. The charge density is an odd function of the chemical potential and even periodic function of the magnetic flux with a period equal to the quantum flux. Moreover, the azimuthal (axial) current density is an even function of the chemical potential and an odd (even) periodic function of the magnetic flux with the same period. In this paper, our main concern is the thermal effect on the charge and current densities, including some limiting cases, the low- and high-temperature approximations. We show that in all cases, the temperature enhances the induced densities.

  16. Finite temperature topological phase transitions and emergence of Dirac semi-metallic phases in a Kondo lattice

    NASA Astrophysics Data System (ADS)

    Chou, Po-Hao; Zhai, Liang-Jun; Chung, Chung-Hou; Lee, Ting-Kuo; Mou, Chung-Yu

    The energy gap in Dirac materials controls the topology and critical behaviors of the quantum phase transition associated with the critical point when the gap vanishes. However, it is often difficult to access the critical point as it requires tunablity of electronic structures. Here by exploiting the many-body screening interaction of localized spins and conduction electrons in a Kondo lattice, we demonstrate that the electronic band structures in a Kondo lattice are tunable in temperature. When spin-orbit interactions are included, we find that below the Kondo temperature, the Kondo lattice is a strong topological insulator at low temperature and undergoes a topological transition to a weak topological insulator at a higher temperature TD. At TD, Dirac points emerge and the Kondo lattice becomes a Dirac semimetal. Our results indicate that the topological phase transition though a Dirac semi-metallic phase at finite temperatures also manifests profound physics and results in critical-like behavior both in magnetic and transport properties near TD. We acknowledge support from NCTS and Ministry of Science and Technology (MoST), Taiwan.

  17. Properties of a finite fully spin-polarized free homogeneous one-dimensional electron gas

    SciTech Connect

    Ciftja, Orion

    2015-01-15

    The homogeneous electron gas model has been quite successful to predict the bulk properties of systems of electrons at various densities. In many occasions, a simplified free homogeneous electron gas model represents a powerful first approximation to a real system. Despite our considerable knowledge on the bulk properties of a homogeneous electron gas, advances in nanoscience and nanotechnology call for a greater effort to understand the opposite limit of small finite systems of electrons with size-dependent properties. In this work, we provide a detailed description of the properties of a finite fully spin-polarized (spinless) free homogeneous one-dimensional electron gas, the simplest of the free homogeneous electron gases. We derive exact analytical results for various quantities such as the one-particle density function, two-particle density function, one-particle density matrix, pair correlation function and energy of finite systems with an arbitrary number of electrons. The results obtained provide a detailed view on how various quantities corresponding to a finite system approach their bulk (thermodynamic limit) value.

  18. Stability Properties of Underdominance in Finite Subdivided Populations

    PubMed Central

    Altrock, Philipp M.; Traulsen, Arne; Reed, Floyd A.

    2011-01-01

    In isolated populations underdominance leads to bistable evolutionary dynamics: below a certain mutant allele frequency the wildtype succeeds. Above this point, the potentially underdominant mutant allele fixes. In subdivided populations with gene flow there can be stable states with coexistence of wildtypes and mutants: polymorphism can be maintained because of a migration-selection equilibrium, i.e., selection against rare recent immigrant alleles that tend to be heterozygous. We focus on the stochastic evolutionary dynamics of systems where demographic fluctuations in the coupled populations are the main source of internal noise. We discuss the influence of fitness, migration rate, and the relative sizes of two interacting populations on the mean extinction times of a group of potentially underdominant mutant alleles. We classify realistic initial conditions according to their impact on the stochastic extinction process. Even in small populations, where demographic fluctuations are large, stability properties predicted from deterministic dynamics show remarkable robustness. Fixation of the mutant allele becomes unlikely but the time to its extinction can be long. PMID:22072956

  19. Finite ballooning angle effects on ion temperature gradient driven mode in gyrokinetic flux tube simulations

    SciTech Connect

    Singh, Rameswar; Brunner, S.; Ganesh, R.; Jenko, F.

    2014-03-15

    This paper presents effects of finite ballooning angles on linear ion temperature gradient (ITG) driven mode and associated heat and momentum flux in Gyrokinetic flux tube simulation GENE. It is found that zero ballooning angle is not always the one at which the linear growth rate is maximum. The ITG mode acquires a short wavelength (SW) branch (k{sub ⊥}ρ{sub i} > 1) when growth rates maximized over all ballooning angles are considered. However, the SW branch disappears on reducing temperature gradient showing characteristics of zero ballooning angle SWITG in case of extremely high temperature gradient. Associated heat flux is even with respect to ballooning angle and maximizes at nonzero ballooning angle while the parallel momentum flux is odd with respect to the ballooning angle.

  20. Discord and entanglement in non-Markovian environments at finite temperatures

    NASA Astrophysics Data System (ADS)

    Zou, Hong-Mei; Fang, Mao-Fa

    2016-09-01

    The dynamic evolutions of the discord and entanglement of two atoms immersed in two independent Lorentzian reservoirs at zero and finite temperatures have been investigated by using the time-convolutionless master-equation method. Our results show that, nonzero temperature can induce the entanglement sudden death and accelerate the decays of discord and entanglement. The discord and the entanglement have different robustness for different initial states and their robustness may change under certain conditions. When both the non-Markovian effect and detuning are present simultaneously, due to the memory and feedback effect of non-Markovian reservoirs, the discord and entanglement can be effectively protected even at nonzero temperature by increasing the non-Markovian effect and the detuning. Project supported by the Science and Technology Plan of Hunan Province, China (Grant No. 2010FJ3148), the National Natural Science Foundation of China (Grant No. 11374096), and the Doctoral Science Foundation of Hunan Normal University, China.

  1. Discord and entanglement in non-Markovian environments at finite temperatures

    NASA Astrophysics Data System (ADS)

    Zou, Hong-Mei; Fang, Mao-Fa

    2016-09-01

    The dynamic evolutions of the discord and entanglement of two atoms immersed in two independent Lorentzian reservoirs at zero and finite temperatures have been investigated by using the time-convolutionless master-equation method. Our results show that, nonzero temperature can induce the entanglement sudden death and accelerate the decays of discord and entanglement. The discord and the entanglement have different robustness for different initial states and their robustness may change under certain conditions. When both the non-Markovian effect and detuning are present simultaneously, due to the memory and feedback effect of non-Markovian reservoirs, the discord and entanglement can be effectively protected even at nonzero temperature by increasing the non-Markovian effect and the detuning. Project supported by the Science and Technology Plan of Hunan Province, China (Grant No. 2010FJ3148), the National Natural Science Foundation of China (Grant No. 11374096), and the Doctoral Science Foundation of Hunan Normal University, China.

  2. Finite-temperature Wigner solid and other phases of ripplonic polarons on a helium film

    NASA Astrophysics Data System (ADS)

    Klimin, Serghei N.; Tempere, Jacques; Misko, Vyacheslav R.; Wouters, Michiel

    2016-07-01

    Electrons on liquid helium can form different phases depending on density, and temperature. Also the electron-ripplon coupling strength influences the phase diagram, through the formation of so-called "ripplonic polarons", that change how electrons are localized, and that shifts the transition between the Wigner solid and the liquid phase. We use an all-coupling, finite-temperature variational method to study the formation of a ripplopolaron Wigner solid on a liquid helium film for different regimes of the electron-ripplon coupling strength. In addition to the three known phases of the ripplopolaron system (electron Wigner solid, polaron Wigner solid, and electron fluid), we define and identify a fourth distinct phase, the ripplopolaron liquid. We analyse the transitions between these four phases and calculate the corresponding phase diagrams. This reveals a reentrant melting of the electron solid as a function of temperature. The calculated regions of existence of the Wigner solid are in agreement with recent experimental data.

  3. Emergence of a Fermionic Finite-Temperature Critical Point in a Kondo Lattice.

    PubMed

    Chou, Po-Hao; Zhai, Liang-Jun; Chung, Chung-Hou; Mou, Chung-Yu; Lee, Ting-Kuo

    2016-04-29

    The underlying Dirac point is central to the profound physics manifested in a wide class of materials. However, it is often difficult to drive a system with Dirac points across the massless fermionic critical point. Here by exploiting screening of local moments under spin-orbit interactions in a Kondo lattice, we show that below the Kondo temperature, the Kondo lattice undergoes a topological transition from a strong topological insulator to a weak topological insulator at a finite temperature T_{D}. At T_{D}, massless Dirac points emerge and the Kondo lattice becomes a Dirac semimetal. Our analysis indicates that the emergent relativistic symmetry dictates nontrivial thermal responses over large parameter and temperature regimes. In particular, it yields critical scaling behaviors both in magnetic and transport responses near T_{D}.

  4. Emergence of a Fermionic Finite-Temperature Critical Point in a Kondo Lattice

    NASA Astrophysics Data System (ADS)

    Chou, Po-Hao; Zhai, Liang-Jun; Chung, Chung-Hou; Mou, Chung-Yu; Lee, Ting-Kuo

    2016-04-01

    The underlying Dirac point is central to the profound physics manifested in a wide class of materials. However, it is often difficult to drive a system with Dirac points across the massless fermionic critical point. Here by exploiting screening of local moments under spin-orbit interactions in a Kondo lattice, we show that below the Kondo temperature, the Kondo lattice undergoes a topological transition from a strong topological insulator to a weak topological insulator at a finite temperature TD. At TD, massless Dirac points emerge and the Kondo lattice becomes a Dirac semimetal. Our analysis indicates that the emergent relativistic symmetry dictates nontrivial thermal responses over large parameter and temperature regimes. In particular, it yields critical scaling behaviors both in magnetic and transport responses near TD.

  5. Finite-temperature behavior of an impurity in the spin-1/2 XXZ chain

    NASA Astrophysics Data System (ADS)

    Yahagi, Ryoko; Sato, Jun; Deguchi, Tetsuo

    2014-11-01

    We study the zero- and the finite-temperature behavior of the integrable spin-1/2 XXZ periodic chain with an impurity by the algebraic and thermal Bethe ansatz methods. We evaluate the local magnetization on the impurity site at zero temperature analytically and derive the impurity susceptibility exactly from it. In the graphs of the impurity specific heat versus temperature, we show how the impurity spin becomes more liberated from the bulk many-body effect as the exchange coupling between the impurity spin and other spins decreases and that at low temperature it couples strongly to them such as in the Kondo effect. Thus, we observe not only the crossover behavior from the high- to the low-temperature regime, but another from the N-site chain to the (N - 1)-site chain with a free impurity spin. We also show that the estimate of the Wilson ratio at a given low temperature is independent of the impurity parameter if its absolute value is small enough with respect to the temperature and the universality class is described by the XXZ anisotropy in terms of the dressed charge.

  6. Polaronic effects at finite temperatures in the B850 ring of the LH2 complex.

    PubMed

    Chorošajev, Vladimir; Rancova, Olga; Abramavicius, Darius

    2016-03-21

    Energy transfer and relaxation dynamics in the B850 ring of LH2 molecular aggregates are described, taking into account the polaronic effects, by a stochastic time-dependent variational approach. We explicitly include the finite temperature effects in the model by sampling the initial conditions of the vibrational states randomly. This is in contrast to previous applications of the variational approach, which consider only the zero-temperature case. The method allows us to obtain both the microscopic dynamics at the single-wavefunction level and the thermally averaged picture of excitation relaxation over a wide range of temperatures. Spectroscopic observables such as temperature dependent absorption and time-resolved fluorescence spectra are calculated. Microscopic wavefunction evolution is quantified by introducing the exciton participation (localization) length and the exciton coherence length. Their asymptotic temperature dependence demonstrates that the environmental polaronic effects range from exciton self-trapping and excitonic polaron formation at low temperatures to thermally induced state delocalization and decoherence at high temperatures. While the transition towards the polaronic state can be observed on the wavefunction level, it does not produce a discernible effect on the calculated spectroscopic observables.

  7. Variational tensor network renormalization in imaginary time: Two-dimensional quantum compass model at finite temperature

    NASA Astrophysics Data System (ADS)

    Czarnik, Piotr; Dziarmaga, Jacek; Oleś, Andrzej M.

    2016-05-01

    Progress in describing thermodynamic phase transitions in quantum systems is obtained by noticing that the Gibbs operator e-β H for a two-dimensional (2D) lattice system with a Hamiltonian H can be represented by a three-dimensional tensor network, the third dimension being the imaginary time (inverse temperature) β . Coarse graining the network along β results in a 2D projected entangled-pair operator (PEPO) with a finite bond dimension D . The coarse graining is performed by a tree tensor network of isometries. The isometries are optimized variationally, taking into account full tensor environment, to maximize the accuracy of the PEPO. The algorithm is applied to the isotropic quantum compass model on an infinite square lattice near a symmetry-breaking phase transition at finite temperature. From the linear susceptibility in the symmetric phase and the order parameter in the symmetry-broken phase, the critical temperature is estimated at Tc=0.0606 (4 ) J , where J is the isotropic coupling constant between S =1/2 pseudospins.

  8. Second-order number-conserving description of nonequilibrium dynamics in finite-temperature Bose-Einstein condensates

    NASA Astrophysics Data System (ADS)

    Billam, T. P.; Mason, P.; Gardiner, S. A.

    2013-03-01

    While the Gross-Pitaevskii equation is well established as the canonical dynamical description of atomic Bose-Einstein condensates (BECs) at zero temperature, describing the dynamics of BECs at finite temperatures remains a difficult theoretical problem, particularly when considering low-temperature, nonequilibrium systems in which depletion of the condensate occurs dynamically as a result of external driving. In this paper, we describe a fully time-dependent numerical implementation of a second-order, number-conserving description of finite-temperature BEC dynamics. This description consists of equations of motion describing the coupled dynamics of the condensate and noncondensate fractions in a self-consistent manner, and is ideally suited for the study of low-temperature, nonequilibrium, driven systems. The δ-kicked-rotor BEC provides a prototypical example of such a system, and we demonstrate the efficacy of our numerical implementation by investigating its dynamics at finite temperature. We demonstrate that the qualitative features of the system dynamics at zero temperature are generally preserved at finite temperatures, and predict a quantitative finite-temperature shift of resonance frequencies which would be relevant for, and could be verified by, future experiments.

  9. The use of ultrasonic property measurements as the basis for finite element analysis of composite materials

    NASA Astrophysics Data System (ADS)

    Madaras, E. I.; Kline, R. A.; Cruse, G.; Striz, A. G.

    1991-07-01

    In this work, the use of ultrasonic property measurements as the basis for finite element analysis of full scale composite components is presented. The approach utilizes multiple velocity measurements at oblique angles of incidence and quantitative analysis of radiographic images for the local determination of each of the nine orthotropic moduli in a woven carbon-carbon composite. These values were then used as input into a finite element code (NASTRAN) to analyze the response of the material to load: here, diametric compression. The predicted response was then compared with strain gage results at several locations to validate the approach.

  10. The use of ultrasonic property measurements as the basis for finite element analysis of composite materials

    NASA Technical Reports Server (NTRS)

    Madaras, E. I.; Kline, R. A.; Cruse, G.; Striz, A. G.

    1991-01-01

    In this work, the use of ultrasonic property measurements as the basis for finite element analysis of full scale composite components is presented. The approach utilizes multiple velocity measurements at oblique angles of incidence and quantitative analysis of radiographic images for the local determination of each of the nine orthotropic moduli in a woven carbon-carbon composite. These values were then used as input into a finite element code (NASTRAN) to analyze the response of the material to load: here, diametric compression. The predicted response was then compared with strain gage results at several locations to validate the approach.

  11. A finite element thermal analysis procedure for several temperature-dependent parameters

    NASA Technical Reports Server (NTRS)

    Thornton, E. A.; Wieting, A. R.

    1978-01-01

    A finite-element thermal analysis procedure for elements with several temperature-dependent thermal parameters is presented. The procedure, based on an application of the Newton-Raphson iteration technique, is formulated by resolving element matrices into component matrices, one component for each thermal parameter. Component conductance matrices are evaluated by assuming constant thermal parameters within an element and are computed once per unit thermal parameter. Significant savings in computer time result from the unit thermal parameter concept. The solution procedure applied to a convectively cooled structure with significantly varying thermal parameters converged in four iterations.

  12. Ising spin glasses: Corrections to finite size scaling, freezing temperatures, and critical exponents

    NASA Astrophysics Data System (ADS)

    Mari, P. O.; Campbell, I. A.

    1999-03-01

    We compare simulation data from different sources on two canonical three-dimensional Ising spin glasses (ISGs): the binomial +/-J near-neighbor interaction ISG and the Gaussian interaction ISG. We allow for the possibility of corrections to finite size scaling and estimate the correction exponent w. Consistent estimates for the critical temperatures Tg and for the critical exponents for each system are obtained. The data strongly indicate that critical exponents in the two systems are significantly different from each other. These results thus confirm a breakdown of standard universality rules in Ising spin glasses.

  13. Enhancing Robustness of Entanglement in Finite Temperature Environment Using Quantum Measurement Reversal

    NASA Astrophysics Data System (ADS)

    Hu, Yao-Hua; Tong, Lei; Tan, Yong-Gang; Fang, Mao-Fa

    2016-03-01

    We demonstrate methods of enhancing robustness of entanglement of two-qubit systems undergoing generalized amplitude damping decoherence using weak measurement and measurement reversal. The results show that the local action of generalized amplitude damping noise can cause sudden death of entanglement, and the weak measurement and measurement reversal is useful for combating generalized amplitude damping decoherence and recovering the entanglement of two entangled qubits. In addition, the results indicate that it would be much more easily implemented by applying quantum measurement reversal on a single-qubit to enhance robustness of entanglement in finite temperature environment, than on both qubits.

  14. Finite-temperature Gutzwiller approximation from the time-dependent variational principle

    NASA Astrophysics Data System (ADS)

    Lanatà, Nicola; Deng, Xiaoyu; Kotliar, Gabriel

    2015-08-01

    We develop an extension of the Gutzwiller approximation to finite temperatures based on the Dirac-Frenkel variational principle. Our method does not rely on any entropy inequality, and is substantially more accurate than the approaches proposed in previous works. We apply our theory to the single-band Hubbard model at different fillings, and show that our results compare quantitatively well with dynamical mean field theory in the metallic phase. We discuss potential applications of our technique within the framework of first-principle calculations.

  15. Computing ferrite core losses at high frequency by finite elements method including temperature influence

    SciTech Connect

    Ahmed, B.; Ahmad, J.; Guy, G.

    1994-09-01

    A finite elements method coupled with the Preisach model of hysteresis is used to compute-the ferrite losses in medium power transformers (10--60 kVA) working at relatively high frequencies (20--60 kHz) and with an excitation level of about 0.3 Tesla. The dynamic evolution of the permeability is taken into account. The simple and doubly cubic spline functions are used to account for temperature effects respectively on electric and on magnetic parameters of the ferrite cores. The results are compared with test data obtained with 3C8 and B50 ferrites at different frequencies.

  16. Sound Modes of a Bose-Fermi Mixture Superfluid at Finite Temperatures

    NASA Astrophysics Data System (ADS)

    Ono, Yosuke; Sakamoto, Ryohei; Mori, Hiroyuki; Arahata, Emiko

    2016-06-01

    We study the sound modes of a Bose-Fermi mixture superfluid at finite temperatures in the collisional hydrodynamic regime. We extend Landau's hydrodynamic theory to deal with a Bose-Fermi mixture superfluid and show the existence of three sound modes. We calculate the hydrodynamic sound velocities numerically using the Nozières and Schmitt-Rink theory at unitarity. The three-sound-modes hybrid in Bose-Fermi mixture superfluids contrasts with the two sound modes exhibited by 3He and 4He superfluids.

  17. Improvement of magnetic hardness at finite temperatures: Ab initio disordered local-moment approach for YCo5

    NASA Astrophysics Data System (ADS)

    Matsumoto, Munehisa; Banerjee, Rudra; Staunton, Julie B.

    2014-08-01

    Temperature dependence of the magnetocrystalline anisotropy energy and magnetization of the prototypical rare-earth magnet YCo5 is calculated from first principles, utilizing the relativistic disordered local-moment approach. We discuss a strategy to enhance the finite-temperature anisotropy field by hole doping, paving the way for an improvement of the coercivity near room temperature or higher.

  18. Finite-temperature corrections to the time-domain equations of motion for perpendicular propagation in nonuniform magnetized plasmas

    SciTech Connect

    Tierens, W.; De Zutter, D.

    2012-11-15

    In this paper we extend the new techniques of W. Tierens and D. D. Zutter, J. Comput. Phys. 231, 5144 (2012) to include finite Larmor radius effects up to second order in the Larmor radius. We limit ourselves to the case of propagation perpendicular to the background magnetic field B(vector sign){sub 0}. We show that our time-domain technique is able to produce the lowest-order Bernstein wave (a wave believed to be useful for heating fusion devices [H. P. Laqua, Plasma Phys. Controlled Fusion 49, R1 (2007)]). The discrete equations retain many of the favourable properties described in W. Tierens and D. D. Zutter, J. Comput. Phys. 231, 5144 (2012), i.e., unconditional stability and a straightforward relation between the second-order accurate continuous dispersion relation and the dispersion relation of the discretized problem. The theory is illustrated by a place-independent and a place-dependent temperature numerical example.

  19. Finite-temperature scaling at the quantum critical point of the Ising chain in a transverse field

    NASA Astrophysics Data System (ADS)

    Haelg, Manuel; Huvonen, Dan; Guidi, Tatiana; Quintero-Castro, Diana Lucia; Boehm, Martin; Regnault, Louis-Pierre; Zheludev, Andrey

    2015-03-01

    Inelastic neutron scattering is used to study the finite-temperature scaling behavior of spin correlations at the quantum critical point in an experimental realization of the one-dimensional Ising model in a transverse field. The target compound is the well-characterized, anisotropic and bond-alternating Heisenberg spin-1 chain material NTENP. The validity and the limitations of the dynamic structure factor scaling are tested, discussed and compared to theoretical predictions. For this purpose neutron data have been collected on the three-axes spectrometers IN14 at ILL and FLEXX at HZB as well as on the time of flight multi-chopper spectrometer LET at ISIS. In addition to the general statement about quantum criticality and universality, present study also reveals new insight into the properties of the spin chain compound NTENP in particular.

  20. Elasto-plastic coupled temperature-displacement finite element analysis of two-dimensional rolling-sliding contact with a translating heat source

    NASA Technical Reports Server (NTRS)

    Rubin, C. A.; Hahn, G. T.; Kulkarni, S. M.

    1991-01-01

    The present paper describes a transient translating elastoplastic thermomechanical finite element model to study two-dimensional frictional rolling contact. Frictional two-dimensional contact is simulated by repeatedly translating a nonuniform thermomechanical distribution across the surface of an elastoplastic half space. The half space is represented by a two-dimensional finite element mesh with appropriate boundaries. Calculations are for an elastic-perfectly plastic material and the selected thermophysical properties are assumed to be temperature independent. The paper presents temperature variations, stress and plastic strain distributions and deformations. Residual tensile stresses are observed. The magnitude and depth of these stresses depends on (1) the temperature gradients and (2) the magnitudes of the normal and tangential tractions.

  1. Temperature Dependent Electrical Properties of PZT Wafer

    NASA Astrophysics Data System (ADS)

    Basu, T.; Sen, S.; Seal, A.; Sen, A.

    2016-04-01

    The electrical and electromechanical properties of lead zirconate titanate (PZT) wafers were investigated and compared with PZT bulk. PZT wafers were prepared by tape casting technique. The transition temperature of both the PZT forms remained the same. The transition from an asymmetric to a symmetric shape was observed for PZT wafers at higher temperature. The piezoelectric coefficient (d 33) values obtained were 560 pc/N and 234 pc/N, and the electromechanical coupling coefficient (k p) values were 0.68 and 0.49 for bulk and wafer, respectively. The reduction in polarization after fatigue was only ~3% in case of PZT bulk and ~7% for PZT wafer.

  2. A refined finite element analysis on the vibrational properties of ideal and degenerated carbon nanostructures

    NASA Astrophysics Data System (ADS)

    Imani Yengejeh, Sadegh; Kazemi, Seyedeh Alieh; Ivasenko, Oleksandr; Öchsner, Andreas

    2016-04-01

    Different types of degenerated nanostructures were simulated and their eigenfrequencies and corresponding eigenmodes were evaluated by applying the well-established finite element method. In addition, the structural and vibrational stability of these nanoparticles was examined under the influence of microscopic modifications. For this purpose, four common types of atomic defects (i.e. different types of vacancy defects, perturbation, pentagon-heptagon pair defect and chemical doping) were introduced to the finite element models and their vibrational properties were obtained and finally compared to those of perfect, i.e. defect-free, structures. The detailed geometry around a defected area was calculated based on density functional theory and implemented in the finite element model. Based on the results, it was shown that all these structural modifications changes the natural frequency and as a result, reduce the vibrational stability of degenerated nano-materials.

  3. Finite-temperature effective boundary theory of the quantized thermal Hall effect

    NASA Astrophysics Data System (ADS)

    Nakai, Ryota; Ryu, Shinsei; Nomura, Kentaro

    2016-02-01

    A finite-temperature effective free energy of the boundary of a quantized thermal Hall system is derived microscopically from the bulk two-dimensional Dirac fermion coupled with a gravitational field. In two spatial dimensions, the thermal Hall conductivity of fully gapped insulators and superconductors is quantized and given by the bulk Chern number, in analogy to the quantized electric Hall conductivity in quantum Hall systems. From the perspective of effective action functionals, two distinct types of the field theory have been proposed to describe the quantized thermal Hall effect. One of these, known as the gravitational Chern-Simons action, is a kind of topological field theory, and the other is a phenomenological theory relevant to the Strěda formula. In order to solve this problem, we derive microscopically an effective theory that accounts for the quantized thermal Hall effect. In this paper, the two-dimensional Dirac fermion under a static background gravitational field is considered in equilibrium at a finite temperature, from which an effective boundary free energy functional of the gravitational field is derived. This boundary theory is shown to explain the quantized thermal Hall conductivity and thermal Hall current in the bulk by assuming the Lorentz symmetry. The bulk effective theory is consistently determined via the boundary effective theory.

  4. The Casimir Effect at Finite Temperature in a Six-Dimensional Vortex Scenario

    NASA Astrophysics Data System (ADS)

    Cheng, Hongbo

    2016-03-01

    The Casimir effect for parallel plates satisfying the Dirichlet boundary condition in the context of effective QED coming from a six-dimensional Nielsen-Olesen vortex solution of the Abelian Higgs model with fermions coupled to gravity is studied at finite temperature. We find that the sign of the Casimir energy remains negative under the thermal influence. It is also shown that the Casimir force between plates will be weaker in the higher-temperature surroundings while keeps attractive. This Casimir effect involving the thermal influence is still inconsistent with the known experiments. We find that the thermal correction can not compensate or even reduce the modification from this kind of vortex model to make the Casimir force to be in less conflict with the measurements.

  5. Bloch-Nordsieck thermometers: one-loop exponentiation in finite temperature QED

    NASA Astrophysics Data System (ADS)

    Gupta, Sourendu; Indumathi, D.; Mathews, Prakash; Ravindran, V.

    1996-02-01

    We study the scattering of hard external particles in a heat bath in a real-time formalism for finite temperature QED. We investigate the distribution of the 4-momentum difference of initial and final hard particles in a fully covariant manner when the scale of the process, Q, is much larger than the temperature, T. Our computations are valid for all T subject to this constraint. We exponentiate the leading infra-red term at one-loop order through a resummation of soft (thermal) photon emissions and absorptions. For T > 0, we find that tensor structures arise which are not present at T = 0. These cant' thermal signatures. As a result, external particles can serve as thermometers introduced into the heat bath. We investigate the phase space origin of log( Q/ m) and log ( Q/ T) teens.

  6. Gluon scattering in N = 4 Super Yang-Mills at finite temperature

    SciTech Connect

    Ito, Katsushi; Iwasaki, Koh; Nastase, Horatiu

    2008-11-23

    We extend the AdS/CFT prescription of Alday and Maldacena to finite temperature T, defining an amplitude for gluon scattering in N = 4 Super Yang-Mills at strong coupling from string theory. It is defined by a lightlike 'Wilson loop' living at the horizon of the T-dual to the black hole in AdS space. Unlike the zero temperature case, this is different from the Wilson loop contour defined at the boundary of the AdS black hole metric, thus at nonzero T there is no relation between gluon scattering amplitudes and the Wilson loop. We calculate a gauge theory observable that can be interpreted as the amplitude at strong coupling in both cut-off and generalized dimensional regularization.

  7. Drude weight in hard-core boson systems: Possibility of a finite-temperature ideal conductor

    NASA Astrophysics Data System (ADS)

    Majumder, Gourab; Garg, Arti

    2016-10-01

    We calculate the Drude weight in the superfluid (SF) and supersolid (SS) phases of the hard-core boson (HCB) model on a square lattice using stochastic series expansion (SSE). We demonstrate from our numerical calculations that the normal phase of HCBs in two dimensions can be an ideal conductor with dissipationless transport. In two dimensions, when the ground state is a SF, the superfluid stiffness drops to zero with a Kosterlitz-Thouless type transition at TKT. The Drude weight, though is equal to the stiffness below TKT, surprisingly, stays finite even for a range of temperatures above TKT indicating the nondissipative transport in the normal state of this system. In contrast to this, in a three-dimensional SF phase, where the superfluid stiffness goes to zero continuously via a second-order phase transition at Tc, the Drude weight goes to zero at Tc, as expected. We also calculated the Drude weight in a two-dimensional SS phase, where the charge density wave (CDW) order coexists with superfluidity. For the SS phase we studied, superfluidity is lost via a Kosterlitz-Thouless transition at TKT and the transition temperature for the CDW order is larger than TKT. In striped SS phase where the CDW order breaks the rotational symmetry of the lattice, the system behaves like an ideal conductor for a range of temperatures above TKT along the lattice direction parallel to the stripes, while along the direction perpendicular to the stripes it behaves like an insulator for all T >TKT . In contrast to this, in the star-SS phase, the Drude weight along both lattice directions goes to zero along with the superfluid stiffness and for T >TKT we have the finite temperature phase of a CDW insulator.

  8. Thermoelectric properties by high temperature annealing

    NASA Technical Reports Server (NTRS)

    Ren, Zhifeng (Inventor); Chen, Gang (Inventor); Kumar, Shankar (Inventor); Lee, Hohyun (Inventor)

    2009-01-01

    The present invention generally provides methods of improving thermoelectric properties of alloys by subjecting them to one or more high temperature annealing steps, performed at temperatures at which the alloys exhibit a mixed solid/liquid phase, followed by cooling steps. For example, in one aspect, such a method of the invention can include subjecting an alloy sample to a temperature that is sufficiently elevated to cause partial melting of at least some of the grains. The sample can then be cooled so as to solidify the melted grain portions such that each solidified grain portion exhibits an average chemical composition, characterized by a relative concentration of elements forming the alloy, that is different than that of the remainder of the grain.

  9. An inverse finite element algorithm to identify constitutive properties using dumb-bell miniature specimen

    NASA Astrophysics Data System (ADS)

    Partheepan, G.; Sehgal, D. K.; Pandey, R. K.

    2006-12-01

    An inverse finite element algorithm is established to extract the tensile constitutive properties such as Young's modulus, yield strength and true stress-true strain diagram of a material in a virtually non-destructive manner. Standard test methods for predicting mechanical properties require the removal of large size material samples from the in-service component, which is impractical. To circumvent this situation, a new dumb-bell shaped miniature specimen has been designed and fabricated which can be used for evaluation of properties for a material or component. Also test fixtures were developed to perform a tension test on this proposed miniature specimen in a testing machine. The studies have been conducted in low carbon steel, die steel and medium carbon steel. The output from the miniature test, namely, load-elongation diagram, is obtained and used for the proposed inverse finite element algorithm to find the material properties. Inverse finite element modelling is carried out using a 2D plane stress analysis. The predicted results are found to be in good agreement with the experimental results.

  10. Determination of poroelastic properties of cartilage using constrained optimization coupled with finite element analysis.

    PubMed

    Chung, Chen-Yuan; Mansour, Joseph M

    2015-02-01

    The feasibility of determining biphasic material properties using a finite element model of stress relaxation coupled with two types of constrained optimization to match measured data was investigated. Comparison of these two approaches, a zero-order method and a gradient-based algorithm, validated the predicted material properties. Optimizations were started from multiple different initial guesses of material properties (design variables) to establish the robustness of the optimization. Overall, the optimal values are close to those found by Cohen et al. (1998) but these small differences produced a marked improvement in the fit to the measured stress relaxation. Despite the greater deviation in the optimized values obtained from the zero-order method, both optimization procedures produced material properties that gave equally good overall fits to the measured data. Furthermore, optimized values were all within the expected range of material properties. Modeling stress relaxation using the optimized material properties showed an excellent fit to the entire time history of the measured data.

  11. Comparison of Experimentally Measured Temperature Gradient and Finite-Element-Method Simulations for Two Continuously Cast Bloom Heating Strategies

    NASA Astrophysics Data System (ADS)

    Kvíčala, M.; Frydrýšek, K.; Štamborská, M.

    2015-03-01

    This paper deals with the comparison of experimentally measured temperature gradients and finite-element-method (FEM) simulations of two heating strategies that were used for continuously cast bloom soaking. The temperature gradient between the bloom surface and center was measured by two thermocouples incorporated directly into the bloom. Scanning electron microscopy equipped by energy dispersive X-ray spectroscopy analysis, hot tensile tests, and interdendritic solidification software was used for modeling of steel thermophysical properties with respect to the alloying-elements macrosegregation. The model of the bloom was programmed in the Fortran language. The FEM software MARC/MENTAT 2012 was used for simulation of two heating strategies (plane strain formulation). The first heating model was fitted to the commonly used heating strategy when internal defects grew above the critical limit. The second heating model was a newly proposed strategy that consisted of slower heating up to 1073 K when the first warming-through period occurred. The FEM simulations included determinations of the temperature gradient, the equivalent of stress, the equivalent of elastic strain, the equivalent of plastic strain, and the equivalent of total strain. The simulation results were in good agreement with experimental observations. The new heating strategy based on the FEM simulations led to significantly lower occurrence of internal defects in hot-rolled billets that are used for cylinder production.

  12. Properties of finite difference models of non-linear conservative oscillators

    NASA Technical Reports Server (NTRS)

    Mickens, R. E.

    1988-01-01

    Finite-difference (FD) approaches to the numerical solution of the differential equations describing the motion of a nonlinear conservative oscillator are investigated analytically. A generalized formulation of the Duffing and modified Duffing equations is derived and analyzed using several FD techniques, and it is concluded that, although it is always possible to contstruct FD models of conservative oscillators which are themselves conservative, caution is required to avoid numerical solutions which do not accurately reflect the properties of the original equation.

  13. Abelian spatial string tension in finite temperature SU(2) gauge theory

    NASA Astrophysics Data System (ADS)

    Sekiguchi, Takashige; Ishiguro, Katsuya

    2016-09-01

    We investigate Abelian and monopole contributions to spatial string tension in the deconfined phase of finite temperature SU(2) gauge theory without imposing any gauge fixing conditions. Lattice calculations of non-Abelian and Abelian spatial string tensions from the Wilson action at gauge coupling β = 2.74 and lattice volume 243 × N t (Nt = {24, 8, 6, 4, 2}) show that these string tensions agree with each other within error bars at any adopted value of Nt, which implies Abelian dominance. From measurements of non-Abelian, Abelian and monopole forces that arise from the corresponding spatial string tension, furthermore, we find the tendency that the monopole contribution to the spatial string tension can be almost as large as the non-Abelian and Abelian ones. The temperature dependence of the calculated non-Abelian and Abelian spatial string tensions allows us to conclude that the concept of dimensional reduction holds both for non-Abelian and Abelian sectors at temperatures higher than twice the critical temperature.

  14. Finite-temperature electron correlations in the framework of a dynamic local-field correction

    SciTech Connect

    Schweng, H.K.; Boehm, H.M. )

    1993-07-15

    The quantum-mechanical version of the Singwi-Tosi-Land-Sjoelander (STLS) approximation is applied to finite temperatures. This approximation has two main advantages. First, it includes a dynamic local-field correction and second, it gives positive values for the pair-distribution function in the short-range region at zero temperature. This is even valid for rather low densities. After a description of the numerical difficulties arising with the use of a dynamic approximation, the results for the static-structure factor and the pair-distribution function are discussed thoroughly. Detailed work is performed on the static part of the local-field correction, with special emphasis put on the investigation of its structure. A peak is found at a wave vector [ital q][approx]2.8 (in units of the Fermi wave vector) for small temperatures, which tends towards higher values of [ital q] with increasing temperature. This peak causes an attractive particle-hole interaction in a certain [ital q] region and thus gives rise to the appearance of a charge-density wave. A parametric description is given for the static local-field correction in order to simplify further applications. Furthermore, the exchange-and-correlation free energy is considered. The results are compared with the STLS results and with the modified convolution approach.

  15. Entanglement dynamics in Heisenberg spin chains coupled to a dissipative environment at finite temperature

    NASA Astrophysics Data System (ADS)

    Sadiek, Gehad; Almalki, Samaher

    2016-07-01

    We consider a finite one-dimensional Heisenberg XYZ spin chain under the influence of a dissipative Lindblad environment obeying the Born-Markovian constraint in presence of an external magnetic field with closed and open boundary conditions. We present an exact numerical solution for the Lindblad master equation of the system in the Liouville space. The dynamics and asymptotic behavior of the nearest-neighbor and beyond-nearest-neighbor pairwise entanglements in the system are investigated under the effect of spatial anisotropy, temperature, system size, and different initial states. The entanglements in the free spin system exhibit nonuniform oscillatory behavior that varies significantly depending on the system size, anisotropy, and initial state. The x y spatial anisotropy dictates the asymptotic behavior of the different entanglements in the system under the influence of the environment regardless of the initial state. Higher anisotropy yields higher steady-state value of the nearest-neighbor entanglement whereas a complete isotropy wipes it out. The longer range entanglements respond differently to the anisotropy variation. The anisotropy in the z direction may enhance the entanglements depending on the interplay with the magnetic field applied in the same direction. As the temperature is raised, the steady state of the short-range entanglements is found to be robust within very small nonzero temperature range that depends critically on the spatial anisotropy. Moreover, the end to end entanglement transfer time and speed through the open boundary chain vary considerably based on the degree of anisotropy and temperature of the environment.

  16. Elastic and Piezoelectric Properties of Boron Nitride Nanotube Composites. Part II; Finite Element Model

    NASA Technical Reports Server (NTRS)

    Kim, H. Alicia; Hardie, Robert; Yamakov, Vesselin; Park, Cheol

    2015-01-01

    This paper is the second part of a two-part series where the first part presents a molecular dynamics model of a single Boron Nitride Nanotube (BNNT) and this paper scales up to multiple BNNTs in a polymer matrix. This paper presents finite element (FE) models to investigate the effective elastic and piezoelectric properties of (BNNT) nanocomposites. The nanocomposites studied in this paper are thin films of polymer matrix with aligned co-planar BNNTs. The FE modelling approach provides a computationally efficient way to gain an understanding of the material properties. We examine several FE models to identify the most suitable models and investigate the effective properties with respect to the BNNT volume fraction and the number of nanotube walls. The FE models are constructed to represent aligned and randomly distributed BNNTs in a matrix of resin using 2D and 3D hollow and 3D filled cylinders. The homogenisation approach is employed to determine the overall elastic and piezoelectric constants for a range of volume fractions. These models are compared with an analytical model based on Mori-Tanaka formulation suitable for finite length cylindrical inclusions. The model applies to primarily single-wall BNNTs but is also extended to multi-wall BNNTs, for which preliminary results will be presented. Results from the Part 1 of this series can help to establish a constitutive relationship for input into the finite element model to enable the modeling of multiple BNNTs in a polymer matrix.

  17. On a strong dense periodicity property of shifts of finite type

    SciTech Connect

    Dzul-Kifli, Syahida Che; Al-Muttairi, Hassan

    2015-10-22

    There are various definitions of chaotic dynamical systems. The most utilized definition of chaos is Devaney chaos which isolates three components as being the essential features of chaos; transitivity, dense periodic points and sensitive dependence on initial conditions. In this paper, we focus on a strong dense periodicity property i.e. the set of points with prime period at least n is dense for each n. On shift of finite type over two symbols Σ{sub 2}, we show that the strong dense periodicity property implies another strong chaotic notions; locally everywhere onto (also called exact) and totally transitive.

  18. Indentation testing and optimized property identification for viscoelastic materials using the finite element method

    NASA Astrophysics Data System (ADS)

    Resapu, Rajeswara Reddy

    The most common approaches to determining mechanical material properties of materials are tension and compression tests. However, tension and compression testing cannot be implemented under certain loading conditions (immovable object, not enough space to hold object for testing, etc). Similarly, tensile and compression testing cannot be performed on certain types of materials (delicate, bulk, non-machinable, those that cannot be separated from a larger structure, etc). For such cases, other material testing methods need to be implemented. Indentation testing is one such method; this approach is often non-destructive and can be used to characterize regions that are not compatible with other testing methods. However, indentation testing typically leads to force-displacement data as opposed to the direct stress-strain data normally used for the mechanical characterization of materials; this data needs to be analyzed using a suitable approach to determine the associated material properties. As such, methods to establish material properties from force-displacement indentation data need to be identified. In this work, a finite element approach using parameter optimization is developed to determine the mechanical properties from the experimental indentation data. Polymers and tissues tend to have time-dependent mechanical behavior; this means that their mechanical response under load changes with time. This dissertation seeks to characterize the properties of these materials using indentation testing under the assumption that they are linear viscoelastic. An example of a material of interest is the polymer poly vinyl chloride (PVC) that is used as the insulation of some aircraft wiring. Changes in the mechanical properties of this material over years of service can indicate degradation and a potential hazard to continued use. To investigate the validity of using indentation testing to monitor polymer insulation degradation, PVC film and PVC-insulated aircraft wiring are

  19. Dynamical Hartree-Fock-Bogoliubov theory of vortices in Bose-Einstein condensates at finite temperature

    SciTech Connect

    Wild, B. G.; Hutchinson, D. A. W.

    2011-06-15

    We present a method utilizing the continuity equation for the condensate density to make predictions of the precessional frequency of single off-axis vortices and of vortex arrays in Bose-Einstein condensates at finite temperature. We also present an orthogonalized Hartree-Fock-Bogoliubov (HFB) formalism. We solve the continuity equation for the condensate density self-consistently with the orthogonalized HFB equations and find stationary solutions in the frame rotating at this frequency. As an example of the utility of this formalism we obtain time-independent solutions for quasi-two-dimensional rotating systems in the corotating frame. We compare these results with time-dependent predictions where we simulate stirring of the condensate.

  20. Nonequilibrium dynamics of vortex arrest in a finite-temperature Bose-Einstein condensate

    SciTech Connect

    Wright, T. M.; Bradley, A. S.; Ballagh, R. J.

    2010-01-15

    We perform finite-temperature dynamical simulations of the arrest of a rotating Bose-Einstein condensate by a fixed trap anisotropy, using a Hamiltonian classical-field method. We consider a quasi-two-dimensional condensate containing a single vortex in equilibrium with a rotating thermal cloud. Introducing an elliptical deformation of the trapping potential leads to the loss of angular momentum from the system. We identify the condensate and the complementary thermal component of the nonequilibrium field and compare the evolution of their angular momenta and angular velocities. By varying the trap anisotropy we alter the relative efficiencies of the vortex-cloud and cloud-trap coupling. For strong trap anisotropies the angular momentum of the thermal cloud may be entirely depleted before the vortex begins to decay. For weak trap anisotropies, the thermal cloud exhibits a long-lived steady state in which it rotates at an intermediate angular velocity.

  1. Efficient method for predicting crystal structures at finite temperature: variable box shape simulations.

    PubMed

    Filion, Laura; Marechal, Matthieu; van Oorschot, Bas; Pelt, Daniël; Smallenburg, Frank; Dijkstra, Marjolein

    2009-10-30

    We present an efficient and robust method based on Monte Carlo simulations for predicting crystal structures at finite temperature. We apply this method, which is surprisingly easy to implement, to a variety of systems, demonstrating its effectiveness for hard, attractive, and anisotropic interactions, binary mixtures, semi-long-range soft interactions, and truly long-range interactions where the truly long-range interactions are treated using Ewald sums. In the case of binary hard-sphere mixtures, star polymers, and binary Lennard-Jones mixtures, the crystal structures predicted by this algorithm are consistent with literature, providing confidence in the method. Finally, we predict new crystal structures for hard asymmetric dumbbell particles, bowl-like particles and hard oblate cylinders and present the phase diagram for the oblate cylinders based on full free energy calculations. PMID:19905838

  2. Heavy Quark Potential at Finite Temperature in AdS/CFT

    NASA Astrophysics Data System (ADS)

    Albacete, Javier L.

    2009-11-01

    A calculation of the heavy quark potential at finite temperature at strong coupling based on the AdS/CFT correspondence is presented. The calculation relies on the method of complex string trajectories previously introduced in [Javier L. Albacete, Yuri V. Kovchegov, And Anastasios Taliotis. JHEP, 07:074, 2008], and on the introduction of a modified renormalization subtraction. The obtained potential is smooth, negative definite for all quark-antiquark separations, and develops an imaginary part for r>r=0.870/πT. At large separations the real part of the potential does not exhibit the exponential Debye falloff expected from perturbation theory and instead falls off as a power law, proportional to 1/r4.

  3. Formation of Vortex Lattices in Superfluid Bose Gases at Finite Temperatures

    NASA Astrophysics Data System (ADS)

    Arahata, E.; Nikuni, T.

    2016-05-01

    We study the dynamics of a rotating trapped Bose-Einstein condensate (BEC) at finite temperatures. Using the Zaremba-Nikuni-Griffin formalism, based on a generalized Gross-Pitaevskii equation for the condensate coupled to a semiclassical kinetic equation for a thermal cloud, we numerically simulate vortex lattice formation in the presence of a time-dependent rotating trap potential. At low rotation frequency, the thermal cloud undergoes rigid body rotation, while the condensate exhibits irrotational flow. Above a certain threshold rotation frequency, vortices penetrate into the condensate and form a vortex lattice. Our simulation result clearly indicates a crucial role for the thermal cloud, which triggers vortex lattice formation in the rotating BEC.

  4. Accurate force fields and methods for modelling organic molecular crystals at finite temperatures.

    PubMed

    Nyman, Jonas; Pundyke, Orla Sheehan; Day, Graeme M

    2016-06-21

    We present an assessment of the performance of several force fields for modelling intermolecular interactions in organic molecular crystals using the X23 benchmark set. The performance of the force fields is compared to several popular dispersion corrected density functional methods. In addition, we present our implementation of lattice vibrational free energy calculations in the quasi-harmonic approximation, using several methods to account for phonon dispersion. This allows us to also benchmark the force fields' reproduction of finite temperature crystal structures. The results demonstrate that anisotropic atom-atom multipole-based force fields can be as accurate as several popular DFT-D methods, but have errors 2-3 times larger than the current best DFT-D methods. The largest error in the examined force fields is a systematic underestimation of the (absolute) lattice energy.

  5. Quasiparticle theory of transport coefficients for hadronic matter at finite temperature and baryon density

    NASA Astrophysics Data System (ADS)

    Albright, M.; Kapusta, J. I.

    2016-01-01

    We develop a flexible quasiparticle theory of transport coefficients of hot hadronic matter at finite baryon density. We begin with a hadronic quasiparticle model which includes a scalar and a vector mean field. Quasiparticle energies and the mean fields depend on temperature and baryon chemical potential. Starting with the quasiparticle dispersion relation, we derive the Boltzmann equation and use the Chapman-Enskog expansion to derive formulas for the shear and bulk viscosities and thermal conductivity. We obtain both relaxation-time approximation formulas and more general integral equations. Throughout the work, we explicitly enforce the Landau-Lifshitz conditions of fit and ensure the theory is thermodynamically self-consistent. The derived formulas should be useful for predicting the transport coefficients of the hadronic phase of matter produced in heavy-ion collisions at the Relativistic Heavy Ion Collider and at other accelerators.

  6. Finite temperature studies of Te adsorption on Si(0 0 1)

    NASA Astrophysics Data System (ADS)

    Sen, Prasenjit; Ciraci, S.; Batra, Inder P.; Grein, C. H.; Sivananthan, S.

    2002-11-01

    We perform first principles density functional calculations to investigate the adsorption of Te on the Si(0 0 1) surface from low coverage up to a monolayer coverage. At low coverage, a Te atom is adsorbed on top of the Si surface dimer bond. At higher coverages, Te atoms adsorption causes the Si-Si dimer bond to break, lifting the (2×1) reconstruction. We find no evidence of the Te-Te dimer bond formation as a possible source of the (2×1) reconstruction at a monolayer coverage. Finite temperature ab initio molecular dynamics calculations show that Te covered Si(0 0 1) surfaces do not have any definitive reconstruction. Vibrations of the bridged Te atoms in the strongly anharmonic potentials prevent the reconstruction structure from attaining any permanent, two-dimensional periodic geometry. This explains why experiments attempting to find a definite model for the reconstruction reached conflicting conclusions.

  7. Induced fermionic current by a magnetic flux in a cosmic string spacetime at finite temperature

    NASA Astrophysics Data System (ADS)

    Bezerra de Mello, Eugênio R.; Saharian, Aram A.; Mohammadi, Azadeh

    2016-01-01

    Here we analyze the finite temperature expectation values of the charge and current densities for a massive fermionic quantum field with nonzero chemical potential μ, induced by a magnetic flux running along the axis of an idealized cosmic string. These densities are decomposed into the vacuum expectation values and contributions coming from the particles and antiparticles. Specifically the charge density is an even periodic function of the magnetic flux with the period equal to the quantum flux and an odd function of the chemical potential. The only nonzero component of the current density corresponds to the azimuthal current and it is an odd periodic function of the magnetic flux and an even function of the chemical potential. Both analyzed are developed for the cases where |μ| is smaller than the mass of the field quanta m.

  8. Finite element analysis and simulation of rheological properties of bulk molding compound (BMC)

    NASA Astrophysics Data System (ADS)

    Ergin, M. Fatih; Aydin, Ismail

    2013-12-01

    Bulk molding compound (BMC) is one of the important composite materials with various engineering applications. BMC is a thermoset plastic resin blend of various inert fillers, fiber reinforcements, catalysts, stabilizers and pigments that form a viscous, molding compound. Depending on the end-use application, bulk molding compounds are formulated to achieve close dimensional control, flame and scratch resistance, electrical insulation, corrosion and stain resistance, superior mechanical properties, low shrink and color stability. Its excellent flow characteristics, dielectric properties, and flame resistance make this thermoset material well-suited to a wide variety of applications requiring precision in detail and dimensions as well as high performance. When a BMC is used for these purposes, the rheological behavior and properties of the BMC is the main concern. In this paper, finite element analysis of rheological properties of bulk molding composite material was studied. For this purpose, standard samples of composite material were obtained by means of uniaxial hot pressing. 3 point flexural tests were then carried out by using a universal testing machine. Finite element analyses were then performed with defined material properties within a specific constitutive material behavior. Experimental and numerical results were then compared. Good correlation between the numerical simulation and the experimental results was obtained. It was expected with this study that effects of various process parameters and boundary conditions on the rheological behavior of bulk molding compounds could be determined by means of numerical analysis without detailed experimental work.

  9. Cationic Methylene-Pyrene Isomers and Isomerization Pathways: Finite Temperature Theoretical Studies.

    PubMed

    Rapacioli, Mathias; Simon, Aude; Marshall, Charlotte C M; Cuny, Jérôme; Kokkin, Damian; Spiegelman, Fernand; Joblin, Christine

    2015-12-24

    This paper provides spectral characterizations of the two isomers of the 1-methylenepyrene cation, namely, the 1-pyrenemethylium and a pyrene-like isomer owing a tropylium cycle. Both are possible photodissociation products of the 1-methylpyrene cation and were proposed as potential contributors to the diffuse interstellar bands. In that respect, vibrational and electronic spectra are computed for the optimized structures at the density functional theory (DFT) and time-dependent (TD-)DFT levels. Finite temperature effects on these spectra are estimated from molecular dynamics simulations within the density functional-based tight-binding (DFTB) and TD-DFTB frameworks, these methods being first benchmarked against DFT and TD-DFT calculations. The computed spectra allow discrimination of the two isomers. When the temperature increases, bands are observed to redshift and merge. The isomerization mechanism is investigated with the metadynamics technique, a biased dynamics scheme allowing to probe reaction mechanisms with high energy barriers by investigating the free energy surface at various temperatures. Four pathways with similar barrier heights (3.5-4 eV) are found, showing that the interconversion process would only occur in interstellar clouds under photoactivation. The present study opens the way to simulations on larger methyl- and methylenePAHs of astrophysical interest and their experimental investigation.

  10. Cationic Methylene-Pyrene Isomers and Isomerization Pathways: Finite Temperature Theoretical Studies.

    PubMed

    Rapacioli, Mathias; Simon, Aude; Marshall, Charlotte C M; Cuny, Jérôme; Kokkin, Damian; Spiegelman, Fernand; Joblin, Christine

    2015-12-24

    This paper provides spectral characterizations of the two isomers of the 1-methylenepyrene cation, namely, the 1-pyrenemethylium and a pyrene-like isomer owing a tropylium cycle. Both are possible photodissociation products of the 1-methylpyrene cation and were proposed as potential contributors to the diffuse interstellar bands. In that respect, vibrational and electronic spectra are computed for the optimized structures at the density functional theory (DFT) and time-dependent (TD-)DFT levels. Finite temperature effects on these spectra are estimated from molecular dynamics simulations within the density functional-based tight-binding (DFTB) and TD-DFTB frameworks, these methods being first benchmarked against DFT and TD-DFT calculations. The computed spectra allow discrimination of the two isomers. When the temperature increases, bands are observed to redshift and merge. The isomerization mechanism is investigated with the metadynamics technique, a biased dynamics scheme allowing to probe reaction mechanisms with high energy barriers by investigating the free energy surface at various temperatures. Four pathways with similar barrier heights (3.5-4 eV) are found, showing that the interconversion process would only occur in interstellar clouds under photoactivation. The present study opens the way to simulations on larger methyl- and methylenePAHs of astrophysical interest and their experimental investigation. PMID:26600076

  11. Finite-temperature excitations of a trapped Bose-Fermi mixture

    SciTech Connect

    Liu, Xia-Ji; Hu, Hui

    2003-09-01

    We present a detailed study of the low-lying collective excitations of a spherically trapped Bose-Fermi mixture at finite temperature in the collisionless regime. The excitation frequencies of the condensate are calculated self-consistently using the static Hartree-Fock-Bogoliubov theory within the Popov approximation. The frequency shifts and damping rates due to the coupled dynamics of the condensate, noncondensate, and degenerate Fermi gas are also taken into account by means of the random-phase approximation and linear-response theory. In our treatment, the dipole excitation remains close to the bare trapping frequency for all temperatures considered, and thus is consistent with the generalized Kohn theorem. We discuss in some detail the behavior of monopole and quadrupole excitations as a function of the Bose-Fermi coupling. At nonzero temperatures we find that, as the mixture moves towards spatial separation with increasing Bose-Fermi coupling, the damping rate of the monopole (quadrupole) excitation increases (decreases). This provides us a useful signature to identify the phase transition of spatial separation.

  12. Motion of a single hole in a quantum antiferromagnet at finite temperatures

    SciTech Connect

    Igarashi, J. ); Fulde, P. )

    1993-07-01

    Motion of a single hole is studied at finite temperatures in the [ital t]-[ital J] model on a slave-fermion Schwinger-boson representation. The spin fluctuation is treated with the mean-field theory of Arovas and Auerbach. The Green's function for the slave fermion is calculated within the self-consistent Born approximation. A sharp quasiparticle peak is found to be separated from a broad spectrum of incoherence in the spectral function for low temperatures. The Green's function for the physical hole is calculated by taking account of the multiple scattering between the slave fermion and the Schwinger boson. A bound state of the slave fermion and the Schwinger boson is found at low temperatures, suggesting that the spin and the charge cannot be separated into a simple form. The energy of the bound state is minimized at momenta ([plus minus][pi]/2, [plus minus][pi]/2), indicating that a small pocketlike Fermi surface is formed around the momenta for low concentrations of dopant holes.

  13. Topological edge Mott insulating state in two dimensions at finite temperatures: Bulk and edge analysis

    NASA Astrophysics Data System (ADS)

    Yoshida, Tsuneya; Kawakami, Norio

    2016-08-01

    We study a bilayer Kane-Mele-Hubbard model with lattice distortion and interlayer spin exchange interaction under cylinder geometry. Our analysis based on real-space dynamical mean field theory with continuous-time quantum Monte Carlo demonstrates the emergence of a topological edge Mott insulating (TEMI) state which hosts gapless edge modes only in collective spin excitations. This is confirmed by the numerical calculations at finite temperatures for the spin-Hall conductivity and the single-particle excitation spectrum; the spin-Hall conductivity is almost quantized, σspinx y˜2 (e /2 π ) , predicting gapless edge modes carrying the spin current, while the helical edge modes in the single-particle spectrum are gapped out with respecting symmetry. It is clarified how the TEMI state evolves from the ordinary spin-Hall insulating state with increasing the Hubbard interaction at a given temperature and then undergoes a phase transition to a trivial Mott insulating state. With a bosonization approach at zero temperature, we further address which collective modes host gapless edge modes in the TEMI state.

  14. Finite element modal formulation for panel flutter at hypersonic speeds and elevated temperatures

    NASA Astrophysics Data System (ADS)

    Cheng, Guanfeng

    A finite element time domain modal formulation for analyzing flutter behavior of aircraft surface panels in hypersonic airflow has been developed and presented for the first time. Von Karman large deflection plate theory is used for description of the structural nonlinearity and third order piston theory is employed to account for the aerodynamic nonlinearity. The thermal loadings of uniformly distributed temperature and temperature gradients across the panel thickness are incorporated into the finite element formulation. By applying the modal reduction technique, the number of governing equations of motion is reduced dramatically so that the computational time of direct numerical integration is dropped significantly. All possible types of panel behavior, including flat, buckled but dynamically stable, limit cycle oscillation (LCO), periodic motion, and chaotic motion can be observed and analyzed. As examples of the applications of the proposed methodology, flutter responses of isotropic, specially orthotropic and laminated composite panels are investigated. Special emphasis is put on the boundary between LCO and chaos, as well as the routes to chaos. A systematic mode filtering procedure that helps mode selection without specific knowledge of the complex mode shapes is presented and illustrated. Influences of aerodynamic parameters, including aerodynamic damping and Mach number, on the panel flutter responses are studied. The importance of nonlinear aerodynamic terms is examined in detail. The supporting conditions and panel aspect ratio on the onset condition of chaos are also investigated as an illustration of optimization among different design options. Several mathematical tools, including the time history, phase plane plot, Poincare map, and bifurcation diagram are employed in the chaos study. The largest Lyapunov exponent is also evaluated to assist in detection of chaos. It is found that at low or moderately high nondimensional dynamic pressures, the

  15. Finite Element Analysis of Deformation Due to Ball Indentation and Evaluation of Tensile Properties of Tempered P92 Steel

    NASA Astrophysics Data System (ADS)

    Barbadikar, Dipika R.; Ballal, A. R.; Peshwe, D. R.; Mathew, M. D.

    2015-08-01

    Ball indentation (BI) technique has been effectively used to evaluate the tensile properties with minimal volume of material. In the present investigation, BI test carried out on P92 steel (9Cr-0.5Mo-1.8W), using 0.76 mm diameter silicon nitride ball indenter was modeled using finite element (FE) method and analyzed. The effect of test temperature [300 K and 923 K (27 °C and 650 °C)], tempering temperature [1013 K, 1033 K, and 1053 K (740 °C, 760 °C, and 780 °C)], and coefficient of friction of steel (0.0 to 0.5) on the tensile strength and material pile-up was investigated. The stress and strain distributions underneath the indenter and along the top elements of the model have been studied to understand the deformation behavior. The tensile strength was found to decrease with increase in tempering and test temperatures. The increased pile-up around the indentation was attributed to the decrease in strain hardening exponent ( n) with increase in the test temperature. The pile-up height determined from profilometry studies and FE analysis as well as the load depth curve from BI and FE analysis was in agreement. The maximum strain location below the indentation changes with the test temperature. Stress-strain curves obtained by conventional tensile, BI test, and representative stress-strain concepts of FE model were found exactly matching.

  16. Determination of mechanical properties from depth-sensing indentation data and results of finite element modeling

    NASA Astrophysics Data System (ADS)

    Isaenkova, M. G.; Perlovich, Yu A.; Krymskaya, O. A.; Zhuk, D. I.

    2016-04-01

    3D finite element model of indentation process with Berkovich tip was created. Using this model with different type of test materials, several series of calculations were made. These calculations lead to determination of material behavior features during indentation. Relations between material properties and its behavior during instrumented indentation were used for construction of dimensionless functions required for development the calculation algorithm, suitable to determine mechanical properties of materials by results of the depth-sensing indentation. Results of mechanical properties determination using elaborated algorithm for AISI 1020 steel grade were compared to properties obtained with standard compression tests. These two results differ by less than 10% for yield stress that evidence of a good accuracy of the proposed technique.

  17. Corneal Viscoelastic Properties from Finite-Element Analysis of In Vivo Air-Puff Deformation

    PubMed Central

    Kling, Sabine; Bekesi, Nandor; Dorronsoro, Carlos; Pascual, Daniel; Marcos, Susana

    2014-01-01

    Biomechanical properties are an excellent health marker of biological tissues, however they are challenging to be measured in-vivo. Non-invasive approaches to assess tissue biomechanics have been suggested, but there is a clear need for more accurate techniques for diagnosis, surgical guidance and treatment evaluation. Recently air-puff systems have been developed to study the dynamic tissue response, nevertheless the experimental geometrical observations lack from an analysis that addresses specifically the inherent dynamic properties. In this study a viscoelastic finite element model was built that predicts the experimental corneal deformation response to an air-puff for different conditions. A sensitivity analysis reveals significant contributions to corneal deformation of intraocular pressure and corneal thickness, besides corneal biomechanical properties. The results show the capability of dynamic imaging to reveal inherent biomechanical properties in vivo. Estimates of corneal biomechanical parameters will contribute to the basic understanding of corneal structure, shape and integrity and increase the predictability of corneal surgery. PMID:25121496

  18. Application of finite element techniques in predicting the acoustic properties of turbofan inlets

    NASA Technical Reports Server (NTRS)

    Majjigi, R. K.; Sigman, R. K.; Zinn, B. T.

    1978-01-01

    An analytical technique was developed for predicting the acoustic performance of turbofan inlets carrying a subsonic axisymmetric steady flow. The finite element method combined with the method of weighted residuals is used in predicting the acoustic properties of variable area, annular ducts with or without acoustic treatments along their walls. An approximate solution for the steady inviscid flow field is obtained using an integral method for calculating the incompressible potential flow field in the inlet with a correction to account for compressibility effects. The accuracy of the finite element technique was assessed by comparison with available analytical solutions for the problems of plane and spinning wave propagation through a hard walled annular cylinder with a constant mean flow.

  19. Finite-temperature collective dynamics of a Fermi gas in the BEC-BCS crossover.

    PubMed

    Wright, M J; Riedl, S; Altmeyer, A; Kohstall, C; Guajardo, E R Sánchez; Denschlag, J Hecker; Grimm, R

    2007-10-12

    We report on experimental studies on the collective behavior of a strongly interacting Fermi gas with tunable interactions and variable temperature. A scissors mode excitation in an elliptical trap is used to characterize the dynamics of the quantum gas in terms of hydrodynamic or near-collisionless behavior. We obtain a crossover phase diagram for collisional properties, showing a large region where a nonsuperfluid strongly interacting gas shows hydrodynamic behavior. In a narrow interaction regime on the BCS side of the crossover, we find a novel temperature-dependent damping peak, suggesting a relation to the superfluid phase transition. PMID:17995145

  20. The Master Equation for Two-Level Accelerated Systems at Finite Temperature

    NASA Astrophysics Data System (ADS)

    Tomazelli, J. L.; Cunha, R. O.

    2016-07-01

    In this work, we study the behaviour of two weakly coupled quantum systems, described by a separable density operator; one of them is a single oscillator, representing a microscopic system, while the other is a set of oscillators which perform the role of a reservoir in thermal equilibrium. From the Liouville-Von Neumann equation for the reduced density operator, we devise the master equation that governs the evolution of the microscopic system, incorporating the effects of temperature via Thermofield Dynamics formalism by suitably redefining the vacuum of the macroscopic system. As applications, we initially investigate the behaviour of a Fermi oscillator in the presence of a heat bath consisting of a set of Fermi oscillators and that of an atomic two-level system interacting with a scalar radiation field, considered as a reservoir, by constructing the corresponding master equation which governs the time evolution of both sub-systems at finite temperature. Finally, we calculate the energy variation rates for the atom and the field, as well as the atomic population levels, both in the inertial case and at constant proper acceleration, considering the two-level system as a prototype of an Unruh detector, for admissible couplings of the radiation field.

  1. Color-flavor locked strange matter and strangelets at finite temperature

    SciTech Connect

    Paulucci, L.; Horvath, J. E.

    2008-12-15

    It is possible that a system composed of up, down, and strange quarks exists as the true ground state of nuclear matter at high densities and low temperatures. This exotic plasma, called strange quark matter (SQM), seems to be even more favorable energetically if quarks are in a superconducting state, the so-called color-flavor locked state. Here we present calculations made on the basis of the MIT bag model, considering the influence of finite temperature on the allowed parameters characterizing the system for stability of bulk SQM (the so-called stability windows) and also for strangelets, small lumps of SQM, both in the color-flavor locking scenario. We compare these results with the unpaired SQM and also briefly discuss some astrophysical implications of them. Also, the issue of the strangelet's electric charge is discussed. The effects of dynamical screening, though important for nonpaired SQM strangelets, are not relevant when considering pairing among all three flavors and colors of quarks.

  2. Weighted reciprocal of temperature, weighted thermal flux, and their applications in finite-time thermodynamics.

    PubMed

    Sheng, Shiqi; Tu, Z C

    2014-01-01

    The concepts of weighted reciprocal of temperature and weighted thermal flux are proposed for a heat engine operating between two heat baths and outputting mechanical work. With the aid of these two concepts, the generalized thermodynamic fluxes and forces can be expressed in a consistent way within the framework of irreversible thermodynamics. Then the efficiency at maximum power output for a heat engine, one of key topics in finite-time thermodynamics, is investigated on the basis of a generic model under the tight-coupling condition. The corresponding results have the same forms as those of low-dissipation heat engines [ M. Esposito, R. Kawai, K. Lindenberg and C. Van den Broeck Phys. Rev. Lett. 105 150603 (2010)]. The mappings from two kinds of typical heat engines, such as the low-dissipation heat engine and the Feynman ratchet, into the present generic model are constructed. The universal efficiency at maximum power output up to the quadratic order is found to be valid for a heat engine coupled symmetrically and tightly with two baths. The concepts of weighted reciprocal of temperature and weighted thermal flux are also transplanted to the optimization of refrigerators. PMID:24580194

  3. The Master Equation for Two-Level Accelerated Systems at Finite Temperature

    NASA Astrophysics Data System (ADS)

    Tomazelli, J. L.; Cunha, R. O.

    2016-10-01

    In this work, we study the behaviour of two weakly coupled quantum systems, described by a separable density operator; one of them is a single oscillator, representing a microscopic system, while the other is a set of oscillators which perform the role of a reservoir in thermal equilibrium. From the Liouville-Von Neumann equation for the reduced density operator, we devise the master equation that governs the evolution of the microscopic system, incorporating the effects of temperature via Thermofield Dynamics formalism by suitably redefining the vacuum of the macroscopic system. As applications, we initially investigate the behaviour of a Fermi oscillator in the presence of a heat bath consisting of a set of Fermi oscillators and that of an atomic two-level system interacting with a scalar radiation field, considered as a reservoir, by constructing the corresponding master equation which governs the time evolution of both sub-systems at finite temperature. Finally, we calculate the energy variation rates for the atom and the field, as well as the atomic population levels, both in the inertial case and at constant proper acceleration, considering the two-level system as a prototype of an Unruh detector, for admissible couplings of the radiation field.

  4. The electromagnetic response of a relativistic Fermi gas at finite temperatures: Applications to condensed-matter systems

    NASA Astrophysics Data System (ADS)

    Reyes-Gómez, E.; Oliveira, L. E.; de Carvalho, C. A. A.

    2016-04-01

    We investigate the electromagnetic response of a relativistic Fermi gas at finite temperatures. Our theoretical results are first-order in the fine-structure constant. The electromagnetic permittivity and permeability are introduced via general constitutive relations in reciprocal space, and computed for different values of the gas density and temperature. As expected, the electric permittivity of the relativistic Fermi gas is found in good agreement with the Lindhard dielectric function in the low-temperature limit. Applications to condensed-matter physics are briefly discussed. In particular, theoretical results are in good agreement with experimental measurements of the plasmon energy in graphite and tin oxide, as functions of both the temperature and wave vector. We stress that the present electromagnetic response of a relativistic Fermi gas at finite temperatures could be of potential interest in future plasmonic and photonic investigations.

  5. Light-Front QED{sub 1+1} at Finite Temperature

    SciTech Connect

    Strauss, S.; Beyer, M.

    2008-09-05

    We investigate the thermodynamic properties of quantum electrodynamics in 1+1 dimensions. We derive the partition function of the canonical ensemble in discrete light cone quantization and calculate the thermodynamical potential. This central quantity is evaluated for different system sizes and coupling strengths. We investigate the continuum limit and the thermodynamical limit and present basic thermodynamical quantities as a function of temperature for the interacting system. The results are compared to the idealized cases.

  6. Relativistic entrainment matrix of a superfluid nucleon-hyperon mixture. II. Effect of finite temperatures

    SciTech Connect

    Gusakov, Mikhail E.; Kantor, Elena M.; Haensel, Pawel

    2009-07-15

    We calculate the important quantity of superfluid hydrodynamics, the relativistic entrainment matrix for a nucleon-hyperon mixture at arbitrary temperature. In the nonrelativistic limit this matrix is also termed the Andreev-Bashkin or mass-density matrix. Our results can be useful for modeling the pulsations of massive neutron stars with superfluid nucleon-hyperon cores and for studies of the kinetic properties of superfluid baryon matter.

  7. Evaluation of an existing bridge`s modal properties using simplified finite element analysis

    SciTech Connect

    Farrar, C.R.; Duffey, T.A.

    1996-02-01

    The purpose of this paper is to present results of a simplified approach to the dynamic finite element modeling of composite girder-slab bridges using a single beam element to represent the girder-slab cross section. Dynamic properties calculated with these simplified models are compared to experimental results and results obtained from more detailed shell element models. The method for modeling flexural behavior is first discussed followed by a discussion of modeling torsional behavior. The beam element models accurately calculated the mode shapes of the structure, but the associated resonant frequencies showed some error.

  8. Determination of Mechanical Properties of Porous Silicon with Image Analysis and Finite Element

    NASA Astrophysics Data System (ADS)

    Rahmoun, K.; Faraoun, H. I.; Bassou, G.; Mathieu, C.; Sari, N. E. Chabane

    In order to create equivalent images, a series of SEM micrographs of porous silicon were treated with the image analysis procedure, developed using public domain software "ImageJ". A morphological description was used to reduce the complexity of the microstructure of porous silicon and an image analysis procedure has been established to quantify different geometrical parameters related to the shape, size and orientation distribution. This description allows performing predictive calculation of mechanical properties of porous silicon using finite element analysis. Results are compared with experiment and a good agreement is observed

  9. Stabilization of lower hybrid drift modes by finite parallel wavenumber and electron temperature gradients in field-reversed configurations

    NASA Astrophysics Data System (ADS)

    Farengo, R.; Guzdar, P. N.; Lee, Y. C.

    1989-08-01

    The effect of finite parallel wavenumber and electron temperature gradients on the lower hybrid drift instability is studied in the parameter regime corresponding to the TRX-2 device [Fusion Technol. 9, 48 (1986)]. Perturbations in the electrostatic potential and all three components of the vector potential are considered and finite beta electron orbit modifications are included. The electron temperature gradient decreases the growth rate of the instability but, for kz=0, unstable modes exist for ηe(=T'en0/Ten0)>6. Since finite kz effects completely stabilize the mode at small values of kz/ky(≂5×10-3), magnetic shear could be responsible for stabilizing the lower hybrid drift instability in field-reversed configurations.

  10. A two-dimensional finite-difference solution for the temperature distribution in a radial gas turbine guide vane blade

    NASA Technical Reports Server (NTRS)

    Hosny, W. M.; Tabakoff, W.

    1975-01-01

    A two-dimensional finite difference numerical technique is presented to determine the temperature distribution in a solid blade of a radial guide vane. A computer program is written in Fortran IV for IBM 370/165 computer. The computer results obtained from these programs have a similar behavior and trend as those obtained by experimental results.

  11. Quantum Decoherence and Thermalization at Finite Temperatures of Non-Degenerate Spin Systems via Small Spin Environments

    NASA Astrophysics Data System (ADS)

    Novotny, M. A.; Jin, F.; De Raedt, H.; Michielsen, K.

    2016-09-01

    We study the case of a small quantum spin system S with a non-degenerate groundstate coupled to a small quantum spin bath. Finite temperature measures for both quantum decoherence and thermalization are studied. The computational results, obtained from exact diagonalization, compare well with a recent perturbation theory prediction, even when the system and bath are of comparable sizes.

  12. Theory of the dissociation dynamics of small molecules on metal surfaces: Finite temperature studies

    SciTech Connect

    Jackson, B.E.

    1992-02-01

    The goal of this study is to gain a better understanding of metal- catalyzed reactions via a detailed examination of the dynamics of molecule-metal interactions. Much effort has focused on treating the molecule as quantum mechanically as possible, and including the effects of finite surface temperature. Recently developed time dependent quantum techniques have been used to compute the dissociative sticking probability of H{sub 2} on various metal surfaces. All molecular degrees of freedom are included either quantum mechanically or classically. The dependence upon translational and internal molecular energy, the angle and site of the surface impact, and the details of the molecule-metal interaction potential were examined. Similar techniques have been used to study the Eley-Rideal mechanism for the recombinative desorption of adsorbed H atoms with gas phase H atoms. Extremely accurate methods for coupling the molecule to the thermal vibrations of the solid have been developed. They are being used in a general study of sticking, as well as to examine the trapping of H{sub 2} and other diatomics in weakly bound molecular precursors to dissociative adsorption.

  13. Finite-temperature effects in stirred ring Bose-Einstein condensates

    NASA Astrophysics Data System (ADS)

    Murray, N.; Lanier, C.; Edwards, M.; Wang, Y.-H.; Clark, C. W.

    2014-05-01

    A ring Bose-Einstein condensate (BEC) with zero circulation (m = 0) stirred by a barrier will eventually jump to an m = 1 state when stirred faster than a certain critical speed, Ωc+. A ring BEC with m = 1 will drop to m = 0 when stirred at a critical speed, Ωc-, which is lower than Ωc+. The loop areas, Ωc+ -Ωc- , of this hysteretic response of the BEC to stirring predicted by zero-temperature Gross-Pitaevskii equation (GPE) disagreed significantly with the results of a recent experiment. In the work reported here, we simulated this experiment with the phenomenologically damped GPE, [S. Choi, S. A. Morgan, and K. Burnett, Phys. Rev. A 57, 4057 (1999)], and with the Zaremba-Nikuni-Griffin (ZNG) theory. The ZNG theory can account for finite-T, non-equilibrium dynamics. We compare the results of these simulations with the experimental data. The simulations show that a vortex/antivortex pair forms in the barrier region during the stirring and that this drives the hysteresis. We also show how the presence of an interacting, thermal cloud affects the dynamics of these pairs. We also simulate a ring condensate stirred by two barriers and find that the GPE matches the data much more closely. Supported in part by NSF grant #1068761 and ARO Atomtronics MURI.

  14. Finite-temperature effects in rotational hysteresis of ring Bose-Einstein condensates

    NASA Astrophysics Data System (ADS)

    Murray, N.; Lanier, C.; Edwards, M.; Wang, Y.-H.; Clark, C. W.; Eckel, S.; Jendrzejewski, F.; Campbell, G. K.

    2014-03-01

    A ring Bose-Einstein condensate (BEC) with zero circulation (m = 0) stirred by a barrier will eventually jump to an m = 1 state when stirred faster than a certain critical speed, Ωc+. A ring BEC with m = 1 will drop to m = 0 when stirred at a critical speed, Ωc-, which is lower than Ωc+. The loop areas, Ωc+ -Ωc- , of this hysteretic response of the BEC to stirring predicted by zero-temperature Gross-Pitaevskii equation (GPE) disagreed significantly with the results of a recent experiment. In the work reported here, we simulated this experiment with the phenomenologically damped GPE, [S. Choi, S. A. Morgan, and K. Burnett, Phys. Rev. A 57, 4057 (1999)], and with the Zaremba-Nikuni-Griffin (ZNG) theory. The ZNG theory can account for finite-T, non-equilibrium dynamics. We compare the results of these simulations with the experimental data. The simulations show that a vortex/antivortex pair forms in the barrier region during the stirring and that this drives the hysteresis. We also show how the presence of an interacting, thermal cloud affects the dynamics of these pairs. Supported in part by NSF grant #1068761 and ARO Atomtronics MURI

  15. Heavy-quark potential at finite temperature using the holographic correspondence

    NASA Astrophysics Data System (ADS)

    Albacete, Javier L.; Kovchegov, Yuri V.; Taliotis, Anastasios

    2008-12-01

    We revisit the calculation of a heavy-quark potential in N=4 supersymmetric Yang-Mills theory at finite temperature using the AdS/CFT correspondence. As is widely known, the potential calculated in the pioneering works of Rey et al. [Nucl. Phys.NUPBBO0550-3213 B527, 171 (1998)10.1016/S0550-3213(98)00471-4] and Brandhuber et al. [Phys. Lett. B 434, 36 (1998)PYLBAJ0370-269310.1016/S0370-2693(98)00730-8] is zero for separation distances r between the quark and the antiquark above a certain critical separation, at which the potential has a kink. We point out that by analytically continuing the string configurations into the complex plane, and using a slightly different renormalization subtraction, one obtains a smooth nonzero (negative definite) potential without a kink. The obtained potential also has a nonzero imaginary (absorptive) part for separations r>rc=0.870/πT. Most importantly, at large separations r the real part of the potential does not exhibit the exponential Debye falloff expected from perturbation theory and instead falls off as a power law, proportional to 1/r4 for r>r0=2.702/πT.

  16. Surface atomic order of compound III-V semiconductor alloys at finite temperature

    NASA Astrophysics Data System (ADS)

    Thomas, John C.; Millunchick, Joanna Mirecki; Modine, Normand A.; van der Ven, Anton

    2009-09-01

    We investigate the role of alloying, atomic-size mismatch strain, and thermal effects on ordering and reconstruction stability of As-rich (2×4) surfaces on (InxGa1-x)As (001) ternary III-V alloys (in the dilute limit) using a first-principles cluster-expansion and Monte Carlo simulations. The cluster expansion accounts for configurational degrees of freedom associated with As dimer adsorption/desorption as well as Ga-In disorder in subsurface cation sites. We analyze the α2(2×4)-β2(2×4) transition at finite temperature and directly examine the entropy and cation-site filling in both reconstructions. A compositionally dependent “zigzag” ordering of dimers in the α2(2×4) is predicted as well as a hybrid α2(2×4)-β2(2×4) reconstruction, found to be stable in a reasonably large chemical-potential range. The hybrid dimer ordering drives pronounced nanoscale composition modulation of surface cations.

  17. Finite temperature corrections and embedded strings in noncommutative geometry and the standard model with neutrino mixing

    SciTech Connect

    Martins, R. A.

    2007-08-15

    The recent extension of the standard model to include massive neutrinos in the framework of noncommutative geometry and the spectral action principle involves new scalar fields and their interactions with the usual complex scalar doublet. After ensuring that they bring no unphysical consequences, we address the question of how these fields affect the physics predicted in the Weinberg-Salam theory, particularly in the context of the electroweak phase transition. Applying the Dolan-Jackiw procedure, we calculate the finite temperature corrections, and find that the phase transition is first order. The new scalar interactions significantly improve the stability of the electroweak Z string, through the 'bag' phenomenon described by Vachaspati and Watkins ['Bound states can stabilize electroweak strings', Phys. Lett. B 318, 163-168 (1993)]. (Recently, cosmic strings have climbed back into interest due to a new evidence.) Sourced by static embedded strings, an internal space analogy of Cartan's torsion is drawn, and a possible Higgs-force-like 'gravitational' effect of this nonpropagating torsion on the fermion masses is described. We also check that the field generating the Majorana mass for the {nu}{sub R} is nonzero in the physical vacuum.

  18. Finite sample properties of power-law cross-correlations estimators

    NASA Astrophysics Data System (ADS)

    Kristoufek, Ladislav

    2015-02-01

    We study finite sample properties of estimators of power-law cross-correlations-detrended cross-correlation analysis (DCCA), height cross-correlation analysis (HXA) and detrending moving-average cross-correlation analysis (DMCA)-with a special focus on short-term memory bias as well as power-law coherency. We present a broad Monte Carlo simulation study that focuses on different time series lengths, specific methods' parameter setting, and memory strength. We find that each method is best suited for different time series dynamics so that there is no clear winner between the three. The method selection should be then made based on observed dynamic properties of the analyzed series.

  19. Moduli stabilization in type II Calabi-Yau compactifications at finite temperature

    NASA Astrophysics Data System (ADS)

    Liu, Lihui; Partouche, Hervé

    2012-11-01

    We consider the type II superstring compactified on Calabi-Yau threefolds, at finite temperature. The latter is implemented at the string level by a free action on the Euclidean time circle. We show that all Kähler and complex structure moduli involved in the gauge theories geometrically engineered in the vicinity of singular loci are lifted by the stringy thermal effective potential. The analysis is based on the effective gauged super-gravity at low energy, without integrating out the non-perturbative BPS states becoming massless at the singular loci. The universal form of the action in the weak coupling regime and at low enough temperature is determined in two cases. Namely, the conifold locus, as well as a locus where the internal space develops a genus- g curve of A N -1 singularities, thus realizing an SU( N ) gauge theory coupled to g hypermultiplets in the adjoint. In general, we argue that the favored points of stabilization sit at the intersection of several such loci. As a result, the entire vector multiplet moduli space is expected to be lifted, together with hypermultiplet moduli. The scalars are dynamically stabilized during the cosmological evolution induced by the back-reaction of the thermal effective potential on the originally static background. When the universe expands and the temperature T drops, the scalars converge to minima, with damped oscillations. Moreover, they store an energy density that scales as T 4, which never dominates over radiation. The reason for this is that the mass they acquire at one-loop is of order the temperature scale, which is time-dependent rather than constant. As an example, we analyze the type IIA compactification on a hy-persurface {P}_{{( {1,1,2,2,6} )}}^4 [12], with Hodge numbers h 11 = 2 and h 12 = 128. In this case, both Kähler moduli are stabilized at a point, where the internal space develops a node and an enhanced SU(2) gauge theory coupled to 2 adjoint hypermultiplets. This shows that in the dual thermal

  20. Moduli thermalization and finite temperature effects in "big" divisor large volume D3/ D7 Swiss-cheese compactification

    NASA Astrophysics Data System (ADS)

    Shukla, Pramod

    2011-01-01

    In the context of Type IIB compactified on a large volume Swiss-Cheese orientifold in the presence of a mobile space-time filling D3-brane and stacks of fluxed D7-branes wrapping the "big" divisor Σ B of a Swiss-Cheese Calabi Yau in WCP 4[1, 1, 1, 6, 9], we explore various implications of moduli dynamics and discuss their couplings and decay into MSSM (-like) matter fields early in the history of universe to reach thermal equilibrium. Like finite temperature effects in O'KKLT, we observe that the local minimum of zero-temperature effective scalar potential is stable against any finite temperature corrections (up to two-loops) in large volume scenarios as well. Also we find that moduli are heavy enough to avoid any cosmological moduli problem.

  1. Retrieving the ground state of spin glasses using thermal noise: Performance of quantum annealing at finite temperatures

    NASA Astrophysics Data System (ADS)

    Nishimura, Kohji; Nishimori, Hidetoshi; Ochoa, Andrew J.; Katzgraber, Helmut G.

    2016-09-01

    We study the problem to infer the ground state of a spin-glass Hamiltonian using data from another Hamiltonian with interactions disturbed by noise from the original Hamiltonian, motivated by the ground-state inference in quantum annealing on a noisy device. It is shown that the average Hamming distance between the inferred spin configuration and the true ground state is minimized when the temperature of the noisy system is kept at a finite value, and not at zero temperature. We present a spin-glass generalization of a well-established result that the ground state of a purely ferromagnetic Hamiltonian is best inferred at a finite temperature in the sense of smallest Hamming distance when the original ferromagnetic interactions are disturbed by noise. We use the numerical transfer-matrix method to establish the existence of an optimal finite temperature in one- and two-dimensional systems. Our numerical results are supported by mean-field calculations, which give an explicit expression of the optimal temperature to infer the spin-glass ground state as a function of variances of the distributions of the original interactions and the noise. The mean-field prediction is in qualitative agreement with numerical data. Implications on postprocessing of quantum annealing on a noisy device are discussed.

  2. Finite Element Study of the Effect of Substrate Properties in Micro-cutting Thin Workpiece Materials

    NASA Astrophysics Data System (ADS)

    Saptaji, K.; Subbiah, S.

    2016-02-01

    The cutting mechanism and residual stress profile of the micro-cutting thin workpiece are affected by the interaction of the thin workpiece and the fixture (substrate) underneath it similar to that observed in the nano-indentation and nano-scratching of thin film. The appropriate substrate properties are necessary especially to avoid detachment during machining and to minimize deformation and warping of the machined thin workpiece. Thus, the investigations of the influence of substrate properties on micro-cutting thin workpiece are essentially to be conducted. The finite element study of orthogonal micro-cutting of thin Al6061-T6 is presented here. The simulations were conducted to study the residual stress profile across the thickness of the machined thin workpiece at various workpiece thicknesses and various substrate (adhesive) elastic properties. Simulations results show that as the machined workpiece become thinner, the stress is more significant not only on the machined surface but also it can reach the bottom of the workpiece. The stiffer substrate produces less variation of the stress across the workpiece thickness while more compliant substrate produces broader stress variation as the workpiece become thinner. The results show the significant effect of the workpiece thickness and the substrate properties on the stress profiles in the micro-cutting of thin workpiece.

  3. Estimation of the physical properties of nanocomposites by finite-element discretization and Monte Carlo simulation.

    PubMed

    Spanos, P; Elsbernd, P; Ward, B; Koenck, T

    2013-06-28

    This paper reviews and enhances numerical models for determining thermal, elastic and electrical properties of carbon nanotube-reinforced polymer composites. For the determination of the effective stress-strain curve and thermal conductivity of the composite material, finite-element analysis (FEA), in conjunction with the embedded fibre method (EFM), is used. Variable nanotube geometry, alignment and waviness are taken into account. First, a random morphology of a user-defined volume fraction of nanotubes is generated, and their properties are incorporated into the polymer matrix using the EFM. Next, incremental and iterative FEA approaches are used for the determination of the nonlinear properties of the nanocomposite. For the determination of the electrical properties, a spanning network identification algorithm is used. First, a realistic nanotube morphology is generated from input parameters defined by the user. The spanning network algorithm then determines the connectivity between nanotubes in a representative volume element. Then, interconnected nanotube networks are converted to equivalent resistor circuits. Finally, Kirchhoff's current law is used in conjunction with FEA to solve for the voltages and currents in the system and thus calculate the effective electrical conductivity of the nanocomposite. The model accounts for electrical transport mechanisms such as electron hopping and simultaneously calculates percolation probability, identifies the backbone and determines the effective conductivity. Monte Carlo analysis of 500 random microstructures is performed to capture the stochastic nature of the fibre generation and to derive statistically reliable results. The models are validated by comparison with various experimental datasets reported in the recent literature. PMID:23690646

  4. Structure of Exotic Mg Isotopes and Temperature Dependence of the Symmetry Energy of Finite Nuclei

    NASA Astrophysics Data System (ADS)

    Gaidarov, M. K.; Sarriguren, P.; Antonov, A. N.; Kadrev, D. N.; Moya de Guerra, E.

    2016-06-01

    We study various ground-state properties of neutron-rich and neutron-deficient Mg isotopes with A=20-36 in the framework of the self-consistent deformed Skyrme-Hartree- Fock plus BCS method. The nuclear symmetry energy is investigated for the same isotopic chain following the theoretical approach based on the coherent density fluctuation model. The results of the calculations show that the behavior of the nuclear charge radii and the nuclear matter properties in the Mg isotopic chain is closely related to the nuclear deformation. The temperature dependence of the symmetry energy for isotopic chains of even-even Ni (A=58- 82), Sn (A=124-152), and Pb (A=202-214) nuclei is investigated in the framework of the local density approximation. The results for the thermal evolution of the symmetry energy coefficient show that for all isotopic chains considered and for both Skyrme forces used in the calculations the symmetry energy coefficient decreases with the increase of the mass number in the temperature interval T = 0-5 MeV.

  5. Finite Element Analysis of the Random Response Suppression of Composite Panels at Elevated Temperatures using Shape Memory Alloy Fibers

    NASA Technical Reports Server (NTRS)

    Turner, Travis L.; Zhong, Z. W.; Mei, Chuh

    1994-01-01

    A feasibility study on the use of shape memory alloys (SMA) for suppression of the random response of composite panels due to acoustic loads at elevated temperatures is presented. The constitutive relations for a composite lamina with embedded SMA fibers are developed. The finite element governing equations and the solution procedures for a composite plate subjected to combined acoustic and thermal loads are presented. Solutions include: 1) Critical buckling temperature; 2) Flat panel random response; 3) Thermal postbuckling deflection; 4) Random response of a thermally buckled panel. The preliminary results demonstrate that the SMA fibers can completely eliminate the thermal postbuckling deflection and significantly reduce the random response at elevated temperatures.

  6. Directional anisotropy, finite size effect and elastic properties of hexagonal boron nitride

    NASA Astrophysics Data System (ADS)

    Thomas, Siby; Ajith, K. M.; Valsakumar, M. C.

    2016-07-01

    Classical molecular dynamics simulations have been performed to analyze the elastic and mechanical properties of two-dimensional (2D) hexagonal boron nitride (h-BN) using a Tersoff-type interatomic empirical potential. We present a systematic study of h-BN for various system sizes. Young’s modulus and Poisson’s ratio are found to be anisotropic for finite sheets whereas they are isotropic for the infinite sheet. Both of them increase with system size in accordance with a power law. It is concluded from the computed values of elastic constants that h-BN sheets, finite or infinite, satisfy Born’s criterion for mechanical stability. Due to the the strong in-plane sp2 bonds and the small mass of boron and nitrogen atoms, h-BN possesses high longitudinal and shear velocities. The variation of bending rigidity with system size is calculated using the Foppl–von Karman approach by coupling the in-plane bending and out-of-plane stretching modes of the 2D h-BN.

  7. Advancing density functional theory to finite temperatures: methods and applications in steel design.

    PubMed

    Hickel, T; Grabowski, B; Körmann, F; Neugebauer, J

    2012-02-01

    The performance of materials such as steels, their high strength and formability, is based on an impressive variety of competing mechanisms on the microscopic/atomic scale (e.g. dislocation gliding, solid solution hardening, mechanical twinning or structural phase transformations). Whereas many of the currently available concepts to describe these mechanisms are based on empirical and experimental data, it becomes more and more apparent that further improvement of materials needs to be based on a more fundamental level. Recent progress for methods based on density functional theory (DFT) now makes the exploration of chemical trends, the determination of parameters for phenomenological models and the identification of new routes for the optimization of steel properties feasible. A major challenge in applying these methods to a true materials design is, however, the inclusion of temperature-driven effects on the desired properties. Therefore, a large range of computational tools has been developed in order to improve the capability and accuracy of first-principles methods in determining free energies. These combine electronic, vibrational and magnetic effects as well as structural defects in an integrated approach. Based on these simulation tools, one is now able to successfully predict mechanical and thermodynamic properties of metals with a hitherto not achievable accuracy.

  8. Advancing density functional theory to finite temperatures: methods and applications in steel design

    NASA Astrophysics Data System (ADS)

    Hickel, T.; Grabowski, B.; Körmann, F.; Neugebauer, J.

    2012-02-01

    The performance of materials such as steels, their high strength and formability, is based on an impressive variety of competing mechanisms on the microscopic/atomic scale (e.g. dislocation gliding, solid solution hardening, mechanical twinning or structural phase transformations). Whereas many of the currently available concepts to describe these mechanisms are based on empirical and experimental data, it becomes more and more apparent that further improvement of materials needs to be based on a more fundamental level. Recent progress for methods based on density functional theory (DFT) now makes the exploration of chemical trends, the determination of parameters for phenomenological models and the identification of new routes for the optimization of steel properties feasible. A major challenge in applying these methods to a true materials design is, however, the inclusion of temperature-driven effects on the desired properties. Therefore, a large range of computational tools has been developed in order to improve the capability and accuracy of first-principles methods in determining free energies. These combine electronic, vibrational and magnetic effects as well as structural defects in an integrated approach. Based on these simulation tools, one is now able to successfully predict mechanical and thermodynamic properties of metals with a hitherto not achievable accuracy.

  9. Mechano-rheological properties of the murine thrombus determined via nanoindentation and finite element modeling.

    PubMed

    Slaboch, Constance L; Alber, Mark S; Rosen, Elliot D; Ovaert, Timothy C

    2012-06-01

    Deep vein thrombosis, pulmonary embolism, and abdominal aortic aneurysms are blood-related diseases that represent a major public health problem. These diseases are characterized by the formation of a thrombus (i.e., blood clot) that either blocks a major artery or causes an aortic rupture. Identifying the mechanical properties of thrombi can help determine when these incidents will occur. In this investigation, a murine thrombus, formed from platelet-rich plasma, calcium, and thrombin, was nanoindented and the elastic modulus was estimated via elastic contact theory. This information was used as input to an inverse finite element simulation, which determined optimal values for the elastic modulus and viscosity of the thrombus using a viscoelastic material model. A sensitivity analysis was also performed to determine which material parameters have the greatest affect on the simulation. Results from this investigation demonstrate the feasibility of the mechanical characterization of a murine thrombus using nanoindentation. PMID:22520420

  10. Stochastic ordering properties and optimal routing control for a class of finite capacity queueing systems

    NASA Technical Reports Server (NTRS)

    Towsley, Don; Sparaggis, Panayotis D.; Cassandras, Christos G.

    1990-01-01

    The problem of routing jobs to parallel queues with identical exponential servers and unequal finite buffer capacities is considered. Stochastic ordering and weak majorization properties on critical performance measures are established by means of event-driven inductions. In particular, it is shown that the intuitive 'join the shortest non-full queue' (SNQ) policy is optimal with respect to an overall function that accounts for holding and blocking costs. Moreover, the buffer allocation problem is solved by proving the intuitive result that, for a fixed total buffer capacity, the optimal allocation scheme is the one in which the difference between the maximum and minimum queue capacities is minimized, i.e., becomes either 0 or 1.

  11. Finite-element design of a guarded heating cylinder to measure thermal properties of materials

    NASA Astrophysics Data System (ADS)

    Nicolas, J.; Martin, F.; Andre, Ph.; Rivez, J.-F.

    1990-12-01

    A device for the measurement of thermal properties of phase change materials and, in general, of medium thermal conductivity materials, is described. The measuring cell is a modified version of the guarded hot plate technique, here designed for about 8-cm-diam samples. A well-known difficulty arises in such a device: its limitation when the sample cross section becomes too small with respect to its thickness. A finite-element model is used to study the shape of isotherms in a thick sample (10 cm) for different configurations of the measuring device. This analysis has led to the selection of the optimum design. It shows that the instrument is able to handle samples with a diameter to thickness ratio of about 1 so far as the heat transfer coefficient remains beneath some limits (here 100 W/m2 K). The control system is also described and some typical results are presented.

  12. D* and B* mesons in strange hadronic medium at finite temperature

    NASA Astrophysics Data System (ADS)

    Chhabra, Rahul; Kumar, Arvind

    2016-03-01

    We calculate the effect of density and temperature of isospin symmetric strange medium on the shift in masses and decay constants of vector D and B mesons using chiral SU(3) model and QCD sum rule approach. In the present investigation the values of quark and gluon condensates are calculated from the chiral SU(3) model and these condensatesare further used as input in the QCD Sum rule framework to calculate the in-medium masses and decay constants of vector D and B mesons. These in medium properties of vector D and B mesons may be helpful to understand the experimental observables of the experiments like CBM and PANDA under FAIR project at GSI, Germany. The results which are observed in present work are also compared with the previous predictions.

  13. Optimization of tissue physical parameters for accurate temperature estimation from finite-element simulation of radiofrequency ablation

    NASA Astrophysics Data System (ADS)

    Subramanian, Swetha; Mast, T. Douglas

    2015-09-01

    Computational finite element models are commonly used for the simulation of radiofrequency ablation (RFA) treatments. However, the accuracy of these simulations is limited by the lack of precise knowledge of tissue parameters. In this technical note, an inverse solver based on the unscented Kalman filter (UKF) is proposed to optimize values for specific heat, thermal conductivity, and electrical conductivity resulting in accurately simulated temperature elevations. A total of 15 RFA treatments were performed on ex vivo bovine liver tissue. For each RFA treatment, 15 finite-element simulations were performed using a set of deterministically chosen tissue parameters to estimate the mean and variance of the resulting tissue ablation. The UKF was implemented as an inverse solver to recover the specific heat, thermal conductivity, and electrical conductivity corresponding to the measured area of the ablated tissue region, as determined from gross tissue histology. These tissue parameters were then employed in the finite element model to simulate the position- and time-dependent tissue temperature. Results show good agreement between simulated and measured temperature.

  14. Optimization of tissue physical parameters for accurate temperature estimation from finite-element simulation of radiofrequency ablation.

    PubMed

    Subramanian, Swetha; Mast, T Douglas

    2015-10-01

    Computational finite element models are commonly used for the simulation of radiofrequency ablation (RFA) treatments. However, the accuracy of these simulations is limited by the lack of precise knowledge of tissue parameters. In this technical note, an inverse solver based on the unscented Kalman filter (UKF) is proposed to optimize values for specific heat, thermal conductivity, and electrical conductivity resulting in accurately simulated temperature elevations. A total of 15 RFA treatments were performed on ex vivo bovine liver tissue. For each RFA treatment, 15 finite-element simulations were performed using a set of deterministically chosen tissue parameters to estimate the mean and variance of the resulting tissue ablation. The UKF was implemented as an inverse solver to recover the specific heat, thermal conductivity, and electrical conductivity corresponding to the measured area of the ablated tissue region, as determined from gross tissue histology. These tissue parameters were then employed in the finite element model to simulate the position- and time-dependent tissue temperature. Results show good agreement between simulated and measured temperature. PMID:26352462

  15. Finite-size scaling of the critical temperatures of magnetic thin films with variable range of interactions.

    NASA Astrophysics Data System (ADS)

    Bramfeld, Timothy; Willis, Roy F.

    2006-03-01

    Finite-size scaling in magnetic (spin) systems with an arbitrary range of spin interactions was first discussed by Domb and Dalton [1]. These authors explored the effect on the various critical exponents of the thermodynamic quantities of a generalized Ising model in which each spin interacts equally strongly with neighbors within some finite interaction distance beyond which the interaction goes to zero. Such a model was used by Zhang & Willis [2] to explain the thickness dependence of the Curie temperatures of ferromagnetic nickel films. Specifically, they showed that Tc followed a power law, reduced temperature t ˜ L^-λdown to a critical thickness Lo = Ro, at which point the critical temperature reduced linearly with further decreasing thickness L. In this talk, we show that the demarcation point Lo = Ro scales with the range of spin interactions in alloy films. This parameter Ro is a function of the changing dimensions of the Fermi surface i.e. related to the period of RKKY oscillations in these itinerant ferromagnets. We examine the ramifications of an increasing range of spin interactions Ro on the finite-size critical behavior of a magnetic system. [1] C. Domb & N.W. Dalton, Proc. Phys. Soc. 89, 859 (1966). [2] R. Zhang & R.F. Willis, Phys. Rev. Lett. 86, 2665 (2001).

  16. Electrical Properties Of Capacitors At High Temperatures

    NASA Technical Reports Server (NTRS)

    Baumann, E. D.; Myers, I. T.; Overton, E.; Hammoud, A. N.

    1994-01-01

    Brief report describes results of experiments in which capacitance and dielectric loss of glass, metallized-polytetrafluoroethylene, and solid-tantalum capacitor measured at temperatures from 20 degrees C to 200 degrees C. Conclusions drawn concerning suitability of capacitors for use at high temperatures; such as in nuclear powerplants, aircraft, equipment for extracting geothermal energy, switching power supplies, and automotive integrated engine electronics.

  17. Tensile and fatigue properties of Inconel 718 at cryogenic temperatures

    NASA Technical Reports Server (NTRS)

    Malin, C. O.; Schmidt, E. H.

    1969-01-01

    Tests to determine the tensile and fatigue properties of Inconel 718 at cryogenic temperatures show that the alloy increases in strength at low temperatures, with very little change in toughness. The effect of surface finish and grain size on the fatigue properties was also determined.

  18. Numerical evaluation of implantable hearing devices using a finite element model of human ear considering viscoelastic properties.

    PubMed

    Zhang, Jing; Tian, Jiabin; Ta, Na; Huang, Xinsheng; Rao, Zhushi

    2016-08-01

    Finite element method was employed in this study to analyze the change in performance of implantable hearing devices due to the consideration of soft tissues' viscoelasticity. An integrated finite element model of human ear including the external ear, middle ear and inner ear was first developed via reverse engineering and analyzed by acoustic-structure-fluid coupling. Viscoelastic properties of soft tissues in the middle ear were taken into consideration in this model. The model-derived dynamic responses including middle ear and cochlea functions showed a better agreement with experimental data at high frequencies above 3000 Hz than the Rayleigh-type damping. On this basis, a coupled finite element model consisting of the human ear and a piezoelectric actuator attached to the long process of incus was further constructed. Based on the electromechanical coupling analysis, equivalent sound pressure and power consumption of the actuator corresponding to viscoelasticity and Rayleigh damping were calculated using this model. The analytical results showed that the implant performance of the actuator evaluated using a finite element model considering viscoelastic properties gives a lower output above about 3 kHz than does Rayleigh damping model. Finite element model considering viscoelastic properties was more accurate to numerically evaluate implantable hearing devices. PMID:27276992

  19. Low temperature properties of holographic condensates

    NASA Astrophysics Data System (ADS)

    Basu, Pallab

    2011-03-01

    In the current work we study various models of holographic superconductors at low temperature. Generically the zero temperature limit of those models are solitonic solution with a zero sized horizon. Here we generalized simple version of those zero temperature solutions to small but non-zero temperature T. We confine ourselves to cases where near horizon geometry is AdS 4. At a non-zero temperature a small horizon would form deep inside this AdS 4 which does not disturb the UV physics. The resulting geometry may be matched with the zero temperature solution at an intermediate length scale. We understand this matching from separation of scales by setting up a perturbative expansion in gauge potential. We have a better analytic control in abelian case and quantities may be expressed in terms of hypergeometric function. From this we calculate low temperature behavior of various quatities like entropy, charge density and specific heat etc. We also calculate various energy gaps associated with p-wave holographic superconductor to understand the underlying pairing mechanism. The result deviates significantly from the corresponding weak coupling BCS counterpart.

  20. Quasifermion spectrum at finite temperature from coupled Schwinger-Dyson equations for a fermion-boson system

    SciTech Connect

    Harada, Masayasu; Nemoto, Yukio

    2008-07-01

    We nonperturbatively investigate a fermion spectrum at finite temperature in a chiral invariant linear sigma model. Coupled Schwinger-Dyson equations for fermion and boson are developed in the real time formalism and solved numerically. From the coupling of a massless fermion with a massive boson, the fermion spectrum shows a three-peak structure at some temperatures even for the strong coupling region. This means that the three-peak structure which was originally found in the one-loop calculation is stable against higher order corrections even in the strong coupling region.

  1. Chiral symmetry restoration in (2+1)-dimensional QED with a Maxwell-Chern-Simons term at finite temperature

    SciTech Connect

    Dillenschneider, Raoul; Richert, Jean

    2006-10-01

    We study the role played by a Chern-Simons contribution to the action in the QED{sub 3} formulation of a two-dimensional Heisenberg model of quantum spin systems with a strictly fixed site occupation at finite temperature. We show how this contribution affects the screening of the potential that acts between spinons and contributes to the restoration of chiral symmetry in the spinon sector. The constant that characterizes the Chern-Simons term can be related to the critical temperature T{sub c} above which the dynamical mass goes to zero.

  2. Influence of surface and finite size effects on the structural and magnetic properties of nanocrystalline lanthanum strontium perovskite manganites

    SciTech Connect

    Žvátora, Pavel; Veverka, Miroslav; Veverka, Pavel; Knížek, Karel; Závěta, Karel; Pollert, Emil; Goglio, Graziella; Duguet, Etienne; Kaman, Ondřej

    2013-08-15

    Syntheses of nanocrystalline perovskite phases of the general formula La{sub 1−x}Sr{sub x}MnO{sub 3+δ} were carried out employing sol–gel technique followed by thermal treatment at 700–900 °C under oxygen flow. The prepared samples exhibit a rhombohedral structure with space group R3{sup ¯}c in the whole investigated range of composition 0.20≤x≤0.45. The studies were aimed at the chemical composition including oxygen stoichiometry and extrinsic properties, i.e. size of the particles, both influencing the resulting structural and magnetic properties. The oxygen stoichiometry was determined by chemical analysis revealing oxygen excess in most of the studied phases. The excess was particularly high for the samples with the smallest crystallites (12–28 nm) while comparative bulk materials showed moderate non-stoichiometry. These differences are tentatively attributed to the surface effects in view of the volume fraction occupied by the upper layer whose atomic composition does not comply with the ideal bulk stoichiometry. - Graphical abstract: Evolution of the particle size with annealing temperature in the nanocrystalline La{sub 0.70}Sr{sub 0.30}MnO{sub 3+δ} phase. Display Omitted - Highlights: • The magnetic behaviour of nanocrystalline La{sub 1−x}Sr{sub x}MnO{sub 3+δ} phases was analyzed on the basis of their crystal structure, chemical composition and size of the particles. • Their Curie temperature and magnetization are markedly affected by finite size and surface effects. • The oxygen excess observed in the La{sub 1−x}Sr{sub x}MnO{sub 3+δ} nanoparticles might be generated by the surface layer with deviated oxygen stoichiometry.

  3. Equilibrium and non-equilibrium properties of finite-volume crystallites

    NASA Astrophysics Data System (ADS)

    Degawa, Masashi

    Finite volume effects on equilibrium and non-equilibrium properties of nano-crystallites are studied theoretically and compared to both experiment and simulation. When a system is isolated or its size is small compared to the correlation length, all equilibrium and close-to-equilibrium properties will depend on the system boundary condition. Specifically for solid nano-crystallites, their finite size introduces global curvature to the system, which alters its equilibrium properties compared to the thermodynamic limit. Also such global curvature leads to capillary-induced morphology changes of the surface. Interesting dynamics can arise when the crystallite is supported on a substrate, with crossovers of the dominant driving force from the capillary force and crystallite-substrate interactions. To address these questions, we introduce thermodynamic functions for the boundary conditions, which can be derived from microscopic models. For nano-crystallites, the boundary is the surface (including interfaces), the thermodynamic description is based on the steps that define the shape of the surface, and the underlying microscopic model includes kinks. The global curvature of the surface introduces metastable states with different shapes governed by a constant of integration of the extra boundary condition, which we call the shape parameter c. The discrete height of the steps introduces transition states in between the metastable states, and the lowest energy accessible structure (energy barrier less 10k BT) as a function of the volume has been determined. The dynamics of nano-crystallites as they relax from a non-equilibrium structure is described quantitatively in terms of the motion of steps in both capillary-induced and interface-boundary-induced regimes. The step-edge fluctuations of the top facet are also influenced by global curvature and volume conservation and the effect yields different dynamic scaling exponents from a pure 1D system. Theoretical results are

  4. Finite element and physical simulations of non-steady state metal flow and temperature distribution in twin roll strip casting

    SciTech Connect

    Shiomi, Masanori; Mori, Kenichiro; Osakada, Kozo

    1995-12-31

    Non-steady-state metal flow and temperature distribution in twin roll strip casting are simulated by the finite element method. In the present simulation, the viscoplastic finite element method is combined with that for heat conduction to calculate the metal flow and the temperature distribution during the casting process. The solid, mushy and liquid phases are assumed to be viscoplastic materials with individual flow stresses. In the temperature analysis, the latent heat due to solidification of the molten metal is taken into account by using the temperature recovery method. Since the metal flow and temperature distribution do not often attain to steady states, they are simulated by the stepwise calculation. To examine the accuracy of the calculated results, physical simulation of plane-strain twin roll strip casting is carried out by use of paraffin wax as a model material. The calculated profiles of the solid region agree qualitatively well with the experimental ones. Twin roll strip casting processes for stainless steel are also simulated. An optimum roll speed for obtaining a strip without a liquid zone under a minimum rolling load is obtained from the results of the simulation.

  5. 2+1 flavor Polyakov Nambu Jona-Lasinio model at finite temperature and nonzero chemical potential

    NASA Astrophysics Data System (ADS)

    Fu, Wei-Jie; Zhang, Zhao; Liu, Yu-Xin

    2008-01-01

    We extend the Polyakov-loop improved Nambu Jona-Lasinio model to 2+1 flavor case to study the chiral and deconfinement transitions of strongly interacting matter at finite temperature and nonzero chemical potential. The Polyakov loop, the chiral susceptibility of light quarks (u and d), and the strange quark number susceptibility as functions of temperature at zero chemical potential are determined and compared with the recent results of lattice QCD simulations. We find that there is always an inflection point in the curve of strange quark number susceptibility accompanying the appearance of the deconfinement phase, which is consistent with the result of lattice QCD simulations. Predictions for the case at nonzero chemical potential and finite temperature are made as well. We give the phase diagram in terms of the chemical potential and temperature and find that the critical end point moves down to low temperature and finally disappears with the decrease of the strength of the ’t Hooft flavor-mixing interaction.

  6. Finite-difference time-domain studies of the optical properties of nanoshell dimers.

    PubMed

    Oubre, C; Nordlander, P

    2005-05-26

    The optical properties of metallic nanoshell dimers are investigated using the finite difference time domain (FDTD) method. We discuss issues of numerical convergence specific for the dimer system. We present results for both homodimers and heterodimers. The results show that retardation effects must be taken into account for an accurate description of realistic size nanoparticle dimers. The optical properties of the nanoshell dimer are found to be strongly polarization dependent. Maximal coupling between the nanoshells in a dimer occurs when the electric field of the incident pulse is aligned parallel to the dimer axis. The wavelengths of the peaks in the extinction cross section of the dimer are shown to vary by more than 100 nm, depending on the incident electric field polarization. The calculations show that electric field enhancements in the dimer junctions depend strongly on dimer separation. The maximum field enhancements occur in the dimer junction and at the expense of a reduced electric field enhancement in other regions of space. We investigate the usefulness of nanoshell dimers substrates for SERS by integrating the fourth power of the electric field enhancements around the surfaces of the nanoparticles as a function of dimer separation and wavelength. The SERS efficiency is shown to depend strongly on dimer separation but much weaker than the fourth power of the maximum electric field enhancement at a particular point. The SERS efficiency is also found to depend strongly on the wavelength of the incident light. Maximum SERS efficiency occurs for resonant excitation of the dimer plasmons. PMID:16852215

  7. Effects of Phase Lags on Three-Dimensional Wave Propagation with Temperature-Dependent Properties

    NASA Astrophysics Data System (ADS)

    Kalkal, Kapil Kumar; Deswal, Sunita

    2014-05-01

    A three-dimensional model of equations for a homogeneous and isotropic medium with temperature-dependent mechanical properties is established under the purview of two-phase-lag thermoelasticity theory. The modulus of elasticity is taken as a linear function of the reference temperature. The resulting non-dimensional coupled equations are applied to a specific problem of a half-space whose surface is traction-free and is subjected to a time-dependent thermal shock. The analytical expressions for the displacement component, stress, temperature field, and strain are obtained in the physical domain by employing normal mode analysis. These expressions are also calculated numerically for a copper-like material and depicted graphically. Discussions have been made to highlight the joint effects of the temperature-dependent modulus of elasticity and time on these physical fields. The phenomenon of a finite speed of propagation is observed graphically for each field.

  8. Finite Element Analysis of Mechanical Properties of 3D Four-directional Rectangular Braided Composites—Part 2: Validation of the 3D Finite Element Model

    NASA Astrophysics Data System (ADS)

    Li, Dian-Sen; Fang, Dai-Ning; Lu, Zi-Xing; Yang, Zhen-Yu; Jiang, Nan

    2010-08-01

    In the first part of the work, we have established a new parameterized three-dimensional (3D) finite element model (FEM) which precisely simulated the spatial configuration of the braiding yarns and considered the cross-section deformation as well as the surface contact relationship between the yarns. This paper presents a prediction of the effective elastic properties and the meso-scale mechanical response of 3D braided composites to verify the validation of the FEM. The effects of the braiding parameters on the mechanical properties are investigated in detail. By analyzing the deformation and stress nephogram of the model, a reasonable overall stress field is provided and the results well support the strength prediction. The results indicate it is convenient to predict all the elastic constants of 3D braided composites with different parameters simultaneously using the FEM. Moreover, the FEM can successfully predict the meso-scale mechanical response of 3D braided composites containing periodical structures.

  9. State-Space Modeling of Dynamic Psychological Processes via the Kalman Smoother Algorithm: Rationale, Finite Sample Properties, and Applications

    ERIC Educational Resources Information Center

    Song, Hairong; Ferrer, Emilio

    2009-01-01

    This article presents a state-space modeling (SSM) technique for fitting process factor analysis models directly to raw data. The Kalman smoother via the expectation-maximization algorithm to obtain maximum likelihood parameter estimates is used. To examine the finite sample properties of the estimates in SSM when common factors are involved, a…

  10. Polyurethane adhesive with improved high temperature properties

    NASA Technical Reports Server (NTRS)

    Stuckey, J. M.

    1977-01-01

    A polyurethane resin with paste activator, capable of providing useful bond strengths over the temperature range of -184 C to 149 C, is described. The adhesive system has a pot life of over one hour. Tensile shear strength ratings are given for various adhesive formulations.

  11. Finite-size corrections to scaling of the magnetization distribution in the two-dimensional XY model at zero temperature.

    PubMed

    Palma, G; Niedermayer, F; Rácz, Z; Riveros, A; Zambrano, D

    2016-08-01

    The zero-temperature, classical XY model on an L×L square lattice is studied by exploring the distribution Φ_{L}(y) of its centered and normalized magnetization y in the large-L limit. An integral representation of the cumulant generating function, known from earlier works, is used for the numerical evaluation of Φ_{L}(y), and the limit distribution Φ_{L→∞}(y)=Φ_{0}(y) is obtained with high precision. The two leading finite-size corrections Φ_{L}(y)-Φ_{0}(y)≈a_{1}(L)Φ_{1}(y)+a_{2}(L)Φ_{2}(y) are also extracted both from numerics and from analytic calculations. We find that the amplitude a_{1}(L) scales as ln(L/L_{0})/L^{2} and the shape correction function Φ_{1}(y) can be expressed through the low-order derivatives of the limit distribution, Φ_{1}(y)=[yΦ_{0}(y)+Φ_{0}^{'}(y)]^{'}. Thus, Φ_{1}(y) carries the same universal features as the limit distribution and can be used for consistency checks of universality claims based on finite-size systems. The second finite-size correction has an amplitude a_{2}(L)∝1/L^{2} and one finds that a_{2}Φ_{2}(y)≪a_{1}Φ_{1}(y) already for small system size (L>10). We illustrate the feasibility of observing the calculated finite-size corrections by performing simulations of the XY model at low temperatures, including T=0. PMID:27627284

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

    PubMed

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

    2016-09-01

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

  13. Finite temperature effect in infrared-improved AdS/QCD model with back reaction of bulk vacuum

    NASA Astrophysics Data System (ADS)

    Cui, Ling-Xiao; Fang, Zhen; Wu, Yue-Liang

    2016-06-01

    Based on an IR-improved soft-wall AdS/QCD model for mesons, which provides a consistent prediction for the mass spectra of resonance scalar, pseudoscalar, vector and axial-vector mesons, we investigate its finite temperature effect. By analyzing the spectral function of mesons and fitting it with a Breit-Wigner form, we perform an analysis for the critical temperature of mesons. The back-reaction effects of bulk vacuum are considered and the thermal mass spectral function of resonance mesons is calculated based on the back-reaction improved action. A reasonable melting temperature is found to be T c ≈ 150 ± 7 MeV, which is consistent with the recent results from lattice QCD simulations. Supported by National Nature Science Foundation of China (NSFC)(10975170, 10905084, 10821504), and Project of Knowledge Innovation Program (PKIP) of Chinese Academy of Science

  14. Generalizing the self-healing diffusion Monte Carlo approach to finite temperature: a path for the optimization of low-energy many-body basis expansions

    SciTech Connect

    Kim, Jeongnim; Reboredo, Fernando A

    2014-01-01

    The self-healing diffusion Monte Carlo method for complex functions [F. A. Reboredo J. Chem. Phys. {\\bf 136}, 204101 (2012)] and some ideas of the correlation function Monte Carlo approach [D. M. Ceperley and B. Bernu, J. Chem. Phys. {\\bf 89}, 6316 (1988)] are blended to obtain a method for the calculation of thermodynamic properties of many-body systems at low temperatures. In order to allow the evolution in imaginary time to describe the density matrix, we remove the fixed-node restriction using complex antisymmetric trial wave functions. A statistical method is derived for the calculation of finite temperature properties of many-body systems near the ground state. In the process we also obtain a parallel algorithm that optimizes the many-body basis of a small subspace of the many-body Hilbert space. This small subspace is optimized to have maximum overlap with the one expanded by the lower energy eigenstates of a many-body Hamiltonian. We show in a model system that the Helmholtz free energy is minimized within this subspace as the iteration number increases. We show that the subspace expanded by the small basis systematically converges towards the subspace expanded by the lowest energy eigenstates. Possible applications of this method to calculate the thermodynamic properties of many-body systems near the ground state are discussed. The resulting basis can be also used to accelerate the calculation of the ground or excited states with Quantum Monte Carlo.

  15. Electrical properties of teflon and ceramic capacitors at high temperatures

    NASA Technical Reports Server (NTRS)

    Hammoud, A. N.; Baumann, E. D.; Myers, I. T.; Overton, E.

    1992-01-01

    Space power systems and components are often required to operate efficiently and reliably in harsh environments where stresses, such as high temperature, are encountered. These systems must, therefore, withstand exposure to high temperature while still providing good electrical and other functional properties. Experiments were carried out to evaluate Teflon and ceramic capacitors for potential use in high temperature applications. The capacitors were characterized in terms of their capacitance and dielectric loss as a function of temperature, up to 200 C. At a given temperature, these properties were obtained in a frequency range of 50 Hz to 100 kHz. DC leakage current measurements were also performed in a temperature range from 25 to 200 C. The results obtained are discussed and conclusions are made concerning the suitability of the capacitors studied for high temperature applications.

  16. Modeling nuclear 'pasta' and the transition to uniform nuclear matter with the 3D Skyrme-Hartree-Fock method at finite temperature: Core-collapse supernovae

    SciTech Connect

    Newton, W. G.; Stone, J. R.

    2009-05-15

    The first results of a new three-dimensional, finite temperature Skyrme-Hartree-Fock+BCS study of the properties of inhomogeneous nuclear matter at densities and temperatures leading to the transition to uniform nuclear matter are presented. Calculations are carried out in a cubic box representing a unit cell of the locally periodic structure of the matter. A constraint is placed on the two independent components of the quadrupole moment of the neutron density to investigate the dependence of the total energy density of matter on the geometry of the nuclear structure in the unit cell. This approach allows self-consistent modeling of effects such as (i) neutron drip, resulting in a neutron gas external to the nuclear structure; (ii) shell effects of bound and unbound nucleons; (iii) the variety of exotic nuclear shapes that emerge, collectively termed nuclear pasta; and (iv) the dissolution of these structures into uniform nuclear matter as density and/or temperature increase. In Part I of this work the calculation of the properties of inhomogeneous nuclear matter in the core collapse of massive stars is reported. Emphasis is on exploring the effects of the numerical method on the results obtained; notably, the influence of the finite cell size on the nuclear shapes and energy-density obtained. Results for nuclear matter in {beta} equilibrium in cold neutrons stars are the subject of Part II. The calculation of the band structure of unbound neutrons in neutron star matter, yielding thermal conductivity, specific heat, and entrainment parameters, is outlined in Part III. Calculations are performed at baryon number densities of n{sub b}=0.04-0.12 fm{sup -3}, a proton fraction of y{sub p}=0.3 and temperatures in the range 0-7.5 MeV. A wide variety of nuclear shapes are shown to emerge. It is suggested that thermodynamical properties change smoothly in the pasta regime up to the transition to uniform matter; at that transition, thermodynamic properties of the matter

  17. Review of temperature dependence of thermal properties, dielectric properties, and perfusion of biological tissues at hyperthermic and ablation temperatures.

    PubMed

    Rossmanna, Christian; Haemmerich, Dieter

    2014-01-01

    The application of supraphysiological temperatures (>40°C) to biological tissues causes changes at the molecular, cellular, and structural level, with corresponding changes in tissue function and in thermal, mechanical and dielectric tissue properties. This is particularly relevant for image-guided thermal treatments (e.g. hyperthermia and thermal ablation) delivering heat via focused ultrasound (FUS), radiofrequency (RF), microwave (MW), or laser energy; temperature induced changes in tissue properties are of relevance in relation to predicting tissue temperature profile, monitoring during treatment, and evaluation of treatment results. This paper presents a literature survey of temperature dependence of electrical (electrical conductivity, resistivity, permittivity) and thermal tissue properties (thermal conductivity, specific heat, diffusivity). Data of soft tissues (liver, prostate, muscle, kidney, uterus, collagen, myocardium and spleen) for temperatures between 5 to 90°C, and dielectric properties in the frequency range between 460 kHz and 3 GHz are reported. Furthermore, perfusion changes in tumors including carcinomas, sarcomas, rhabdomyosarcoma, adenocarcinoma and ependymoblastoma in response to hyperthmic temperatures up to 46°C are presented. Where appropriate, mathematical models to describe temperature dependence of properties are presented. The presented data is valuable for mathematical models that predict tissue temperature during thermal therapies (e.g. hyperthermia or thermal ablation), as well as for applications related to prediction and monitoring of temperature induced tissue changes. PMID:25955712

  18. Review of temperature dependence of thermal properties, dielectric properties, and perfusion of biological tissues at hyperthermic and ablation temperatures

    PubMed Central

    Rossmann, Christian; Haemmerich, Dieter

    2016-01-01

    The application of supraphysiological temperatures (>40°C) to biological tissues causes changes at the molecular, cellular, and structural level, with corresponding changes in tissue function and in thermal, mechanical and dielectric tissue properties. This is particularly relevant for image-guided thermal treatments (e.g. hyperthermia and thermal ablation) delivering heat via focused ultrasound (FUS), radiofrequency (RF), microwave (MW), or laser energy; temperature induced changes in tissue properties are of relevance in relation to predicting tissue temperature profile, monitoring during treatment, and evaluation of treatment results. This paper presents a literature survey of temperature dependence of electrical (electrical conductivity, resistivity, permittivity) and thermal tissue properties (thermal conductivity, specific heat, diffusivity). Data of soft tissues (liver, prostate, muscle, kidney, uterus, collagen, myocardium and spleen) for temperatures between 5 to 90°C, and dielectric properties in the frequency range between 460 kHz and 3 GHz are reported. Furthermore, perfusion changes in tumors including carcinomas, sarcomas, rhabdomyosarcoma, adenocarcinoma and ependymoblastoma in response to hyperthmic temperatures up to 46°C are presented. Where appropriate, mathematical models to describe temperature dependence of properties are presented. The presented data is valuable for mathematical models that predict tissue temperature during thermal therapies (e.g. hyperthermia or thermal ablation), as well as for applications related to prediction and monitoring of temperature induced tissue changes. PMID:25955712

  19. Non-Markovian finite-temperature two-time correlation functions of system operators of a pure-dephasing model

    SciTech Connect

    Goan, Hsi-Sheng; Jian, Chung-Chin; Chen, Po-Wen

    2010-07-15

    We evaluate the non-Markovian finite-temperature two-time correlation functions (CF's) of system operators of a pure-dephasing spin-boson model in two different ways, one by the direct exact operator technique and the other by the recently derived evolution equations, valid to second order in the system-environment interaction Hamiltonian. This pure-dephasing spin-boson model that is exactly solvable has been extensively studied as a simple decoherence model. However, its exact non-Markovian finite-temperature two-time system operator CF's, to our knowledge, have not been presented in the literature. This may be mainly due to the fact, illustrated in this article, that in contrast to the Markovian case, the time evolution of the reduced density matrix of the system (or the reduced quantum master equation) alone is not sufficient to calculate the two-time system operator CF's of non-Markovian open systems. The two-time CF's obtained using the recently derived evolution equations in the weak system-environment coupling case for this non-Markovian pure-dephasing model happen to be the same as those obtained from the exact evaluation. However, these results significantly differ from the non-Markovian two-time CF's obtained by wrongly directly applying the quantum regression theorem (QRT), a useful procedure to calculate the two-time CF's for weak-coupling Markovian open systems. This demonstrates clearly that the recently derived evolution equations generalize correctly the QRT to non-Markovian finite-temperature cases. It is believed that these evolution equations will have applications in many different branches of physics.

  20. Non-Markovian finite-temperature two-time correlation functions of system operators of a pure-dephasing model

    NASA Astrophysics Data System (ADS)

    Goan, Hsi-Sheng; Jian, Chung-Chin; Chen, Po-Wen

    2010-07-01

    We evaluate the non-Markovian finite-temperature two-time correlation functions (CF’s) of system operators of a pure-dephasing spin-boson model in two different ways, one by the direct exact operator technique and the other by the recently derived evolution equations, valid to second order in the system-environment interaction Hamiltonian. This pure-dephasing spin-boson model that is exactly solvable has been extensively studied as a simple decoherence model. However, its exact non-Markovian finite-temperature two-time system operator CF’s, to our knowledge, have not been presented in the literature. This may be mainly due to the fact, illustrated in this article, that in contrast to the Markovian case, the time evolution of the reduced density matrix of the system (or the reduced quantum master equation) alone is not sufficient to calculate the two-time system operator CF’s of non-Markovian open systems. The two-time CF’s obtained using the recently derived evolution equations in the weak system-environment coupling case for this non-Markovian pure-dephasing model happen to be the same as those obtained from the exact evaluation. However, these results significantly differ from the non-Markovian two-time CF’s obtained by wrongly directly applying the quantum regression theorem (QRT), a useful procedure to calculate the two-time CF’s for weak-coupling Markovian open systems. This demonstrates clearly that the recently derived evolution equations generalize correctly the QRT to non-Markovian finite-temperature cases. It is believed that these evolution equations will have applications in many different branches of physics.

  1. Ohmic spin injection from a half-metal at finite temperatures: Is the conductivity mismatch problem relevant?

    NASA Astrophysics Data System (ADS)

    Glasbrenner, James; Wysocki, Aleksander; Belashchenko, Kirill

    2011-03-01

    Spin injection from a normal ferromagnet into a semiconductor requires a highly-resistive tunnel or Schottky barrier at the interface to overcome the conductivity mismatch problem. This barrier limits the current that can be achieved in a device. A half-metallic ferromagnet used as a spin injector obviously overcomes this problem at zero temperature, but the situation at finite temperatures is nontrivial. We argue that the two-current model is inapplicable to half-metals, and that Ohmic (barrierless) spin injection from a half-metal is possible even at finite temperatures. This conclusion is reached using an intuitive model which sums up multiple scatterings at the interface. To complement this model, we calculate the spin injection efficiency for a half-metallic electrode using a single-band tight-binding model with explicit statistical averaging over thermal spin fluctuations. The results are contrasted with the case of a normal ferromagnet. We also consider a practically interesting case of a CrAs electrode within the tight-binding LMTO method.

  2. Rationalizing the role of structural motif and underlying electronic structure in the finite temperature behavior of atomic clusters

    SciTech Connect

    Susan, Anju; Joshi, Kavita

    2014-04-21

    Melting in finite size systems is an interesting but complex phenomenon. Many factors affect melting and owing to their interdependencies it is a challenging task to rationalize their roles in the phase transition. In this work, we demonstrate how structural motif of the ground state influences melting transition in small clusters. Here, we report a case with clusters of aluminum and gallium having same number of atoms, valence electrons, and similar structural motif of the ground state but drastically different melting temperatures. We have employed Born-Oppenheimer molecular dynamics to simulate the solid-like to liquid-like transition in these clusters. Our simulations have reproduced the experimental trends fairly well. Further, the detailed analysis of isomers has brought out the role of the ground state structure and underlying electronic structure in the finite temperature behavior of these clusters. For both clusters, isomers accessible before cluster melts have striking similarities and does have strong influence of the structural motif of the ground state. Further, the shape of the heat capacity curve is similar in both the cases but the transition is more spread over for Al{sub 36} which is consistent with the observed isomerization pattern. Our simulations also suggest a way to characterize transition region on the basis of accessibility of the ground state at a specific temperature.

  3. Thermodynamic properties of UF6 at high temperatures

    NASA Technical Reports Server (NTRS)

    Hassan, H. A.; Deese, J. E.

    1974-01-01

    The equilibrium composition and the thermodynamic properties of the mixture resulting from the decomposition of uranium hexafluoride is calculated for temperatures ranging from 600 K to 4000 K at pressures from 0.01 atmospheres to 10 atmospheres.

  4. Landau-Ginzburg perspective of finite-temperature phase diagrams of a two-component Fermi-Bose mixture

    SciTech Connect

    Fodor, Michael; Ling, Hong Y.

    2010-10-15

    We consider a mixture of two-component Fermi and (one-component) Bose gases under the repulsive Bose-Fermi and attractive Fermi-Fermi interactions. We perform a systematic study of the finite-temperature phase diagrams in the chemical potential space, identifying, using the Landau-Ginzburg theory, the features generic to the phase diagrams within the validity of our model. We apply the theory to explore the physics of correlated BCS pairing among fermions in a tightly confined trap surrounded by a large Bose-Einstein condensate gas.

  5. Shape memory polymers with high and low temperature resistant properties

    PubMed Central

    Xiao, Xinli; Kong, Deyan; Qiu, Xueying; Zhang, Wenbo; Liu, Yanju; Zhang, Shen; Zhang, Fenghua; Hu, Yang; Leng, Jinsong

    2015-01-01

    High temperature shape memory polymers that can withstand the harsh temperatures for durable applications are synthesized, and the aromatic polyimide chains with flexible linkages within the backbone act as reversible phase. High molecular weight (Mn) is demanded to form physical crosslinks as fixed phase of thermoplastic shape memory polyimide, and the relationship between Mn and glass transition temperature (Tg) is explored. Thermoset shape memory polyimide shows higher Tg and storage modulus, better shape fixity than thermoplastic counterpart due to the low-density covalent crosslinking, and the influence of crosslinking on physical properties are studied. The mechanism of high temperature shape memory effects based on chain flexibility, molecular weight and crosslink density is proposed. Exposure to thermal cycling from +150 °C to −150 °C for 200 h produces negligible effect on the properties of the shape memory polyimide, and the possible mechanism of high and low temperature resistant property is discussed. PMID:26382318

  6. Shape memory polymers with high and low temperature resistant properties.

    PubMed

    Xiao, Xinli; Kong, Deyan; Qiu, Xueying; Zhang, Wenbo; Liu, Yanju; Zhang, Shen; Zhang, Fenghua; Hu, Yang; Leng, Jinsong

    2015-01-01

    High temperature shape memory polymers that can withstand the harsh temperatures for durable applications are synthesized, and the aromatic polyimide chains with flexible linkages within the backbone act as reversible phase. High molecular weight (Mn) is demanded to form physical crosslinks as fixed phase of thermoplastic shape memory polyimide, and the relationship between Mn and glass transition temperature (Tg) is explored. Thermoset shape memory polyimide shows higher Tg and storage modulus, better shape fixity than thermoplastic counterpart due to the low-density covalent crosslinking, and the influence of crosslinking on physical properties are studied. The mechanism of high temperature shape memory effects based on chain flexibility, molecular weight and crosslink density is proposed. Exposure to thermal cycling from +150 °C to -150 °C for 200 h produces negligible effect on the properties of the shape memory polyimide, and the possible mechanism of high and low temperature resistant property is discussed.

  7. Simulation of thermal ablation by high-intensity focused ultrasound with temperature-dependent properties.

    PubMed

    Huang, C W; Sun, M K; Chen, B T; Shieh, J; Chen, C S; Chen, W S

    2015-11-01

    An integrated computational framework was developed in this study for modeling high-intensity focused ultrasound (HIFU) thermal ablation. The temperature field was obtained by solving the bioheat transfer equation (BHTE) through the finite element method; while, the thermal lesion was considered as a denatured material experiencing phase transformation and modeled with the latent heat. An equivalent attenuation coefficient, which considers the temperature-dependent properties of the target material and the ultrasound diffraction due to bubbles, was proposed in the nonlinear thermal transient analysis. Finally, a modified thermal dose formulation was proposed to predict the lesion size, shape and location. In-vitro thermal ablation experiments on transparent tissue phantoms at different energy levels were carried out to validate this computational framework. The temperature histories and lesion areas from the proposed model show good correlation with those from the in-vitro experiments. PMID:26186867

  8. Simulation of thermal ablation by high-intensity focused ultrasound with temperature-dependent properties.

    PubMed

    Huang, C W; Sun, M K; Chen, B T; Shieh, J; Chen, C S; Chen, W S

    2015-11-01

    An integrated computational framework was developed in this study for modeling high-intensity focused ultrasound (HIFU) thermal ablation. The temperature field was obtained by solving the bioheat transfer equation (BHTE) through the finite element method; while, the thermal lesion was considered as a denatured material experiencing phase transformation and modeled with the latent heat. An equivalent attenuation coefficient, which considers the temperature-dependent properties of the target material and the ultrasound diffraction due to bubbles, was proposed in the nonlinear thermal transient analysis. Finally, a modified thermal dose formulation was proposed to predict the lesion size, shape and location. In-vitro thermal ablation experiments on transparent tissue phantoms at different energy levels were carried out to validate this computational framework. The temperature histories and lesion areas from the proposed model show good correlation with those from the in-vitro experiments.

  9. Thermal stresses in a spherical pressure vessel having temperature-dependent, transversely isotropic, elastic properties

    NASA Technical Reports Server (NTRS)

    Tauchert, T. R.

    1976-01-01

    Rayleigh-Ritz and modified Rayleigh-Ritz procedures are used to construct approximate solutions for the response of a thick-walled sphere to uniform pressure loads and an arbitrary radial temperature distribution. The thermoelastic properties of the sphere are assumed to be transversely isotropic and nonhomogeneous; variations in the elastic stiffness and thermal expansion coefficients are taken to be an arbitrary function of the radial coordinate and temperature. Numerical examples are presented which illustrate the effect of the temperature-dependence upon the thermal stress field. A comparison of the approximate solutions with a finite element analysis indicates that Ritz methods offer a simple, efficient, and relatively accurate approach to the problem.

  10. Frequency and temperature dependence of dielectric properties of chicken meat

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Dielectric properties of chicken breast meat were measured with an open-ended coaxial-line probe between 200 MHz and 20 GHz at temperatures ranging from -20 degree C to +25 degree C. At a given temperature, the frequency dependence of the dielectric constant reveals two relaxations while those of th...

  11. Containerless high temperature property measurements by atomic fluorescence

    NASA Technical Reports Server (NTRS)

    Schiffman, R. A.; Walker, C. A.

    1984-01-01

    Laser induced fluorescence (LIF) techniques for containerless study of high temperature processes and material properties was studied. Gas jet and electromagnetic levitation and electromagnetic and laser heating techniques are used with LIF in earth-based containerless high temperature experiments. Included are the development of an apparatus and its use in the studies of (1) chemical reactions on Al2O3, molybdenum, tungsten and LaB6 specimens, (2) methods for noncontact specimen temperature measurement, (3) levitation jet properties and (4) radiative lifetime and collisional energy transfer rates for electronically excited atoms.

  12. Containerless high temperature property measurements by atomic fluorescence

    NASA Technical Reports Server (NTRS)

    1983-01-01

    The use of laser induced fluorescence (LIF) techniques for containerless study of high temperature processes and material properties is studied. Gas jet and electromagnetic levitation and electromagnetic and laser heating techniques are used with LIF in Earth-based containerless high temperature experiments. The work to date includes development of an apparatus and its use in studies of chemical reactions on Al2O3, molybdenum, and tungsten specimens, novel methods for noncontact specimen temperature measurement, and levitation jet properties. Brief summaries of these studies are given. The apparatus is described and detailed results for the current reporting period are presented.

  13. A method for investigating the mechanical properties of intracoronary stents using finite element numerical simulation.

    PubMed

    Tan, L B; Webb, D C; Kormi, K; Al-Hassani, S T

    2001-03-01

    The proliferation of stent designs poses difficult problems to clinicians, who have to learn the relative merits of all stents to ensure optimal selection for each lesion, and also to regulatory authorities who have the dilemma of preventing the inappropriate marketing of substandard stents while not denying patients the benefits of advanced technology. Of the major factors influencing long-term results, those of patency and restenosis are being actively studied whereas the mechanical characteristics of devices influencing the technical results of stenting remain under-investigated. Each different stent design has its own particular features. A robust method for the independent objective comparison of the mechanical performance of each design is required. To do this by experimental measurement alone may be prohibitively expensive. A less costly option is to combine computer analysis, employing the standard numerical technique of the finite element method (FEM), with targeted experimental measurements of the specific mechanical behaviour of stents. In this paper the FEM technique is used to investigate the structural behaviour of two different stent geometries: Freedom stent geometry and Palmaz-Schatz (P-S) stent geometry. The effects of altering the stent geometry, the stent wire diameter and contact with (and material properties of) a hard eccentric intravascular lesion (simulating a calcified plaque) on stent mechanical performance were investigated. Increasing the wire diameter and the arterial elastic modulus by 150% results in the need to increase the balloon pressure to expand the stent by 10-fold. Increasing the number of circumferential convolutions increases the pressure required to initiate radial expansion of mounted stents. An incompressible plaque impinging on the mid portion of a stent causes a gross distortion of the Freedom stent and an hour-glass deformity in the P-S stent. These findings are of relevance for future comparative studies of the

  14. Propulsive performance of a finite-temperature plasma flow in a magnetic nozzle with applied azimuthal current

    SciTech Connect

    Ferrario, Lorenzo; Little, Justin M. Choueiri, Edgar Y.

    2014-11-15

    The plasma flow in a finite-electron-temperature magnetic nozzle, under the influence of an applied azimuthal current at the throat, is modeled analytically to assess its propulsive performance. A correction to the nozzle throat boundary conditions is derived by modifying the radial equilibrium of a magnetized infinite two-population cylindrical plasma column with the insertion of an external azimuthal body force for the electrons. Inclusion of finite-temperature effects, which leads to a modification of the radial density profile, is necessary for calculating the propulsive performance, which is represented by nozzle divergence efficiency and thrust coefficient. The solutions show that the application of the azimuthal current enhances all the calculated performance parameters through the narrowing of the radial density profile at the throat, and that investing power in this beam focusing effect is more effective than using the same power to pre-heat the electrons. The results open the possibility for the design of a focusing stage between the plasma source and the nozzle that can significantly enhance the propulsive performance of electron-driven magnetic nozzles.

  15. Stationary Measures for Two Dual Families of Finite and Zero Temperature Models of Directed Polymers on the Square Lattice

    NASA Astrophysics Data System (ADS)

    Thiery, Thimothée

    2016-10-01

    We study the recently introduced Inverse-Beta (IB) polymer, an exactly solvable, anisotropic finite temperature model of directed polymer on the square lattice, and obtain its stationary measure. In parallel we introduce an anisotropic zero temperature model of directed polymer on the square lattice, the Bernoulli-Geometric polymer, and obtain its stationary measure. This new exactly solvable model is dual to the IB polymer and interpolates between models of first and last passage percolation on the square lattice. Both stationary measures are shown to satisfy detailed balance. We also obtain the asymptotic mean value of (i) the free-energy of the IB polymer; (ii) the optimal energy of the Bernoulli-Geometric polymer. We discuss the convergence of both models to their stationary state. We perform simulations of the Bernoulli-Geometric polymer that confirm our results.

  16. Stationary Measures for Two Dual Families of Finite and Zero Temperature Models of Directed Polymers on the Square Lattice

    NASA Astrophysics Data System (ADS)

    Thiery, Thimothée

    2016-08-01

    We study the recently introduced Inverse-Beta (IB) polymer, an exactly solvable, anisotropic finite temperature model of directed polymer on the square lattice, and obtain its stationary measure. In parallel we introduce an anisotropic zero temperature model of directed polymer on the square lattice, the Bernoulli-Geometric polymer, and obtain its stationary measure. This new exactly solvable model is dual to the IB polymer and interpolates between models of first and last passage percolation on the square lattice. Both stationary measures are shown to satisfy detailed balance. We also obtain the asymptotic mean value of (i) the free-energy of the IB polymer; (ii) the optimal energy of the Bernoulli-Geometric polymer. We discuss the convergence of both models to their stationary state. We perform simulations of the Bernoulli-Geometric polymer that confirm our results.

  17. Phase lamination in a t-J bilayer at finite temperature

    NASA Astrophysics Data System (ADS)

    Voo, Khee-Kyun

    2016-05-01

    A bilayered t- J model is investigated with a slave boson mean field theory. A spontaneous phase lamination (PL) into a layer dominated by antiferromagnetism (AFM) and a layer dominated by superconductivity (SC) is found at a low doping density and low temperature regime. Raising the temperature removes the PL and SC, turns the system into a homogeneously antiferromagnetic (AF) bilayer, and eventually a homogeneously paramagnetic bilayer at high temperature. The PL circumvents the competition between AFM and SC, and may result in a higher superconducting transition temperature. The density of states of low energy single particle excitation in the homogeneously AF state at intermediate temperature is reduced by the AF scattering. The relation between this study and the bilayered superconducting cuprates is discussed.

  18. Finite-temperature elastic constants of paramagnetic materials within the disordered local moment picture from ab initio molecular dynamics calculations

    NASA Astrophysics Data System (ADS)

    Mozafari, E.; Shulumba, N.; Steneteg, P.; Alling, B.; Abrikosov, Igor A.

    2016-08-01

    We present a theoretical scheme to calculate the elastic constants of magnetic materials in the high-temperature paramagnetic state. Our approach is based on a combination of disordered local moments picture and ab initio molecular dynamics (DLM-MD). Moreover, we investigate a possibility to enhance the efficiency of the simulations of elastic properties using the recently introduced method: symmetry imposed force constant temperature-dependent effective potential (SIFC-TDEP). We have chosen cubic paramagnetic CrN as a model system. This is done due to its technological importance and its demonstrated strong coupling between magnetic and lattice degrees of freedom. We have studied the temperature-dependent single-crystal and polycrystalline elastic constants of paramagentic CrN up to 1200 K. The obtained results at T = 300 K agree well with the experimental values of polycrystalline elastic constants as well as the Poisson ratio at room temperature. We observe that the Young's modulus is strongly dependent on temperature, decreasing by ˜14 % from T = 300 K to 1200 K. In addition we have studied the elastic anisotropy of CrN as a function of temperature and we observe that CrN becomes substantially more isotropic as the temperature increases. We demonstrate that the use of Birch law may lead to substantial errors for calculations of temperature induced changes of elastic moduli. The proposed methodology can be used for accurate predictions of mechanical properties of magnetic materials at temperatures above their magnetic order-disorder phase transition.

  19. Ruderman-Kittel-Kasuya-Yosida interaction at finite temperature: Graphene and bilayer graphene

    NASA Astrophysics Data System (ADS)

    Klier, N.; Shallcross, S.; Sharma, S.; Pankratov, O.

    2015-11-01

    We investigate the Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction between magnetic impurities in both single layer and Bernal stacked bilayer graphene, finding a number of striking anomalies in the temperature dependence of this interaction. In undoped single layer graphene the strength of the RKKY interaction for substitutional impurities anomalously increases upon increasing temperature, an effect that persists up to and beyond room temperature. For impurities intercalated in the Bernal stacked bilayer and a doping that places the chemical potential near the antibonding band edge, a qualitative change of the RKKY interaction with temperature occurs: a low-temperature oscillatory interaction develops into a high-temperature antiferromagnetic coupling, accompanied by an overall increase of the interaction strength. The origin of the temperature anomalies can be traced back to specific features of the density of states: the vanishing density of states at the apex of the Dirac cone in single layer graphene, and the "kink" in the density of states at the antibonding band edge in the case of the Bernal bilayer.

  20. Deconfinement and hadron properties at extremes of temperature and density

    SciTech Connect

    Blaschke, D.; Roberts, C.D.

    1998-08-01

    After introducing essential, qualitative concepts and results, the authors discuss the application of Dyson-Schwinger equations to QCD at finite T and {mu}. They summarize the calculation of the critical exponents of two-light-flavor QCD using the chiral and thermal susceptibilities; and an algebraic model that elucidates the origin of an anticorrelation between the {mu}- and T-dependence of a range of meson properties. That model also provides an algebraic understanding of why the finite-T behavior of bulk thermodynamic properties is mirrored in their {mu}-dependence, and why meson masses decrease with {mu} even though f{sub {pi}} and {minus}<{anti q}q> increase. The possibility of diquark condensation is canvassed. Its realization is uncertain because it is contingent upon an assumption abut the quark-quark scattering kernel that is demonstrably false in some applications; e.g., it predicts the existence of colored diquarks in the strong interaction spectrum, which are not observed.

  1. Finite Element Study into the effect of footwear temperature on the Forces transmitted to the foot during quasi- static compression loading

    NASA Astrophysics Data System (ADS)

    Shariatmadari, M. R.; English, R.; Rothwell, G.

    2010-06-01

    The determination of plantar stresses using computational footwear models which include temperature effects are crucial to predict foam performance in service and to aid material development and product design. Finite Element Method (FEM) provides an efficient computational framework to investigate the foot-footwear interaction. The aim of this research is to use FEM to investigate the effect of varying footwear temperature on plantar stresses. The results obtained will provide data which can be used to help optimise shoe design in terms of minimising damaging stresses in the foot particularly for individuals with diabetes who are susceptible to lower extremity complications. The FE simulation results showed significant reductions in foot stresses with the modifications from FE model (1) without footwear to model (2) with midsole only and to model (3) with midsole and insole. In summary, insole and midsole layers made from various foam materials aim to reduce the Ground Reaction Forces (GRF's) and foot stresses considerably and temperature variation can affect their cushioning and consequently the shock attenuation properties. The loss of footwear cushioning effect can have important clinical implications for those individuals with a history of lower limb overuse injuries or diabetes.

  2. Challenges in Characterizing Low-Temperature Regolith Properties

    NASA Technical Reports Server (NTRS)

    Swanger, Adam Michael; Mantovani, James G.

    2014-01-01

    The success or failure of in-situ resource utilization for planetary surface exploration--be it for scientific, colonization or commercialization purposes--relies heavily on the ability to design and implement systems which effectively process the associated regolith and exploit its benefits. In most cases this challenge necessarily includes the characterization of low-temperature (cryogenic) properties; as many celestial destinations of interest, such as the moon, Mars and asteroids, have little or no atmosphere to help sustain the consistently "high" surface temperatures seen on planets such as Earth, and therefore can experience permanent cryogenic temperatures or dramatic cyclical changes. Characterization of physical properties (such as specific heat, thermal and electrical conductivity, etc.) over the entire temperature profile is undoubtedly an important piece of the puzzle; however, the impact on mechanical properties due to the introduction of icy deposit must also be explored in order to devise effective and robust excavation technologies. Currently the Granular Mechanics and Regolith Operations Lab and the Cryogenics Test Lab at NASA Kennedy Space Center are developing technologies and experimental methods to address these challenges and aid in the characterization of physical and mechanical properties of regolith at cryogenic temperatures. This presentation will review the current state of knowledge concerning lunar regolith at low temperature including that of icy regolith.

  3. High-Temperature Properties of Piezoelectric Langatate Single Crystals

    NASA Technical Reports Server (NTRS)

    Sehirlioglu, Alp; Sayir, Ali; Klemenz, Christine

    2007-01-01

    Langasite type crystals belong to non-polar point group of 32 and do not show any phase transformations up to the melting temperature. Langatate (La3Ga(5.5)Ta(0.5)O14) demonstrates piezoelectric activity better than quartz and possesses attractive properties for high temperature sensors, resonators and filter applications. High-quality and colorless langatate crystals were grown by the Czochralski technique. The electromechanical and electrical properties of langatate crystals in different crystallographic directions were characterized at elevated temperature. The piezoelectric coefficient along x-axis was 7 pC/N as measured by a Berlincourt meter for a plate geometry with an aspect ratio of 10:1. The dielectric constant did not exhibit any significant temperature dependence (K33 approx. 21 at 30 C and K33 approx. 23 at 600 C). Loss tangent at 100 kHz remained <0.003 up to 300 C and <0.65 at 600 C. The dielectric properties along the y-axis were similar and its temperature dependence was analogous to the x-axis. Electromechanically, the inactive z-axis exhibited no resonance with K33 approx. 84 at room temperature, decreasing down to approx. 49 at 600 C. Resistivity of these crystals along x-axis decreased from approx. 6x10(exp 11) omega-cm at room temperature, to approx. 1.6x10(exp 6) omega-cm at 600 C.

  4. Theory of neutron scattering from superfluid 4He at finite temperatures

    NASA Astrophysics Data System (ADS)

    Talbot, E.; Griffin, A.

    1984-03-01

    The dynamic structure factor S(Q-->,ω) for a Bose-condensed system is calculated microscopically at temperatures where there are a significant number of thermally excited quasiparticles present. Our work is based on the one-loop diagrammatic approximation, which has been used by Wong and Gould to discuss the low-temperature limit. In our numerical calculations (for Q=0.35 and 0.8 Å-1) of proper, irreducible quantities, we use the Bogoliubov approximation for the coherence factors in conjunction with the experimentally determined quasiparticle spectrum. We find that at high temperatures, the collisionless phonon resonance exhibited by S(Q-->,ω) has a width which increases with the number of thermally excited rotons, in rough agreement with the neutron scattering data of Cowley and Woods as well as those of Woods and Svensson. Our results are compared with those based on a phenomenological treatment of the phonon-roton coupling.

  5. Finite-temperature modification of heavy particle decay and dark matter annihilation

    NASA Astrophysics Data System (ADS)

    Beneke, Martin; Dighera, Francesco; Hryczuk, Andrzej

    2016-09-01

    We apply the operator product expansion (OPE) technique to the decay and annihilation of heavy particles in a thermal medium with temperature below the heavy particle mass, m χ. This allows us to explain two interesting observations made before: a) that the leading thermal correction to the decay width of a charged particle is the same multiplicative factor of the zero-temperature width for a two-body decay and muon decay, and b) that the leading thermal correction to fermionic dark matter annihilation arises only at order T 4/ m χ 4 . The OPE further considerably simplifies the computation and factorizes it into model-independent matrix elements in the thermal background, and short-distance coefficients to be computed in zero-temperature field theory.

  6. Finite volume analysis of temperature effects induced by active MRI implants with cylindrical symmetry: 1. Properly working devices

    PubMed Central

    Busch, Martin HJ; Vollmann, Wolfgang; Schnorr, Jörg; Grönemeyer, Dietrich HW

    2005-01-01

    Background Active Magnetic Resonance Imaging implants are constructed as resonators tuned to the Larmor frequency of a magnetic resonance system with a specific field strength. The resonating circuit may be embedded into or added to the normal metallic implant structure. The resonators build inductively coupled wireless transmit and receive coils and can amplify the signal, normally decreased by eddy currents, inside metallic structures without affecting the rest of the spin ensemble. During magnetic resonance imaging the resonators generate heat, which is additional to the usual one described by the specific absorption rate. This induces temperature increases of the tissue around the circuit paths and inside the lumen of an active implant and may negatively influence patient safety. Methods This investigation provides an overview of the supplementary power absorbed by active implants with a cylindrical geometry, corresponding to vessel implants such as stents, stent grafts or vena cava filters. The knowledge of the overall absorbed power is used in a finite volume analysis to estimate temperature maps around different implant structures inside homogeneous tissue under worst-case assumptions. The "worst-case scenario" assumes thermal heat conduction without blood perfusion inside the tissue around the implant and mostly without any cooling due to blood flow inside vessels. Results The additional power loss of a resonator is proportional to the volume and the quality factor, as well as the field strength of the MRI system and the specific absorption rate of the applied sequence. For properly working devices the finite volume analysis showed only tolerable heating during MRI investigations in most cases. Only resonators transforming a few hundred mW into heat may reach temperature increases over 5 K. This requires resonators with volumes of several ten cubic centimeters, short inductor circuit paths with only a few 10 cm and a quality factor above ten. Using MR

  7. Dynamic properties of human tympanic membrane based on frequency-temperature superposition.

    PubMed

    Zhang, Xiangming; Gan, Rong Z

    2013-01-01

    The human tympanic membrane (TM) transfers sound in the ear canal into the mechanical vibration of the ossicles in the middle ear. The dynamic properties of TM directly affect the middle ear transfer function. The static or quasi-static mechanical properties of TM were reported in the literature, but the dynamic properties of TM over the auditory frequency range are very limited. In this paper, a new method was developed to measure the dynamic properties of human TM using the Dynamic-Mechanical Analyzer (DMA). The test was conducted at the frequency range of 1-40 Hz at three different temperatures: 5, 25, and 37 °C. The frequency-temperature superposition was applied to extend the testing frequency range to a much higher level (at least 3800 Hz). The generalized linear solid model was employed to describe the constitutive relation of the TM. The storage modulus E' and the loss modulus E″ were obtained from 11 specimens. The mean storage modulus was 15.1 MPa at 1 Hz and 27.6 MPa at 3800 Hz. The mean loss modulus was 0.28 MPa at 1 Hz and 4.1 MPa at 3800 Hz. The results show that the frequency-temperature superposition is a feasible approach to study the dynamic properties of the ear soft tissues. The dynamic properties of human TM obtained in this study provide a better description of the damping behavior of ear tissues. The properties can be transferred into the finite element model of the human ear to replace the Rayleigh type damping. The data reported here contribute to the biomechanics of the middle ear and improve the accuracy of the FE model for the human ear. PMID:22820983

  8. Parity-violating electromagnetic interactions in three-dimensional QED at finite temperature

    SciTech Connect

    Brandt, F. T.; Das, Ashok; Frenkel, J.

    2000-10-15

    We study the parity-breaking terms generated by the box diagram in (2+1)-dimensional thermal QED. These lead, in the long wave limit, to a gauge invariant extensive action, which behaves as 1/T at high temperature. In contrast, the effective action in the static limit involves leading nonextensive terms proportional to 1/T{sup 3} at high temperature, which violate large gauge invariance. We derive a nonlinear large gauge Ward identity, which relates the leading static terms of different order in perturbation theory and whose solution coincides with the all order effective action proposed earlier.

  9. Modelling of drift wave turbulence with a finite ion temperature gradient

    SciTech Connect

    Hamaguchi, S.; Horton, W.

    1990-10-01

    With the use of consistent orderings in {var epsilon} = {rho}{sub s}/a and {delta} = k{sub {perpendicular}}{rho}{sub s} model equations are derived for the drift instabilities from the electrostatic two-fluid equations. The electrical resistivity {eta} included in the system allows the dynamics of both the collisional drift wave instability ({eta} {ne} 0) and the collisionless ion temperature gradient driven instability ({eta} = 0). The model equations used extensively in earlier nonlinear studies are obtained as appropriate limits of the model equations derived in the present work. The effects of sheared velocity flows in the equilibrium plasma and electron temperature fluctuations are also discussed. 14 refs.

  10. Finite Element Based Stress Analysis of Graphite Component in High Temperature Gas Cooled Reactor Core Using Linear and Nonlinear Irradiation Creep Models

    SciTech Connect

    Mohanty, Subhasish; Majumdar, Saurindranath

    2015-01-01

    Irradiation creep plays a major role in the structural integrity of the graphite components in high temperature gas cooled reactors. Finite element procedures combined with a suitable irradiation creep model can be used to simulate the time-integrated structural integrity of complex shapes, such as the reactor core graphite reflector and fuel bricks. In the present work a comparative study was undertaken to understand the effect of linear and nonlinear irradiation creep on results of finite element based stress analysis. Numerical results were generated through finite element simulations of a typical graphite reflector.

  11. Local and linear chemical reactivity response functions at finite temperature in density functional theory

    SciTech Connect

    Franco-Pérez, Marco E-mail: ayers@mcmaster.ca E-mail: avela@cinvestav.mx; Ayers, Paul W. E-mail: ayers@mcmaster.ca E-mail: avela@cinvestav.mx; Gázquez, José L. E-mail: ayers@mcmaster.ca E-mail: avela@cinvestav.mx; Vela, Alberto E-mail: ayers@mcmaster.ca E-mail: avela@cinvestav.mx

    2015-12-28

    We explore the local and nonlocal response functions of the grand canonical potential density functional at nonzero temperature. In analogy to the zero-temperature treatment, local (e.g., the average electron density and the local softness) and nonlocal (e.g., the softness kernel) intrinsic response functions are defined as partial derivatives of the grand canonical potential with respect to its thermodynamic variables (i.e., the chemical potential of the electron reservoir and the external potential generated by the atomic nuclei). To define the local and nonlocal response functions of the electron density (e.g., the Fukui function, the linear density response function, and the dual descriptor), we differentiate with respect to the average electron number and the external potential. The well-known mathematical relationships between the intrinsic response functions and the electron-density responses are generalized to nonzero temperature, and we prove that in the zero-temperature limit, our results recover well-known identities from the density functional theory of chemical reactivity. Specific working equations and numerical results are provided for the 3-state ensemble model.

  12. Local and linear chemical reactivity response functions at finite temperature in density functional theory.

    PubMed

    Franco-Pérez, Marco; Ayers, Paul W; Gázquez, José L; Vela, Alberto

    2015-12-28

    We explore the local and nonlocal response functions of the grand canonical potential density functional at nonzero temperature. In analogy to the zero-temperature treatment, local (e.g., the average electron density and the local softness) and nonlocal (e.g., the softness kernel) intrinsic response functions are defined as partial derivatives of the grand canonical potential with respect to its thermodynamic variables (i.e., the chemical potential of the electron reservoir and the external potential generated by the atomic nuclei). To define the local and nonlocal response functions of the electron density (e.g., the Fukui function, the linear density response function, and the dual descriptor), we differentiate with respect to the average electron number and the external potential. The well-known mathematical relationships between the intrinsic response functions and the electron-density responses are generalized to nonzero temperature, and we prove that in the zero-temperature limit, our results recover well-known identities from the density functional theory of chemical reactivity. Specific working equations and numerical results are provided for the 3-state ensemble model.

  13. Phase behaviors and membrane properties of model liposomes: temperature effect.

    PubMed

    Wu, Hsing-Lun; Sheng, Yu-Jane; Tsao, Heng-Kwong

    2014-09-28

    The phase behaviors and membrane properties of small unilamellar vesicles have been explored at different temperatures by dissipative particle dynamics simulations. The vesicles spontaneously formed by model lipids exhibit pre-transition from gel to ripple phase and main transition from ripple to liquid phase. The vesicle shape exhibits the faceted feature at low temperature, becomes more sphere-like with increasing temperature, but loses its sphericity at high temperature. As the temperature rises, the vesicle size grows but the membrane thickness declines. The main transition (Tm) can be identified by the inflection point. The membrane structural characteristics are analyzed. The inner and outer leaflets are asymmetric. The length of the lipid tail and area density of the lipid head in both leaflets decrease with increasing temperature. However, the mean lipid volume grows at low temperature but declines at high temperature. The membrane mechanical properties are also investigated. The water permeability grows exponentially with increasing T but the membrane tension peaks at Tm. Both the bending and stretching moduli have their minima near Tm. Those results are consistent with the experimental observations, indicating that the main signatures associated with phase transition are clearly observed in small unilamellar vesicles.

  14. High temperature structural and magnetic properties of cobalt nanorods

    SciTech Connect

    Ait Atmane, Kahina; Zighem, Fatih; Soumare, Yaghoub; Ibrahim, Mona; Boubekri, Rym; Maurer, Thomas; Margueritat, Jeremie; Piquemal, Jean-Yves; Ott, Frederic; Chaboussant, Gregory; Schoenstein, Frederic; Jouini, Noureddine; Viau, Guillaume

    2013-01-15

    We present in this paper the structural and magnetic properties of high aspect ratio Co nanoparticles ({approx}10) at high temperatures (up to 623 K) using in-situ X ray diffraction (XRD) and SQUID characterizations. We show that the anisotropic shapes, the structural and texture properties are preserved up to 500 K. The coercivity can be modelled by {mu}{sub 0}H{sub C}=2(K{sub MC}+K{sub shape})/M{sub S} with K{sub MC} the magnetocrystalline anisotropy constant, K{sub shape} the shape anisotropy constant and M{sub S} the saturation magnetization. H{sub C} decreases linearly when the temperature is increased due to the loss of the Co magnetocrystalline anisotropy contribution. At 500 K, 50% of the room temperature coercivity is preserved corresponding to the shape anisotropy contribution only. We show that the coercivity drop is reversible in the range 300-500 K in good agreement with the absence of particle alteration. Above 525 K, the magnetic properties are irreversibly altered either by sintering or by oxidation. - Graphical abstract: We present in this paper the structural and magnetic properties of high aspect ratio Co nanorods ({approx}10) at high temperatures (up to 623 K) using in-situ X-ray diffraction and SQUID characterizations. We show that the anisotropic shapes, the structural and texture properties are preserved up to 500 K. Above 525 K, the magnetic properties are irreversibly altered either by sintering or by oxidation. Highlights: Black-Right-Pointing-Pointer Ferromagnetic Co nanorods are prepared using the polyol process. Black-Right-Pointing-Pointer The structural and texture properties of the Co nanorods are preserved up to 500 K. Black-Right-Pointing-Pointer The magnetic properties of the Co nanorods are irreversibly altered above 525 K.

  15. Size effects on the structural, electronic, and optical properties of (5,0) finite-length carbon nanotube: An ab-initio electronic structure study

    NASA Astrophysics Data System (ADS)

    Tarighi Ahmadpour, Mahdi; Hashemifar, S. Javad; Rostamnejadi, Ali

    2016-07-01

    We use density functional computations to study the zero temperature structural, electronic, magnetic, and optical properties of (5,0) finite carbon nanotubes (FCNT), with length in the range of 4-44 Å. It is found that the structural and electronic properties of (5,0) FCNTs, in the ground state, converge at a length of about 30 Å, while the excited state properties exhibit long-range edge effects. We discuss that curvature effects enhance energy gap of FCNTs, in contrast to the known trend in the periodic limit. It is seen that compensation of curvature effects in two special small sizes may give rise to spontaneous magnetization. The obtained cohesive energies provide some insights into the effects of environment on the growth of FCNTs. The second-order difference of the total energies reveals an important magic size of about 15 Å. The optical and dynamical magnetic responses of the FCNTs to polarized electromagnetic pulses are studied by time dependent density functional theory. The results show that the static and dynamic magnetic properties mainly come from the edge carbon atoms. The optical absorption properties are described in terms of local field effects and characterized by Casida linear response method.

  16. Microstructure and water vapor transport properties of temperature sensitive polyurethanes

    NASA Astrophysics Data System (ADS)

    Ding, Xuemei

    Temperature sensitive polyurethane (TS-PU) is one novel type of smart polymers. The water vapor permeability (WVP) of its membrane could undergo a significant increase as temperature increases within a predetermined temperature range. Such smart property enables this material to have a broad range of potential applications to textile industry, medicine, environmental fields and so on. However, based on the literature review, contradicting results were found on some TS-PUs. The aims of this project are to synthesize TS-PU with Tm in the broader temperature range including ambient temperature range, and then investigate systematically the relationships between microstructure and water vapor transport properties of TS-PU. For this purpose, in this project, a series of polyurethanes (PU) were synthesized using five different crystalline polyols with approximately similar molecule weight and three different hydrophilic contents, and dense membranes were prepared accordingly. The microstructure and properties of these PUs were investigated using DSC, WAXD, DMA, FTIR, GPC, POM, TEM, SEM and PALS. Their equilibrium water sorption and water vapor permeability were measured accordingly. Results show that crystal melting of these resulting PUs take place in the temperature range from -10--60°C as desired. Storage modulus (E') drops down quickly in the temperature range of crystal melting, suggesting a great transition in the predetermined temperature range. The decreased HSC as well as regular chemical structure of polyols results in the larger spherulites and higher melting end temperature, and the higher crystallinity induces the more obvious incompatibility of soft segment and hard segment in the PUs. These PUs are proved to have good enough tensile properties for textile application. The mean free volume size and fractional free volume increase more significantly in the temperature range of crystal melting than in other temperature intervals. Finally, as expected, the

  17. Temperature distributions in laser-heated semi-infinite and finite-thickness media with convective surface losses.

    PubMed

    Loze, M K; Wright, C D

    1998-10-01

    The temperature distributions produced within semi-infinite and finite-thickness media heated by a moving laser beam with a Gaussian power-density profile are examined by use of a time-domain method. Convective losses, described by Newton's law of cooling, from the medium surfaces are included. Various medium absorption models are considered. The solutions are given as single integrals with respect to time of simple functions. The resulting expressions have been used to examine the role of surface losses in information storage and medical applications. The role of convective losses in optical recording systems is found to be insignificant. However, for medical applications, combined convective and evaporative surface losses represent an important surface-heat-loss mechanism.

  18. Wang-Landau method for calculating Rényi entropies in finite-temperature quantum Monte Carlo simulations.

    PubMed

    Inglis, Stephen; Melko, Roger G

    2013-01-01

    We implement a Wang-Landau sampling technique in quantum Monte Carlo (QMC) simulations for the purpose of calculating the Rényi entanglement entropies and associated mutual information. The algorithm converges an estimate for an analog to the density of states for stochastic series expansion QMC, allowing a direct calculation of Rényi entropies without explicit thermodynamic integration. We benchmark results for the mutual information on two-dimensional (2D) isotropic and anisotropic Heisenberg models, a 2D transverse field Ising model, and a three-dimensional Heisenberg model, confirming a critical scaling of the mutual information in cases with a finite-temperature transition. We discuss the benefits and limitations of broad sampling techniques compared to standard importance sampling methods.

  19. A bridge-functional-based classical mapping method for predicting the correlation functions of uniform electron gases at finite temperature

    SciTech Connect

    Liu, Yu; Wu, Jianzhong

    2014-02-28

    Efficient and accurate prediction of the correlation functions of uniform electron gases is of great importance for both practical and theoretical applications. This paper presents a bridge-functional-based classical mapping method for calculating the correlation functions of uniform spin-unpolarized electron gases at finite temperature. The bridge functional is formulated by following Rosenfeld's universality ansatz in combination with the modified fundamental measure theory. The theoretical predictions are in good agreement with recent quantum Monte Carlo results but with negligible computational cost, and the accuracy is better than a previous attempt based on the hypernetted-chain approximation. We find that the classical mapping method is most accurate if the effective mass of electrons increases as the density falls.

  20. Vibrational mode assignment of finite temperature infrared spectra using the AMOEBA polarizable force field.

    PubMed

    Thaunay, Florian; Dognon, Jean-Pierre; Ohanessian, Gilles; Clavaguéra, Carine

    2015-10-21

    The calculation of infrared spectra by molecular dynamics simulations based on the AMOEBA polarizable force field has recently been demonstrated [Semrouni et al., J. Chem. Theory Comput., 2014, 10, 3190]. While this approach allows access to temperature and anharmonicity effects, band assignment requires additional tools, which we describe in this paper. The Driven Molecular Dynamics approach, originally developed by Bowman, Kaledin et al. [Bowman et al. J. Chem. Phys., 2003, 119, 646, Kaledin et al. J. Chem. Phys., 2004, 121, 5646] has been adapted and associated with AMOEBA. Its advantages and limitations are described. The IR spectrum of the Ac-Phe-Ala-NH2 model peptide is analyzed in detail. In addition to differentiation of conformations by reproducing frequency shifts due to non-covalent interactions, DMD allows visualizing the temperature-dependent vibrational modes.

  1. Measurement of isospin mixing at a finite temperature in 80Zr via giant dipole resonance decay

    NASA Astrophysics Data System (ADS)

    Corsi, A.; Wieland, O.; Barlini, S.; Bracco, A.; Camera, F.; Kravchuk, V. L.; Baiocco, G.; Bardelli, L.; Benzoni, G.; Bini, M.; Blasi, N.; Brambilla, S.; Bruno, M.; Casini, G.; Ciemala, M.; Cinausero, M.; Crespi, F. C. L.; D'Agostino, M.; Degerlier, M.; Giaz, A.; Gramegna, F.; Kmiecik, M.; Leoni, S.; Maj, A.; Marchi, T.; Mazurek, K.; Meczynski, W.; Million, B.; Montanari, D.; Morelli, L.; Myalski, S.; Nannini, A.; Nicolini, R.; Pasquali, G.; Poggi, G.; Vandone, V.; Vannini, G.

    2011-10-01

    Isospin mixing in the hot compound nucleus 80Zr was studied by measuring and comparing the γ-ray emission from the fusion reactions 40Ca+40Ca at Ebeam=200 MeV and 37Cl+44Ca at Ebeam=153 MeV. The γ yield associated with the giant dipole resonance is found to be different in the two reactions because, in self-conjugate nuclei, the E1 selection rules forbid the decay between states with isospin I=0. The degree of mixing is deduced from statistical-model analysis of the γ-ray spectrum emitted by the compound nucleus 80Zr with the standard parameters deduced from the γ decay of the nucleus 81Rb. The results are used to deduce the zero-temperature value, which is then compared with the latest predictions. The Coulomb spreading width is found to be independent of temperature.

  2. Finite-temperature interatomic exchange and magnon softening in Fe overlayers on Ir(001)

    NASA Astrophysics Data System (ADS)

    Rodrigues, D. C. M.; Szilva, A.; Klautau, A. B.; Bergman, A.; Eriksson, O.; Etz, C.

    2016-07-01

    We evaluate how thermal effects soften the magnon dispersion in 6 layers of Fe(001) on top of Ir(001). We perform a systematic study considering noncollinear spin arrangement and calculate configuration-dependent exchange parameters Jij n c following the methodology described by Szilva et al. [Phys. Rev. Lett. 111, 127204 (2013)], 10.1103/PhysRevLett.111.127204. In addition, Monte Carlo simulations were performed in order to estimate the noncollinear spin arrangement as a function of temperature. Hence the Jij n c's related to these configurations were calculated and used in an atomistic spin dynamics approach to evaluate the magnon spectra. Our results show good agreement with recent room-temperature measurements, and highlights how thermal effects produce magnon softening in this, and similar, systems.

  3. Quark-meson vertices and pion properties at finite chemical potential

    NASA Astrophysics Data System (ADS)

    Jiang, Yu; Shi, Yuan-Mei; Feng, Hong-Tao; Sun, Wei-Min; Zong, Hong-Shi

    2008-08-01

    Based on the rainbow-ladder approximation of the Dyson-Schwinger equations and the assumption of the analyticity of the quark-meson vertex in the neighborhood of zero chemical potential (μ=0) and neglecting the μ-dependence of the dressed gluon propagator, we use the method of studying the dressed quark propagator at finite chemical potential given in [H. S. Zong, L. Chang, F.Y. Hou, W. M. Sun, and Y. X. Liu, Phys. Rev. C 71, 015205 (2005)] to show that the axial-vector quark-meson vertex at finite μ can be obtained from the corresponding one at μ=0 by a shift of variable: Γ5νj[μ](k,p)=Γ5νj(k~,p), where k and p are the relative and total momentum of the quark-antiquark pair, respectively, and k~=(k→,k4+iμ). Similar relations hold for any other type of quark-meson vertex. This feature would facilitate the numerical calculations of the quark-meson vertex function at finite μ considerably. Based on these results and using the dressed quark propagator at μ=0 proposed in [R. Alkofer, W. Detmold, C. S. Fischer, and P. Maris, Phys. Rev. D 70, 014014 (2004)], we calculate the pion decay constant fπ and the pion mass mπ at finite μ and a comparison of our results with those in the literature is made.

  4. Simulation of temperature and thermally induced stress of human tooth under CO2 pulsed laser beams using finite element method.

    PubMed

    Sabaeian, Mohammad; Shahzadeh, Mohammadreza

    2015-02-01

    The authors report the simulation of temperature distribution and thermally induced stresses of human tooth under CO2 pulsed laser beam. A detailed tooth structure comprising enamel, dentin, and pulp with realistic shapes and thicknesses were considered, and a numerical method of finite element was adopted to solve time-dependent bio-heat and stress equations. The realistic boundary conditions of constant temperature for those parts embedded in the gingiva and heat flux condition for those parts out of the gingiva were applied. The results which were achieved as a function of energy density (J/cm(2)) showed when laser beam is irradiated downward (from the top of the tooth), the temperature and thermal stresses decrease quickly as a function of depth that is a result of strong absorption of CO2 beams by enamel. This effect is so influential that one can use CO2 beams to remove micrometer layers while underlying tissues, especially the pulp, are safe from thermal effects.

  5. Finite Element Simulation of Temperature and Strain Distribution during Friction Stir Welding of AA2024 Aluminum Alloy

    NASA Astrophysics Data System (ADS)

    Jain, Rahul; Pal, Surjya Kanta; Singh, Shiv Brat

    2016-06-01

    Friction Stir Welding (FSW) is a solid state joining process and is handy for welding aluminum alloys. Finite Element Method (FEM) is an important tool to predict state variables of the process but numerical simulation of FSW is highly complex due to non-linear contact interactions between tool and work piece and interdependency of displacement and temperature. In the present work, a three dimensional coupled thermo-mechanical method based on Lagrangian implicit method is proposed to study the thermal history, strain distribution and thermo-mechanical process in butt welding of Aluminum alloy 2024 using DEFORM-3D software. Workpiece is defined as rigid-visco plastic material and sticking condition between tool and work piece is defined. Adaptive re-meshing is used to tackle high mesh distortion. Effect of tool rotational and welding speed on plastic strain is studied and insight is given on asymmetric nature of FSW process. Temperature distribution on the workpiece and tool is predicted and maximum temperature is found in workpiece top surface.

  6. AlN bandgap temperature dependence from its optical properties

    NASA Astrophysics Data System (ADS)

    Silveira, E.; Freitas, J. A.; Schujman, S. B.; Schowalter, L. J.

    2008-08-01

    In the present work we report on the AlN gap energy temperature dependence studied through the optical properties of high-quality large bulk AlN single crystals grown by a sublimation-recondensation technique. The cathodoluminescence, transmission/absorption as well as optical reflectance measurements at low temperature show a clear feature at about 6.03 eV, which could be attributed to the free exciton A. Even using a rather thick sample it was possible to observe the absorption due to the free exciton A in this energy range due to its large binding energy. We followed the temperature evolution of these features up to room temperature and inferred the gap energy temperature dependence using the exciton binding energy obtained by our group in the past.

  7. Vector-axial-vector mixing from a chiral effective field theory at finite temperature

    SciTech Connect

    Harada, Masayasu; Sasaki, Chihiro; Weise, Wolfram

    2008-12-01

    We study the vector-axial-vector mixing in a hot medium and its evolution toward the chiral phase transition using different symmetry restoration scenarios based on the generalized hidden local symmetry framework. We show that the presence of the a{sub 1} meson reduces the vector spectral function around the {rho} meson mass and enhances it around the a{sub 1} meson mass. The coupling strength of a{sub 1} to {rho} and {pi} vanishes at the critical temperature due to the degenerate {rho}-a{sub 1} masses. This feature holds rigorously in the chiral limit and still stays intact to good approximation for the physical pion mass.

  8. Thermodynamics and Bulk Viscosity of Approximate Black Hole Duals to Finite Temperature Quantum Chromodynamics

    SciTech Connect

    Gubser, Steven S.; Nellore, Abhinav; Pufu, Silviu S.; Rocha, Fabio D.

    2008-09-26

    We consider classes of translationally invariant black hole solutions whose equations of state closely resemble that of QCD at zero chemical potential. We use these backgrounds to compute the ratio {zeta}/s of bulk viscosity to entropy density. For a class of black holes that exhibits a first-order transition, we observe a sharp rise in {zeta}/s near T{sub c}. For constructions that exhibit a smooth crossover, like QCD does, the rise in {zeta}/s is more modest. We conjecture that divergences in {zeta}/s for black hole horizons are related to extrema of the entropy density as a function of temperature.

  9. General polarizability and hyperpolarizability estimators for the path-integral Monte Carlo method applied to small atoms, ions, and molecules at finite temperatures

    NASA Astrophysics Data System (ADS)

    Tiihonen, Juha; Kylänpää, Ilkka; Rantala, Tapio T.

    2016-09-01

    The nonlinear optical properties of matter have a broad relevance and many methods have been invented to compute them from first principles. However, the effects of electronic correlation, finite temperature, and breakdown of the Born-Oppenheimer approximation have turned out to be challenging and tedious to model. Here we propose a straightforward approach and derive general field-free polarizability and hyperpolarizability estimators for the path-integral Monte Carlo method. The estimators are applied to small atoms, ions, and molecules with one or two electrons. With the adiabatic, i.e., Born-Oppenheimer, approximation we obtain accurate tensorial ground state polarizabilities, while the nonadiabatic simulation adds in considerable rovibrational effects and thermal coupling. In both cases, the 0 K, or ground-state, limit is in excellent agreement with the literature. Furthermore, we report here the internal dipole moment of PsH molecule, the temperature dependence of the polarizabilities of H-, and the average dipole polarizabilities and the ground-state hyperpolarizabilities of HeH+ and H 3 + .

  10. Calculating linear-response functions for finite temperatures on the basis of the alloy analogy model

    NASA Astrophysics Data System (ADS)

    Ebert, H.; Mankovsky, S.; Chadova, K.; Polesya, S.; Minár, J.; Ködderitzsch, D.

    2015-04-01

    A scheme is presented that is based on the alloy analogy model and allows one to account for thermal lattice vibrations as well as spin fluctuations when calculating response quantities in solids. Various models to deal with spin fluctuations are discussed concerning their impact on the resulting temperature-dependent magnetic moment, longitudinal conductivity, and Gilbert damping parameter. It is demonstrated that, by using the Monte Carlo (MC) spin configuration as input, the alloy analogy model is capable of reproducing the results of MC simulations on the average magnetic moment within all spin fluctuation models under discussion. On the other hand, the response quantities are much more sensitive to the spin fluctuation model. Separate calculations accounting for the thermal effect due to either lattice vibrations or spin fluctuations show that they give comparable contributions to the electrical conductivity and Gilbert damping. However, comparison to results accounting for both thermal effects demonstrates violation of Matthiessen's rule, showing the nonadditive effect of lattice vibrations and spin fluctuations. The results obtained for bcc Fe and fcc Ni are compared with the experimental data, showing rather good agreement for the temperature-dependent electrical conductivity and the Gilbert damping parameter.

  11. Study of the electrical conductivity at finite temperature in 2D Si- MOSFETs

    SciTech Connect

    Limouny, L. Kaaouachi, A. El Tata, O.; Daoudi, E.; Errai, M.; Dlimi, S.; Idrissi, H. El; Zatni, A.

    2014-01-27

    We investigate the low temperature density dependent conductivity of two dimensional electron systems in zero magnetic field for sample Si-15 MOSFETs. The first purpose of this paper is to establish that the knee of the conductivity σ{sub 0} (σ{sub 0} is the T = 0.3 conductivity obtained by linear extrapolation of the curves of σ (T) for different values of electron density, n{sub s}) as a function of the carrier densities n{sub s} for T = 0.3 K, observed by Lai et al. and Limouny et al. in previous work for two different samples, is independent of temperature. The second aim is the determination of the critical density, n{sub c}, of the metal-insulator transition. Many methods are used in this investigation of n{sub c} which have been already used for other samples. The motivation behind this last study is the observation of many values of n{sub c} that have been obtained from different methods and that are slightly different. We will use in this study three methods with the intention to infer which one is more appropriate to obtain n{sub c}.

  12. Low-temperature elastic and electronic properties of MAX phases

    NASA Astrophysics Data System (ADS)

    Finkel, Peter

    The Mn+1AXn phases (where M is an early transition metal, A is an A-group element and, X is C and/or N and n = 1 to 3) represent a new class of carbides and nitrides and can be best described as polycrystalline nanolaminates. They combine some of the best properties of ceramics and metals. Their physical properties (stiffness, damage and thermal shock resistance, high thermal and electrical conductivity) along with the fact they are readily machinable, make them extremely attractive in terms of the potential technological applications. Knowledge of low-temperature behavior is vital because it can provide insight into Mn+1AXn-phases' physical properties. This work entails the systematic study of the elastic, electrical, galvanomagnetic and thermal properties of these materials in the 4--300 K temperature range. The elastic constants of these compounds (Ti3SiC2, Ti3AlC2 and Ti4AlN3) were measured over the 20--300 K temperature range. Their Young's and shear modulii determined from ultrasonic velocities were in 300--335 and 124--140 GPa range, respectively; both moduli increase slowly with decreasing temperature and reaching a maximum at temperatures below 125 K; Poisson's ratio is 0.2. The Debye temperatures, thetaD, of these compounds calculated from the mean ultrasonic velocity are in 650--780K range which is in agreement with data obtained from low-temperature heat capacity measurements. To characterize the electronic transport properties, the resistivity, magnetoresistance, Hall effect, Seebeck coefficient and magnetic susceptibility were measured in the 4--300K range, and in magnetic fields up to 9T. All MAX-phases exhibit metal-like temperature dependence of the resistivity rho(T). theta D for most of the MAX-phases determined by fitting rho(T) with the Bloch T5 formula were in good agreement with the values determined from elastic and calorimetric measurements. The carrier density of electrons n (or holes, p) and their mobilities were calculated utilizing a

  13. Hydrologic property alterations due to elevated temperatures at Yucca Mountain

    SciTech Connect

    Flint, A.L.; Nash, M.H.; Nash, M.S.

    1994-12-31

    Yucca Mountain is currently being evaluated as a potential site for a high level nuclear waste repository. The pre-emplacement hydrologic properties of the rock are important in determining the suitability of the site; however, post emplacement thermal loads and associated drying may permanently alter the character of the rock. A preliminary study was undertaken to determine the effects of elevated temperatures on hydrologic properties of the welded Topopah Spring member of the Paintbrush Tuff and a zeolitic, nonwelded tuff from the Tuffaceous Beds of Calico Hills. Rock outcrop samples were collected and dried in the laboratory at different temperatures (up to 400 degrees C). Hydrologic and physical properties -were tested before and after each of the drying cycles.

  14. Elevated temperature properties of boron/aluminum composites

    NASA Technical Reports Server (NTRS)

    Sullivan, P. G.

    1978-01-01

    The high temperature properties of boron/aluminum composites, fabricated by an air diffusion bonding technique utilizing vacuum-bonded monolayer tape are reported. Seventeen different combinations of matrix alloy, reinforcement diameter, reinforcement volume percent, angle-ply and matrix enhancement (i.e. titanium cladding and interleaves) were fabricated, inspected, and tested. It is shown that good to excellent mechanical properties could be obtained for air-bonded boron/aluminum composites and that these properties did not decrease significantly up to a test temperature of at least 260 C. Composites made with 8 mil B/W fiber show a much greater longitudinal strength dependence on volume percent fiber than composites made with 5.6 mil fiber. The addition of titanium caused difficulties in composite bonding and yielded composites with reduced strength.

  15. Determining the optomechanical properties of accommodating gel for lens refilling surgery using finite element analysis and numerical ray-tracing

    NASA Astrophysics Data System (ADS)

    Mohammad-Pour, Hooman; Kanapathipillai, Sangarapillai; Manns, Fabrice; Ho, Arthur

    2015-03-01

    A key step in the design of an accommodating gel to replace the natural contents of the presbyopic human crystalline lens is to find the equivalent homogeneous mechanical and material properties of the gel that yield comparable optical response as the lens with gradient properties. This process is compounded by the interplay between the mechanical and optical gradient. In order to find uniform properties of the lens both gradients need to be considered. In this paper, numerical ray-tracing and finite element method (FEM) are implemented to investigate the effects of varying the uniform elasticity and refractive index on the accommodative amplitude. Our results show that the accommodative amplitude be expressed as a function of gel refractive index and Young's modulus of elasticity. In other words infinite sets of elasticity and refractive index exist that yield a certain amount of accommodation.

  16. Thermodynamics of hydrogen-helium mixtures at high pressure and finite temperature

    NASA Technical Reports Server (NTRS)

    Hubbard, W. B.

    1972-01-01

    A technique is reviewed for calculating thermodynamic quantities for mixtures of light elements at high pressure, in the metallic state. Ensemble averages are calculated with Monte Carlo techniques and periodic boundary conditions. Interparticle potentials are assumed to be coulombic, screened by the electrons in dielectric function theory. This method is quantitatively accurate for alloys at pressures above about 10 Mbar. An alloy of equal parts hydrogen and helium by mass appears to remain liquid and mixed for temperatures above about 3000 K, at pressures of about 15 Mbar. The additive volume law is satisfied to within about 10%, but the Gruneisen equation of state gives poor results. A calculation at 1300 K shows evidence of a hydrogen-helium phase separation.

  17. CP asymmetry in heavy Majorana neutrino decays at finite temperature: the hierarchical case

    NASA Astrophysics Data System (ADS)

    Biondini, S.; Brambilla, N.; Vairo, A.

    2016-09-01

    We consider the simplest realization of leptogenesis with one heavy Majorana neutrino species much lighter than the other ones. In this scenario, when the temperature of the early universe is smaller than the lightest Majorana neutrino mass, we compute at first order in the Standard Model couplings and, for each coupling, at leading order in the termperature the CP asymmetry in the decays of the lightest neutrino into leptons and anti-leptons. We perform the calculation using a hierarchy of two effective field theories organized as expansions in the inverse of the heavy-neutrino masses. In the ultimate effective field theory, leading thermal corrections proportional to the Higgs self coupling and the gauge couplings are encoded in one single operator of dimension five, whereas corrections proportional to the top Yukawa coupling are encoded in four operators of dimension seven, which we compute.

  18. Study of the gluon propagator in the large-N {sub f} limit at finite temperature and chemical potential for weak and strong couplings

    SciTech Connect

    Blaizot, Jean-Paul . E-mail: blaizot@ect.it; Ipp, Andreas . E-mail: ipp@ect.it; Rebhan, Anton . E-mail: rebhana@hep.itp.tuwien.ac.at

    2006-09-15

    At finite temperature and chemical potential, the leading-order (hard-thermal-loop) contributions to the gauge-boson propagator lead to momentum-dependent thermal masses for propagating quasiparticles as well as dynamical screening and Landau damping effects. We compare the hard-thermal-loop propagator with the complete large-N {sub f} gluon propagator, for which the usually subleading contributions, such as a finite width of quasiparticles, can be studied at nonperturbatively large effective coupling. We also study quantitatively the effect of Friedel oscillations in low-temperature electrostatic screening.

  19. Elevated temperature mechanical properties of line pipe steels

    NASA Astrophysics Data System (ADS)

    Jacobs, Taylor Roth

    The effects of test temperature on the tensile properties of four line pipe steels were evaluated. The four materials include a ferrite-pearlite line pipe steel with a yield strength specification of 359 MPa (52 ksi) and three 485 MPa (70 ksi) yield strength acicular ferrite line pipe steels. Deformation behavior, ductility, strength, strain hardening rate, strain rate sensitivity, and fracture behavior were characterized at room temperature and in the temperature range of 200--350 °C, the potential operating range for steels used in oil production by the steam assisted gravity drainage process. Elevated temperature tensile testing was conducted on commercially produced as-received plates at engineering strain rates of 1.67 x 10 -4, 8.33 x 10-4, and 1.67 x 10-3 s-1. The acicular ferrite (X70) line pipe steels were also tested at elevated temperatures after aging at 200, 275, and 350 °C for 100 h under a tensile load of 419 MPa. The presence of serrated yielding depended on temperature and strain rate, and the upper bound of the temperature range where serrated yielding was observed was independent of microstructure between the ferrite-pearlite (X52) steel and the X70 steels. Serrated yielding was observed at intermediate temperatures and continuous plastic deformation was observed at room temperature and high temperatures. All steels exhibited a minimum in ductility as a function of temperature at testing conditions where serrated yielding was observed. At the higher temperatures (>275 °C) the X52 steel exhibited an increase in ductility with an increase in temperature and the X70 steels exhibited a maximum in ductility as a function of temperature. All steels exhibited a maximum in flow strength and average strain hardening rate as a function of temperature. The X52 steel exhibited maxima in flow strength and average strain hardening rate at lower temperatures than observed for the X70 steels. For all steels, the temperature where the maximum in both flow

  20. An automatic approach for calibrating dielectric bone properties by combining finite-element and optimization software tools.

    PubMed

    Su, Yukun; Kluess, Daniel; Mittelmeier, Wolfram; van Rienen, Ursula; Bader, Rainer

    2016-09-01

    The dielectric properties of human bone are one of the most essential inputs required by electromagnetic stimulation for improved bone regeneration. Measuring the electric properties of bone is a difficult task because of the complexity of the bone structure. Therefore, an automatic approach is presented to calibrate the electric properties of bone. The numerical method consists of three steps: generating input from experimental data, performing the numerical simulation, and calibrating the bone dielectric properties. As an example, the dielectric properties at 20 Hz of a rabbit distal femur were calibrated. The calibration process was considered as an optimization process with the aim of finding the optimum dielectric bone properties that match most of the numerically calculated simulation and experimentally measured data sets. The optimization was carried out automatically by the optimization software tool iSIGHT in combination with the finite-element solver COMSOL Multiphysics. As a result, the optimum conductivity and relative permittivity of the rabbit distal femur at 20 Hz were found to be 0.09615 S/m and 19522 for cortical bone and 0.14913 S/m and 1561507 for cancellous bone, respectively. The proposed method is a potential tool for the identification of realistic dielectric properties of the entire bone volume. The presented approach combining iSIGHT with COMSOL is applicable to, amongst others, designing implantable electro-stimulative devices or the optimization of electrical stimulation parameters for improved bone regeneration. PMID:26777343

  1. An automatic approach for calibrating dielectric bone properties by combining finite-element and optimization software tools.

    PubMed

    Su, Yukun; Kluess, Daniel; Mittelmeier, Wolfram; van Rienen, Ursula; Bader, Rainer

    2016-09-01

    The dielectric properties of human bone are one of the most essential inputs required by electromagnetic stimulation for improved bone regeneration. Measuring the electric properties of bone is a difficult task because of the complexity of the bone structure. Therefore, an automatic approach is presented to calibrate the electric properties of bone. The numerical method consists of three steps: generating input from experimental data, performing the numerical simulation, and calibrating the bone dielectric properties. As an example, the dielectric properties at 20 Hz of a rabbit distal femur were calibrated. The calibration process was considered as an optimization process with the aim of finding the optimum dielectric bone properties that match most of the numerically calculated simulation and experimentally measured data sets. The optimization was carried out automatically by the optimization software tool iSIGHT in combination with the finite-element solver COMSOL Multiphysics. As a result, the optimum conductivity and relative permittivity of the rabbit distal femur at 20 Hz were found to be 0.09615 S/m and 19522 for cortical bone and 0.14913 S/m and 1561507 for cancellous bone, respectively. The proposed method is a potential tool for the identification of realistic dielectric properties of the entire bone volume. The presented approach combining iSIGHT with COMSOL is applicable to, amongst others, designing implantable electro-stimulative devices or the optimization of electrical stimulation parameters for improved bone regeneration.

  2. Prediction of hydraulic and electrical transport properties of sandstone with multiscale lattice Boltzmann/finite element simulation on microtomographic images

    NASA Astrophysics Data System (ADS)

    Wong, T.; Sun, W.

    2012-12-01

    Microcomputed tomography can be used to characterize the geometry of the pore space of a sedimentary rock, with resolution that is sufficiently refined for the realistic simulation of physical properties based on the 3D image. Significant advances have been made on the characterization of pore size distribution and connectivity, development of techniques such as lattice Boltzmann method to simulate permeability, and its upscaling. Sun, Andrade and Rudnicki (2011) recently introduced a multiscale method that dynamically links these three aspects, which were often treated separately in previous computational schemes. In this study, we improve the efficiency of this multiscale method by introducing a flood-fill algorithm to determine connectivity of the pores, followed by a multiscale lattice Boltzmann/finite element calculation to obtain homogenized effective anisotropic permeability. The improved multiscale method also includes new capacity to consistently determine electrical conductivity and formation factor from CT images. Furthermore, we also introduce a level set based method that transforms pore geometry to finite element mesh and thus enables direct simulation of pore-scale flow with finite element method. When applied to the microCT data acquired by Lindquist et al. (2000) for four Fontainebleau sandstone samples with porosities ranging from 7.5% to 22%, this multiscale method has proved to be computationally efficient and our simulations has provided new insights into the relation among permeability, pore geometry and connectivity.

  3. Finite temperature application of the corrected propagator method to reactive dynamics in a condensed-phase environment.

    PubMed

    Gelman, David; Schwartz, Steven D

    2011-01-21

    The recently proposed mixed quantum-classical method is extended to applications at finite temperatures. The method is designed to treat complex systems consisting of a low-dimensional quantum part (the primary system) coupled to a dissipative bath described classically. The method is based on a formalism showing how to systematically correct the approximate zeroth-order evolution rule. The corrections are defined in terms of the total quantum Hamiltonian and are taken to the classical limit by introducing the frozen Gaussian approximation for the bath degrees of freedom. The evolution of the primary system is governed by the corrected propagator yielding the exact quantum dynamics. The method has been tested on a standard model system describing proton transfer in a condensed-phase environment: a symmetric double-well potential bilinearly coupled to a bath of harmonic oscillators. Flux correlation functions and thermal rate constants have been calculated at two different temperatures for a range of coupling strengths. The results have been compared to the fully quantum simulations of Topaler and Makri [J. Chem. Phys. 101, 7500 (1994)] with the real path integral method. PMID:21261332

  4. Finite temperature application of the corrected propagator method to reactive dynamics in a condensed-phase environment

    PubMed Central

    Gelman, David; Schwartz, Steven D.

    2011-01-01

    The recently proposed mixed quantum-classical method is extended to applications at finite temperatures. The method is designed to treat complex systems consisting of a low-dimensional quantum part (the primary system) coupled to a dissipative bath described classically. The method is based on a formalism showing how to systematically correct the approximate zeroth-order evolution rule. The corrections are defined in terms of the total quantum Hamiltonian and are taken to the classical limit by introducing the frozen Gaussian approximation for the bath degrees of freedom. The evolution of the primary system is governed by the corrected propagator yielding the exact quantum dynamics. The method has been tested on a standard model system describing proton transfer in a condensed-phase environment: a symmetric double-well potential bilinearly coupled to a bath of harmonic oscillators. Flux correlation functions and thermal rate constants have been calculated at two different temperatures for a range of coupling strengths. The results have been compared to the fully quantum simulations of Topaler and Makri [J. Chem. Phys. 101, 7500 (1994)] with the real path integral method. PMID:21261332

  5. Finite-temperature phase diagram of the three-dimensional hard-core bosonic t-J model

    SciTech Connect

    Nakano, Yuki; Matsui, Tetsuo; Ishima, Takumi; Kobayashi, Naohiro; Ichinose, Ikuo; Sakakibara, Kazuhiko

    2011-06-15

    We study the three-dimensional bosonic t-J model, that is, the t-J model of 'bosonic electrons' at finite temperatures. This model describes a system of an isotropic antiferromagnet with doped bosonic holes and is closely related to systems of two-component bosons in an optical lattice. The bosonic 'electron' operator B{sub x{sigma}} at the site x with a two-component spin {sigma}(=1,2) is treated as a hard-core boson operator and represented by a composite of two slave particles: a spinon described by a Schwinger boson (CP{sup 1} boson) z{sub x}{sigma} and a holon described by a hard-core-boson field {phi}{sub x} as B{sub x}{sigma}={phi}{sub x}{sup {dagger}}z{sub x}{sigma}. By means of Monte Carlo simulations of this bosonic t-J model, we study its phase structure and the possible phenomena like appearance of antiferromagnetic long-range order, Bose-Einstein condensation, phase separation, etc. Obtained results show that the bosonic t-J model has a phase diagram that suggests some interesting implications for high-temperature superconducting materials.

  6. The influence of igneous intrusions on the peak temperatures of host rocks: Finite-time emplacement, evaporation, dehydration, and decarbonation

    NASA Astrophysics Data System (ADS)

    Wang, Dayong; Song, Yongchen; Liu, Yu; Zhao, Minglong; Qi, Tian; Liu, Weiguo

    2012-01-01

    Using a 13-m-thick basic sill and its limestone host rocks of the Permian Irati Formation from the Parana Basin, South America, as an example, this paper presents a numerical investigation based on heat conduction models on the effect of the emplacement mechanism of igneous intrusions, pore-water evaporation, and dehydration and decarbonation of host rocks on the peak temperature ( Tpeak) of host rocks. Our results demonstrate that: (1) the finite-time intrusion mechanism of magma can lower the predicted Tpeak of host rocks by up to 100 °C relative to the instantaneous intrusion mechanism, and although pore-water evaporation together with dehydration and decarbonation reactions can also depress the thermal effect of the sill on its host rocks, the maximum effect of these mechanisms on Tpeak only reaches approximately 50 °C. (2) The effect of pore-water evaporation on Tpeak is obviously greater than that of the dehydration and decarbonation reactions: the former can cause a maximum deviation of 40 °C in the predicted Tpeak, whereas the deviation due to the latter is less than 20 °C. Further, the effect of the dehydration and decarbonation reactions on Tpeak is less than 10 °C if pore-water evaporation is allowed simultaneously in the models and can hence be ignored in thermal modeling. (3) The finite-time intrusion mechanism of magma probably represents the natural condition of the sill. Pore-water evaporation and dehydration and decarbonation of host rocks are also likely to play important roles in lowering the thermal effect of the sill.

  7. Does finite-temperature decoding deliver better optima for noisy Hamiltonians?

    NASA Astrophysics Data System (ADS)

    Ochoa, Andrew J.; Nishimura, Kohji; Nishimori, Hidetoshi; Katzgraber, Helmut G.

    The minimization of an Ising spin-glass Hamiltonian is an NP-hard problem. Because many problems across disciplines can be mapped onto this class of Hamiltonian, novel efficient computing techniques are highly sought after. The recent development of quantum annealing machines promises to minimize these difficult problems more efficiently. However, the inherent noise found in these analog devices makes the minimization procedure difficult. While the machine might be working correctly, it might be minimizing a different Hamiltonian due to the inherent noise. This means that, in general, the ground-state configuration that correctly minimizes a noisy Hamiltonian might not minimize the noise-less Hamiltonian. Inspired by rigorous results that the energy of the noise-less ground-state configuration is equal to the expectation value of the energy of the noisy Hamiltonian at the (nonzero) Nishimori temperature [J. Phys. Soc. Jpn., 62, 40132930 (1993)], we numerically study the decoding probability of the original noise-less ground state with noisy Hamiltonians in two space dimensions, as well as the D-Wave Inc. Chimera topology. Our results suggest that thermal fluctuations might be beneficial during the optimization process in analog quantum annealing machines.

  8. Nuclear Pasta at Finite Temperature with the Time-Dependent Hartree-Fock Approach

    NASA Astrophysics Data System (ADS)

    Schuetrumpf, B.; Klatt, M. A.; Iida, K.; Maruhn, J. A.; Mecke, K.; Reinhard, P.-G.

    2016-01-01

    We present simulations of neutron-rich matter at sub-nuclear densities, like supernova matter. With the time-dependent Hartree-Fock approximation we can study the evolution of the system at temperatures of several MeV employing a full Skyrme interaction in a periodic three-dimensional grid [1]. The initial state consists of α particles randomly distributed in space that have a Maxwell-Boltzmann distribution in momentum space. Adding a neutron background initialized with Fermi distributed plane waves the calculations reflect a reasonable approximation of astrophysical matter. The matter evolves into spherical, rod-like, connected rod-like and slab-like shapes. Further we observe gyroid-like structures, discussed e.g. in [2], which are formed spontaneously choosing a certain value of the simulation box length. The ρ-T-map of pasta shapes is basically consistent with the phase diagrams obtained from QMD calculations [3]. By an improved topological analysis based on Minkowski functionals [4], all observed pasta shapes can be uniquely identified by only two valuations, namely the Euler characteristic and the integral mean curvature. In addition we propose the variance in the cell-density distribution as a measure to distinguish pasta matter from uniform matter.

  9. The rate dependent response of a bistable chain at finite temperature

    NASA Astrophysics Data System (ADS)

    Benichou, Itamar; Zhang, Yaojun; Dudko, Olga K.; Givli, Sefi

    2016-10-01

    We study the rate dependent response of a bistable chain subjected to thermal fluctuations. The study is motivated by the fact that the behavior of this model system is prototypical to a wide range of nonlinear processes in materials physics, biology and chemistry. To account for the stochastic nature of the system response, we formulate a set of governing equations for the evolution of the probability density of meta-stable configurations. Based on this approach, we calculate the behavior for a wide range of parametric values, such as rate, temperature, overall stiffness, and number of elements in the chain. Our results suggest that fundamental characteristics of the response, such as average transition stress and hysteresis, can be captured by a simple law which folds the influence of all these factors into a single non-dimensional quantity. We also show that the applicability of analytical results previously obtained for single-well systems can be extended to systems having multiple wells by proper definition of rate and of the transition stress.

  10. Finite temperature effects and the validity of the Weinberg sum rules

    NASA Astrophysics Data System (ADS)

    Ayala, Alejandro; Dominguez, C. A.; Loewe, M.; Zhang, Y.

    2016-05-01

    Using resent independent results from QCD sum rules for the thermal evolution of hadronic parameters in the vector and the axial-vector channels, we discuss the saturation of the two Weinberg sum rules. It turn out that both sum rules are quite well satisfied in a wide range from T = 0 up to T/T c ≃ 0.7 — 0.8. At higher temperatures, coming closer to Tc , there is an asymmetry between both channels since in the vector case there is a leading order effect, proportional to T2 , due to a one loop pion contribution in the space-like region, which is absent in the axial-vector case. This leads then to a small deviation. More important, though, in this region the QCD sum rules for the hadronic parameters begin to have no solutions since the widths of the ρ and the a1-mesons diverge signaling the occurrence of deconfinement. Close to and at Tc there are no pions left in the medium and chiral symmetry is restored so that the Weinberg sum rules are trivially satisfied.

  11. Anomalous Dynamical Line Shapes in a Quantum Magnet at Finite Temperature

    SciTech Connect

    Tennant D. A.; James A.; Lake, B.; Essler, F.H.L.; Notbohm, S.; Mikeska, H.-J.; Fielden, J.; Kogerler,, P.; Canfield, P.C.; Telling, M.T.F.

    2012-01-04

    The effect of thermal fluctuations on the dynamics of a gapped quantum magnet is studied using inelastic neutron scattering on copper nitrate, a model material for the spin-1/2, one-dimensional (1D) bond alternating Heisenberg chain. A large, highly deuterated, single-crystal sample of copper nitrate is produced using a solution growth method and measurements are made using the high-resolution backscattering spectrometer OSIRIS at the ISIS Facility. Theoretical calculations and numerical analysis are combined to interpret the physical origin of the thermal effects observed in the magnetic spectra. The primary observations are (1) a thermally induced central peak due to intraband scattering, which is similar to Villain scattering familiar from soliton systems in 1D, and (2) the one-magnon quasiparticle pole is seen to develop with temperature into an asymmetric continuum of scattering. We relate this asymmetric line broadening to a thermal strongly correlated state caused by hard-core constraints and quasiparticle interactions. These findings are a counter example to recent assertions of the universality of line broadening in 1D systems and are applicable to a broad range of quantum systems.

  12. The effect of temperature on rheological properties of endodontic sealers

    PubMed Central

    Rai, Roshni U.; Singbal, Kiran P.; Parekh, Vaishali

    2016-01-01

    Aim: The purpose of this study was to investigate temperature-dependent rheological properties of three endodontic sealers MTA Fillapex (Angelus, Brazil), AH Plus (Dentsply, Germany), and EndoREZ (Ultradent, USA). Materials and Methods: Five samples of each group of endodontic sealers (n = 30) were freshly mixed and placed on the plate of a rheometer (MCR 301, AntonPaar, Physica) and examined at 25°C and 37°C temperature, respectively. Rheological properties of the sealers were calculated according to the loss modulus (G″), storage modulus (G′), loss factor (Tan δ), and complex viscosity (η*) using dynamic oscillatory shear tests. Results: Statistical analysis (Wilcoxon signed-rank test) demonstrated that MTA Fillapex exhibited higher loss modulus (G″ > G′) and a crossover region. AH Plus and EndoREZ had a higher storage modulus (G′ > G″) at both temperatures. Loss factor (Tan δ) of MTA Fillapex was the highest compared to AH Plus, followed by EndoREZ. With a temperature change from 25°C to 37°C, MTA Fillapex exhibited a decrease while AH Plus exhibited an increase and, EndoREZ exhibited the least change, in complex viscosity (η*). Conclusions: EndoREZ exhibited better rheological properties compared to the other two test sealers. PMID:27099414

  13. Elevated temperature creep properties of the 54Fe-29Ni-17Co "Kovar" alloy.

    SciTech Connect

    Stephens, John Joseph, Jr.; Rejent, Jerome Andrew; Schmale, David T.

    2009-01-22

    The outline of this presentation is: (1) Applications of Kovar Alloy in metal/ceramic brazing; (2) Diffusion bonding of precision-photoetched Kovar parts; (3) Sample composition and annealing conditions; (4) Intermediate temperature creep properties (350-650 C); (5) Power law creep correlations--with and without modulus correction; (6) Compressive stress-strain properties (23-900 C); (7) Effect of creep deformation on grain growth; and (8) Application of the power law creep correlation to the diffusion bonding application. The summary and conclusions are: Elevated temperature creep properties of Kovar from 750-900 C obey a power law creep equation with a stress exponent equal to 4.9, modulus compensated activation energy of 47.96 kcal/mole. Grain growth in Kovar creep samples tested at 750 and 800 C is quite sluggish. Significant grain growth occurs at 850 C and above, this is consistent with isothermal grain growth studies performed on Kovar alloy wires. Finite element analysis of the diffusion bonding of Kovar predict that stresses of 30 MPa and higher are needed for good bonding at 850 C, we believe that 'sintering' effects must be accounted for to allow FEA to be predictive of actual processing conditions. Additional creep tests are planned at 250-650 C.

  14. Finite-Temperature Non-equilibrium Quasicontinuum Method based on Langevin Dynamics

    SciTech Connect

    Marian, J; Venturini, G; Hansen, B; Knap, J; Ortiz, M; Campbell, G

    2009-05-08

    The concurrent bridging of molecular dynamics and continuum thermodynamics presents a number of challenges, mostly associated with energy transmission and changes in the constitutive description of a material across domain boundaries. In this paper, we propose a framework for simulating coarse dynamic systems in the canonical ensemble using the Quasicontinuum method (QC). The equations of motion are expressed in reduced QC coordinates and are strictly derived from dissipative Lagrangian mechanics. The derivation naturally leads to a classical Langevin implementation where the timescale is governed by vibrations emanating from the finest length scale occurring in the computational cell. The equations of motion are integrated explicitly via Newmark's ({beta} = 0; {gamma} = 1/2) method, leading to a robust numerical behavior and energy conservation. In its current form, the method only allows for wave propagations supported by the less compliant of the two meshes across a heterogeneous boundary, which requires the use of overdamped dynamics to avoid spurious heating due to reflected vibrations. We have applied the method to two independent crystallographic systems characterized by different interatomic potentials (Al and Ta) and have measured thermal expansion in order to quantify the vibrational entropy loss due to homogenization. We rationalize the results in terms of system size, mesh coarseness, and nodal cluster diameter within the framework of the quasiharmonic approximation. For Al, we find that the entropy loss introduced by mesh coarsening varies linearly with the element size, and that volumetric effects are not critical in driving the anharmonic behavior of the simulated systems. In Ta, the anomalies of the interatomic potential employed result in negative and zero thermal expansion at low and high temperatures, respectively.

  15. Temperature-dependent dielectric properties of a thermoplastic gelatin

    NASA Astrophysics Data System (ADS)

    Landi, Giovanni; Neitzert, Heinz C.; Sorrentino, Andrea

    2016-05-01

    The frequency and the temperature dependence of the dielectric properties of a thermoplastic gelatin based bio-material have been investigated. At lower frequencies the dielectric response is strongly affected by charge carrier accumulation at the electrodes which modifies the dominating hopping conduction mechanism. The variation of the ac conductivity with frequency obeys a Jonscher type power law except for a small deviation in the low frequency range due to the electrode polarization effect. The master curve of the ac conductivity data shows that the conductivity relaxation of the gelatin is temperature independent.

  16. The importance of temperature dependent energy gap in the understanding of high temperature thermoelectric properties

    NASA Astrophysics Data System (ADS)

    Singh, Saurabh; Pandey, Sudhir K.

    2016-10-01

    In this work, we show the importance of temperature dependent energy band gap, E g (T), in understanding the high temperature thermoelectric (TE) properties of material by considering LaCoO3 (LCO) and ZnV2O4 (ZVO) compounds as a case study. For the fix value of band gap, E g , deviation in the values of α has been observed above 360 K and 400 K for LCO and ZVO compounds, respectively. These deviation can be overcomed by consideration of temperature dependent band gap. The change in used value of E g with respect to temperature is ∼4 times larger than that of In As. This large temperature dependence variation in E g can be attributed to decrement in the effective on-site Coulomb interaction due to lattice expansion. At 600 K, the value of ZT for n and p-doped, LCO is ∼0.35 which suggest that it can be used as a potential material for TE device. This work clearly suggest that one should consider the temperature dependent band gap in predicting the high temperature TE properties of insulating materials.

  17. Simple insertible high performance variable temperature regulator for measurement of physical properties at low temperature.

    PubMed

    Nagendran, R; Satya, A T; Chinnasamy, N; Baskaran, R; Janawadkar, M P

    2016-04-01

    An impedance capillary based Variable Temperature Regulator (VTR) for regulation of temperature in the range of 4.2 K-300 K, which can be detached and inserted into any experimental setup with a 50 mm diameter top access, has been designed, fabricated, and tested. The VTR may be used as a highly compact probe, which can be readily inserted in any liquid helium dewar or cryostat to realize uniform rates of cooling/heating and to achieve excellent temperature stability of ±1 mK at any temperature between 4.2 K and 300 K. VTR has been subjected to extensive experimental testing to arrive at optimum values of control parameters that are expected to influence its performance. The VTR may be integrated into any experimental setup for measurement of physical properties at low temperatures.

  18. Simulating Damage Due to a Lightning Strike Event: Effects of Temperature Dependent Properties on Interlaminar Damage

    NASA Technical Reports Server (NTRS)

    Ghezeljeh, Paria Naghipour; Pineda, Evan Jorge

    2014-01-01

    A multidirectional, carbon fiber-epoxy, composite panel is subjected to a simulated lightning strike, within a finite element method framework, and the effect of material properties on the failure (delamination) response is investigated through a detailed numerical study. The numerical model of the composite panel consists of individual homogenized plies with user-defined, cohesive interface elements between them. Lightning strikes are simulated as an assumed combination of excessive heat and high pressure loadings. It is observed that the initiation and propagation of lightning-induced delamination is a significant function of the temperature dependency of interfacial fracture toughness. This dependency must be defined properly in order to achieve reliable predictions of the present lightning-induced delamination in the composite panel.

  19. Numerical simulation of temperature field, microstructure evolution and mechanical properties of HSS during hot stamping

    SciTech Connect

    Shi, Dongyong; Liu, Wenquan; Ying, Liang Hu, Ping Shen, Guozhe

    2013-12-16

    The hot stamping of boron steels is widely used to produce ultra high strength automobile components without any spring back. The ultra high strength of final products is attributed to the fully martensitic microstructure that is obtained through the simultaneous forming and quenching of the hot blanks after austenization. In the present study, a mathematical model incorporating both heat transfer and the transformation of austenite is presented. A FORTRAN program based on finite element technique has been developed which permits the temperature distribution and microstructure evolution of high strength steel during hot stamping process. Two empirical diffusion-dependent transformation models under isothermal conditions were employed respectively, and the prediction capability on mechanical properties of the models were compared with the hot stamping experiment of an automobile B-pillar part.

  20. Second order finite volume scheme for Maxwell's equations with discontinuous electromagnetic properties on unstructured meshes

    SciTech Connect

    Ismagilov, Timur Z.

    2015-02-01

    This paper presents a second order finite volume scheme for numerical solution of Maxwell's equations with discontinuous dielectric permittivity and magnetic permeability on unstructured meshes. The scheme is based on Godunov scheme and employs approaches of Van Leer and Lax–Wendroff to increase the order of approximation. To keep the second order of approximation near dielectric permittivity and magnetic permeability discontinuities a novel technique for gradient calculation and limitation is applied near discontinuities. Results of test computations for problems with linear and curvilinear discontinuities confirm second order of approximation. The scheme was applied to modelling propagation of electromagnetic waves inside photonic crystal waveguides with a bend.

  1. Statistical properties of finite-bandwidth radiation scattered by random amplitude screens and random phase screens.

    PubMed

    Ridley, Kevin D; Jakeman, Eric

    2010-11-10

    We investigate the effect of finite bandwidth of the incident radiation on scattering by thin layers that introduce random phase or amplitude variations. In particular, we calculate the scintillation index of the propagating radiation for smoothly varying and fractal phase screens and for random telegraph wave and checkerboard amplitude screens. Increasing the bandwidth of the incident radiation reduces the fluctuations of the scattered intensity over the whole propagation path, except in the case of the smoothly varying phase screen, where geometrical optics features in the pattern persist in the focusing region. PMID:21068869

  2. Double torsion testing and finite element analysis for determining the electric fracture properties of piezoelectric ceramics

    SciTech Connect

    Shindo, Yasuhide; Narita, Fumio; Mikami, Masaru

    2005-06-01

    This paper presents the results of an experimental and numerical investigation in electric fracture behavior of composite [Pb(Zr,Ti)O{sub 3}] double torsion (DT) specimens. DT tests were conducted on a commercial piezoelectric ceramic bonded between two metals. Fracture loads under different electric fields were obtained from the experiment. Nonlinear three-dimensional finite element analysis was also employed to calculate the energy release rate for DT specimens based on the exact (permeable) and approximate (impermeable) crack models. The effects of applied electric field and domain switching on the energy release rate are discussed, and the model predictions are compared with the results of the experiments.

  3. Impact of trailing wake drag on the statistical properties and dynamics of finite-sized particle in turbulence

    NASA Astrophysics Data System (ADS)

    Calzavarini, Enrico; Volk, Romain; Lévêque, Emmanuel; Pinton, Jean-François; Toschi, Federico

    2012-02-01

    We study by means of an Eulerian-Lagrangian model the statistical properties of velocity and acceleration of a neutrally-buoyant finite-sized particle in a turbulent flow statistically homogeneous and isotropic. The particle equation of motion, besides added mass and steady Stokes drag, keeps into account the unsteady Stokes drag force-known as Basset-Boussinesq history force-and the non-Stokesian drag based on Schiller-Naumann parametrization, together with the finite-size Faxén corrections. We focus on the case of flow at low Taylor-Reynolds number, Reλ≃31, for which fully resolved numerical data which can be taken as a reference are available [Homann H., Bec J. Finite-size effects in the dynamics of neutrally buoyant particles in turbulent flow. J Fluid Mech 651 (2010) 81-91]. Remarkably, we show that while drag forces have always minor effects on the acceleration statistics, their role is important on the velocity behavior. We propose also that the scaling relations for the particle velocity variance as a function of its size, which have been first detected in fully resolved simulations, does not originate from inertial-scale properties of the background turbulent flow but it is likely to arise from the non-Stokesian component of the drag produced by the wake behind the particle. Furthermore, by means of comparison with fully resolved simulations, we show that the Faxén correction to the added mass has a dominant role in the particle acceleration statistics even for particles whose size attains the integral scale.

  4. Determination of the elastic properties of rabbit vocal fold tissue using uniaxial tensile testing and a tailored finite element model.

    PubMed

    Latifi, Neda; Miri, Amir K; Mongeau, Luc

    2014-11-01

    The aim of the present study was to quantify the effects of the specimen shape on the accuracy of mechanical properties determined from a shape-specific model generation strategy. Digital images of five rabbit vocal folds (VFs) in their initial undeformed conditions were used to build corresponding specific solid models. The displacement field of the VFs under uniaxial tensile test was then measured over the visible portion of the surface using digital image correlation. A three-dimensional finite element model was built, using ABAQUS, for each solid model, while imposing measured boundary conditions. An inverse-problem method was used, assuming a homogeneous isotropic linear elastic constitutive model. Unknown elastic properties were identified iteratively through an error minimization technique between simulated and measured force-time data. The longitudinal elastic moduli of the five rabbit VFs were calculated and compared to values from a simple analytical method and those obtained by approximating the cross-section as elliptical. The use of shape-specific models significantly reduced the standard deviation of the Young׳s moduli of the tested specimens. However, a non-parametric statistical analysis test, i.e., the Friedman test, yielded no statistically significant differences between the shape-specific method and the elliptic cylindrical finite element model. Considering the required procedures to reconstruct the shape-specific finite element model for each tissue specimen, it might be expedient to use the simpler method when large numbers of tissue specimens are to be compared regarding their Young׳s moduli. PMID:25173237

  5. Determination of Oriented Strandboard properties from a three-dimensional density distribution using the finite element method

    NASA Astrophysics Data System (ADS)

    Tackie, Alan Derek Nii

    Computer modeling of Oriented Strand Board (OSB) properties has gained widespread attention with numerous models created to better understand OBS behavior. Recent models allow researchers to observe multiple variables such as changes in moisture content, density and resin effects on panel performance. Thickness-swell variation influences panel durability and often has adverse effects on a structural panel's bending stiffness. The prediction of out-of-plane swell under changing moisture conditions was, therefore, the essence for developing a model in this research. The finite element model accounted for both vertical and horizontal density variations, the three-dimensional (3D) density variation of the board. The density variation, resulting from manufacturing processes, affects the uniformity of thickness-swell in OSB and is often exacerbated by continuous sorption of moisture that leads to potentially damaging internal stresses in the panel. The overall thickness-swell (the cumulative swell from non-uniform horizontal density profile, panel swell from free water, and spring-back from panel compression) was addressed through the finite element model in this research. The pursued goals in this study were, first and foremost, the development of a robust and comprehensive finite element model which integrated several component studies to investigate the effects of moisture variation on the out-of-plane thickness-swell of OSB panels, and second, the extension of the developed model to predict panel stiffness. It is hoped that this paper will encourage researchers to adopt the 3D density distribution approach as a viable approach to analyzing the physical and mechanical properties of OSB.

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

    SciTech Connect

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

    2011-01-01

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

  7. Surface and finite size effects impact on the phase diagrams, polar, and dielectric properties of (Sr,Bi)Ta2O9 ferroelectric nanoparticles

    NASA Astrophysics Data System (ADS)

    Eliseev, E. A.; Semchenko, A. V.; Fomichov, Y. M.; Glinchuk, M. D.; Sidsky, V. V.; Kolos, V. V.; Pleskachevsky, Yu. M.; Silibin, M. V.; Morozovsky, N. V.; Morozovska, A. N.

    2016-05-01

    In the framework of the thermodynamic approach Landau-Ginzburg-Devonshire (LGD) combined with the equations of electrostatics, we investigated the effect of polarization surface screening on finite size effects of the phase diagrams, polar, and dielectric properties of ferroelectric nanoparticles of different shapes. We obtained and analyzed the analytical results for the dependences of the ferroelectric phase transition temperature, critical size, spontaneous polarization, and thermodynamic coercive field on the shape and size of the nanoparticles. The pronounced size effect of these characteristics on the scaling parameter, the ratio of the particle characteristic size to the length of the surface screening, was revealed. Also our modeling predicts a significant impact of the flexo-chemical effect (that is a joint action of flexoelectric effect and chemical pressure) on the temperature of phase transition, polar, and dielectric properties of nanoparticles when their chemical composition deviates from the stoichiometric one. We showed on the example of the stoichiometric nanosized SrBi2Ta2O9 particles that except the vicinity of the critical size, where the system splitting into domains has an important role, results of analytical calculation of the spontaneous polarization have a little difference from the numerical ones. We revealed a strong impact of the flexo-chemical effect on the phase transition temperature, polar, and dielectric properties of SryBi2+xTa2O9 nanoparticles when the ratio Sr/Bi deviates from the stoichiometric value of 0.5 within the range from 0.35 to 0.65. From the analysis of experimental data, we derived the parameters of the theory, namely, the coefficients of expansion of the LGD functional, the contribution of flexo-chemical effect, and the length of the surface screening.

  8. Low Temperature Crystal Structure and Magnetic Properties of RAl2

    SciTech Connect

    Pathak, Arjun K.; Paudyal, Durga; Gschneidner, Karl A.; Pecharsky, Vitalij K.

    2014-01-08

    Low temperature crystal structure and magnetic properties of RAl2 (R = Pr and Nd) have been studied using temperature dependent powder x-ray diffraction, magnetization, and heat capacity measurements. Unlike PrAl2, NdAl2 retains cubic MgCu2-type structure from room temperature down to 5 K, which is also confirmed from first principles electronic structure calculations. The magnetization measurements show both PrAl2 and NdAl2 order ferromagnetically at TC = 32 K and 77 K, respectively. However, the magnetization measurements show the former is a hard ferromagnet compared to the latter which is a soft ferromagnetic material. The magnetic entropy change obtained from heat capacity measurements at ΔH = 30 kOe for PrAl2 and NdAl2 are 3.15 J mol-1 K-1 and 1.18 J mol-1 K-1, respectively.

  9. Pressure and temperature induced elastic properties of rare earth chalcogenides

    NASA Astrophysics Data System (ADS)

    Shriya, S.; Singh, N.; Sapkale, R.; Varshney, M.; Varshney, Dinesh

    2016-05-01

    The pressure and temperature dependent mechanical properties as Young modulus, Thermal expansion coefficient of rare earth REX (RE = La, Pr, Eu; X = O, S, Se, and Te) chalcogenides are studied. The rare earth chalcogenides showed a structural phase transition (B1-B2). Pressure dependence of Young modulus discerns an increase in pressure inferring the hardening or stiffening of the lattice as a consequence of bond compression and bond strengthening. Suppressed Young modulus as functions of temperature infers the weakening of the lattice results in bond weakening in REX. Thermal expansion coefficient demonstrates that REX (RE = La, Pr, Eu; X = O, S, Se, and Te) chalcogenides is mechanically stiffened, and thermally softened on applied pressure and temperature.

  10. Superconducting properties of copper oxide high-temperature superconductors

    PubMed Central

    Chen, Guanhua; Langlois, Jean-Marc; Guo, Yuejin; Goddard, William A.

    1989-01-01

    The equations for the magnon pairing theory of high-temperature copper-oxide-based superconductors are solved and used to calculate several properties, leading to results for specific heat and critical magnetic fields consistent with experimental results. In addition, the theory suggests an explanation of why there are two sets of transition temperatures (Tc ≈ 90 K and Tc ≈ 55 K) for the Y1Ba2Cu3O6+x class of superconductors. It also provides an explanation of why La2-xSrxCuO4 is a superconductor for only a small range of x (and suggests an experiment to independently test the theory). These results provide support for the magnon pairing theory of high-temperature superconductors. On the basis of the theory, some suggestions are made for improving these materials. PMID:16594038

  11. Temperature dependence of the properties of vapor-deposited polyimide

    NASA Astrophysics Data System (ADS)

    Tsai, F. Y.; Blanton, T. N.; Harding, D. R.; Chen, S. H.

    2003-04-01

    The Young's modulus and helium gas permeability of vapor-deposited poly(4,4'-oxydiphenylenepyromellitimide) were measured at cryogenic and elevated temperatures (10-573 K). The Young's modulus decreased with increasing temperature from 5.5 GPa at 10 K to 1.8 GPa at 573 K. The temperature dependency of the permeability followed the Arrhenius' relationship, with different activation energy for permeation for samples imidized under different conditions. The effect of the imidization conditions on the permeation properties could be explained in terms of morphology/crystallinity as determined by x-ray diffraction techniques. Imidizing in air instead of nitrogen increased the permeability while lowering the activation energy for permeation and crystallinity. Imidizing at higher heating rates (in nitrogen) resulted in higher permeability, lower activation energy for permeation, and larger and fewer crystallites with better-aligned lattice planes.

  12. Physical properties of Ce-TZP at cryogenic temperature

    NASA Astrophysics Data System (ADS)

    Han, Y. M.; Chen, Z.; Zhou, M.; Huang, R. J.; Huang, C. J.; Li, L. F.

    2014-01-01

    Electrical insulators, which are used to insulate cryogenic supply lines and conductor windings, are critical units in superconducting TOKAMAK magnets. Electrical insulators used in superconducting magnets fall into axial and radial insulators. These insulators can be made from glass ribbon epoxy densification and have been used in the Experiment Advanced Superconducting Tokamak (EAST). The properties of Ce-TZP can satisfy the requirement of electrical insulators. In this paper, thermal conductivity, mechanical properties and coefficient of thermal expansion of Ce-TZP have been investigated at cryogenic temperatures. Results indicate that the Ce-TZP shows better properties than epoxy and it demonstrates that the Ce-TZP can be used as insulation material in superconducting magnets.

  13. Low-temperature thermal properties of a hyperaged geological glass

    NASA Astrophysics Data System (ADS)

    Pérez-Castañeda, Tomás; Jiménez Riobóo, Rafael J.; Ramos, Miguel A.

    2013-07-01

    We have measured the specific heat of amber from the Dominican Republic, an ancient geological glass about 20 million years old, in the low-temperature range 0.6 K ≤ T ≤ 26 K, in order to assess the effects of its natural stabilization (hyperageing) process on the low-temperature glassy properties, i.e. boson peak and two-level systems. We have also conducted modulated differential scanning calorimetry experiments to characterize the thermodynamic state of our samples. We found that calorimetric curves exhibit a huge ageing signal ΔH ≈ 5 J g-1 in the first upscan at the glass transition Tg = 389 K, that completely disappears after heating up (rejuvenating) the sample to T = 395 K for 3 h. To independently evaluate the phonon contribution to the specific heat, Brillouin spectroscopy was performed in the temperature range 80 K ≤ T ≤ 300 K. An expected increase in the Debye level was observed after rejuvenating the Dominican amber. However, no significant change was observed in the low-temperature specific heat of glassy amber after erasing its thermal history: both its boson peak (i.e., the maximum in the Cp/T3 representation) and the density of tunnelling two-level systems (i.e., the Cp ˜ T contribution at the lowest temperatures) remained essentially the same. Also, a consistent analysis using the soft-potential model of our Cp data and earlier thermal-conductivity data found in the literature further supports our main conclusion, namely, that these glassy ‘anomalous’ properties at low temperatures remain essentially invariant after strong relaxational processes such as hyperageing.

  14. Effects of the parallel electron dynamics and finite ion temperature on the plasma blob propagation in the scrape-off layer

    SciTech Connect

    Jovanovic, D.; Shukla, P. K.; Pegoraro, F.

    2008-11-15

    A new three-dimensional model for the warm-ion turbulence at the tokamak edge plasma and in the scrape-off layer is proposed, and used to study the dynamics of plasma blobs in the scrape-off layer. The model is based on the nonlinear interchange mode, coupled with the nonlinear resistive drift mode, in the presence of the magnetic curvature drive, the density inhomogeneity, the electron dynamics along the open magnetic field lines, and the electron-ion and electron-neutral collisions. Within the present model, the effect of the sheath resistivity decreases with the distance from the wall, resulting in the bending and the break up of the plasma blob structure. Numerical solutions exhibit the coupling of interchange modes with nonlinear drift modes, causing the collapse of the blob in the lateral direction, followed by a clockwise rotation and radial propagation. The symmetry breaking, caused both by the parallel resistivity and the finite ion temperature, introduces a poloidal component in the plasma blob propagation, while the overall stability properties and the speed are not affected qualitatively.

  15. Numerical study of DNA denaturation with self-avoidance: pseudo-critical temperatures and finite size behaviour

    NASA Astrophysics Data System (ADS)

    Coluzzi, Barbara; Yeramian, Edouard

    2016-04-01

    We perform an extensive numerical study of the disordered Poland-Scheraga (PS) model for DNA denaturation in which self-avoidance is completely taken into account. To complement to our previous work, we focus here on the finite size scaling in terms of pseudo-critical temperatures. Notably, we find that the mean value and the fluctuations of the pseudo-T c scale with the same exponent, the correlation length exponent {ν\\text{r}} (for which we provide the refined evaluation {ν\\text{r}}=2.9+/- 0.4 ). This result (coherent with the typical picture that describes random ferromagnets when disorder is relevant) is at variance with the numerical results reported in the literature for the PS model with self-avoidance, leading to an alternative scenario with a pseudo-first-order transition. We moreover introduce a crossover chain length N *, which we evaluate, appropriate for characterizing the approach to the asymptotic regime in this model. Essentially, below N *, the behaviour of the model in our study could also agree with such an alternative scenario. Based on an approximate prediction of the dependence of N * on the parameters of the model, we show that following the choice of such parameters it would not be possible to reach the asymptotic regime in practice. In such a context it becomes then possible to reconcile the apparently contradictory numerical studies.

  16. Total and correlation energy of the uniform polarized electron gas at finite temperature: Direct path integral simulations

    NASA Astrophysics Data System (ADS)

    Filinov, V. S.; Fortov, V. E.; Bonitz, M.; Moldabekov, Zh

    2015-11-01

    The uniform electron gas (UEG) at finite temperature has recently attracted substantial interest due to the experimental progress in the field of warm dense matter. To explain the experimental data accurate theoretical models for high density plasmas are needed which crucially depend on treatment of quantum effects in electron-electron interaction as well as in the interaction of electrons with uniform positive background. To comply with these requirements we have developed the new quantum path integral model of the UEG and present the results of related direct path integral Monte-Carlo (DPIMC) simulations. Contrary to the known in literature approaches treating the electron-background interaction classically our simulations take into account the quantum effects in this interaction. We have observed very good agreement with known in literature results only up to moderate densities when the ratio of the average interparticle distance to the Bohr radius is of order four (rs ≥ 4) and observe deviations for higher densities. At very high electron density (rs ≈ 1) presented in literature approaches as well as our simulations are problematic due to the strong degeneracy of electrons and increasing fermion sign problem.

  17. Finite dose diffusion studies: III. Effects of temperature, humidity and deposit manipulation on NAA penetration through isolated tomato fruit cuticles.

    PubMed

    Knoche, M; Bukovac, M J

    2001-08-01

    Effects of temperature, humidity, rewetting and removal of deposits on penetration of NAA [2-(1-naphthyl)acetic acid] through isolated tomato (Lycopersicon esculentum Mill) fruit cuticles were studied using a finite dose diffusion system. In this system, an aqueous 5-microliter droplet (0.1 mM NAA in 20 mM citric acid buffer) is applied to the outer surface of a cuticle, which is mounted in a glass diffusion half-cell. The cell wall surface is in contact with a receiver solution (20 mM citrate). Penetration is monitored by repeated sampling of the receiver solution. Droplets appeared dry on visual inspection within 1 h of application, but significant NAA penetration continued after droplet drying. Maximum rates of NAA penetration increased exponentially as temperature was increased (from 5 degrees to 35 degrees C), the energy of activation averaging 153 (+/- 11.6)kJ mol-1. At 35 degrees C, penetration reached a plateau within 10 h of application (at 91.1 (+/- 1.0)% of dose applied) while at 5 degrees C penetration after 800 h reached only 30.2 (+/- 7.5)%. Increasing relative humidity from 20 to 80% increased maximum rates [from 1.0 (+/- 0.21) to 2.7 (+/- 0.80)% h-1] and penetration at 120 h after application [from 36.8 (+/- 2.1) to 64.3 (+/- 3.7)%]. Rewetting deposits at 120, 240 and 360 h after application resulted in increased NAA penetration. However, amounts and rates of NAA penetration progressively decreased with each subsequent rewetting. Removal of deposits by cellulose acetate stripping at various times after droplet application resulted in a rapid decrease in NAA penetration. NAA penetration following deposit removal was always less than 6.1% of the amount of NAA applied and averaged 0.5 (+/- 0.2)% when deposits were removed immediately after droplet drying. PMID:11517728

  18. Effects of finite probing windows on the interpretation of the multifractal properties of random walks

    NASA Astrophysics Data System (ADS)

    Giuggioli, L.; Viswanathan, G. M.; Kenkre, V. M.; Parmenter, R. R.; Yates, T. L.

    2007-02-01

    We investigate the general problem of how the finiteness of a probing window for measurements of the movements of a random walker can lead to spurious detection of multifractality as well as to incorrect values of Hurst exponents, and propose a method for correcting for these effects. We also study the case in which the roaming region of the walker is itself of limited extent, when a nonlinear interplay occurs between the roaming area and the window size. In the context of animal movements, we describe briefly an application of these ideas to mark-recapture observations in a mouse population, of interest to the important topic of the spread of the Hantavirus epidemic.

  19. Impact of temperature on the biological properties of soil

    NASA Astrophysics Data System (ADS)

    Borowik, Agata; Wyszkowska, Jadwiga

    2016-01-01

    The aim of the study was to determine the response of soil microorganisms and enzymes to the temperature of soil. The effect of the temperatures: 5, 10, 15, 20, and 25°C on the biological properties of soil was investigated under laboratory conditions. The study was performed using four different soils differing in their granulometric composition. It was found that 15°C was the optimal temperature for the development of microorganisms in soil. Typically, in the soil, the highest activity of dehydrogenases was observed at 10-15°C, catalase and acid phosphatase - at 15°C, alkaline phosphatase at 20°C, urease and β-glucosidase at 25°C. The highest colony development index for heterotrophic bacteria was recorded in soils incubated at 25°C, while for actinomycetes and fungi at 15°C. The incubation temperature of soil only slightly changed the ecophysiological variety of the investigated groups of microorganisms. Therefore, the observed climate changes might have a limited impact on the soil microbiological activity, because of the high ability of microorganisms to adopt. The response of soil microorganisms and enzymes was more dependent on the soil granulometric composition, organic carbon, and total nitrogen than on its temperature.

  20. Time-Temperature Superposition Applied to PBX Mechanical Properties

    NASA Astrophysics Data System (ADS)

    Thompson, Darla; Deluca, Racci

    2011-06-01

    The use of plastic-bonded explosives (PBXs) in weapon applications requires a certain level of structural/mechanical integrity. Uniaxial tension and compression experiments characterize the mechanical response of materials over a wide range of temperatures and strain rates, providing the basis for predictive modeling in more complex geometries. After years of data collection on a wide variety of PBX formulations, we have applied time-temperature superposition principles to a mechanical properties database which includes PBX 9501, PBX 9502, PBXN-110, PBXN-9, and HPP (propellant). The results of quasi-static tension and compression, SHPB compression, and cantilever DMA are compared. Time-temperature relationships of maximum stress and corresponding strain values are analyzed in addition to the more conventional analysis of modulus. Our analysis shows adherence to the principles of time-temperature superposition and correlations of mechanical response to the binder glass transition and specimen density. Direct ties relate time-temperature analysis to the underlying basis of existing PBX mechanical models (ViscoSCRAM). Results suggest that, within limits, mechanical response can be predicted at conditions not explicitly measured. LA-UR 11-01096.

  1. Time-temperature superposition applied to PBX mechanical properties

    NASA Astrophysics Data System (ADS)

    Thompson, Darla; DeLuca, Racci; Wright, Walter J.

    2012-03-01

    The use of plastic-bonded explosives (PBXs) in weapon applications requires that they possess and maintain a level of structural/mechanical integrity. Uniaxial tension and compression experiments are typically used to characterize the mechanical response of materials over a wide range of temperatures and strain rates, providing the basis for predictive modeling in more complex geometries. After many years of data collection on a variety of PBX formulations, we have here applied the principles of time-temperature superposition to a mechanical properties database which includes PBX 9501, PBX 9502, PBXN-110, PBXN-9, and HPP (propellant). Consistencies are demonstrated between the results of quasi-static tension and compression, dynamic Split-Hopkinson Pressure Bar (SHPB) compression, and cantilever Dynamic Mechanical Analysis (DMA). Timetemperature relationships of maximum stress and corresponding strain values are analyzed, in addition to the more conventional analysis of modulus. The extensive analysis shows adherence to the principles of time-temperature superposition and correlations of mechanical response to binder glasstransition temperature (Tg) and specimen density. Direct ties exist between the time-temperature analysis and the underlying basis of a useful existing PBX mechanical model (ViscoSCRAM). Results give confidence that, with some limitations, mechanical response can be predicted at conditions not explicitly measured.

  2. Measurement of the properties of lossy materials inside a finite conducting cylinder

    NASA Technical Reports Server (NTRS)

    Dominek, A.; Park, A.; Caldecott, R.

    1988-01-01

    Broadband, swept frequency measurement techniques were investigated for the evaluation of the electrical performance of thin, high temperature material coatings. Reflections and transmission measurements using an HP8510B Network Analyzer were developed for an existing high temperature test rig at NASA Lewis Research Center. Reflection measurements will be the initial approach used due to fixture simplicity even though surface wave transmission measurements would be more sensitive. The minimum goal is to monitor the electrical change of the material's performance as a function of temperature. If possible, the materials constitutive parameters, epsilon and muon will be found.

  3. Calibration of the mechanical properties in a finite element model of a lumbar vertebra under dynamic compression up to failure.

    PubMed

    Garo, Anaïs; Arnoux, Pierre Jean; Wagnac, Eric; Aubin, Carl Eric

    2011-12-01

    Finite element models (FEM) dedicated to vertebral fracture simulations rarely take into account the rate dependency of the bone material properties due to limited available data. This study aims to calibrate the mechanical properties of a vertebral body FEM using an inverse method based on experiments performed at slow and fast dynamic loading conditions. A detailed FEM of a human lumbar vertebral body (23,394 elements) was developed and tested under compression at 2,500 and 10 mm s⁻¹. A central composite design was used to adjust the mechanical properties (Young modulus, yield stress, and yield strain) while optimizing four criteria (ultimate strain and stress of cortical and trabecular bone) until the failure load and energy at failure reached experimental results from the literature. At 2,500 mm s⁻¹, results from the calibrated simulation were in good agreement with the average experimental data (1.5% difference for the failure load and 0.1% for the energy). At 10 mm s⁻¹, they were in good agreement with the average experimental failure load (0.6% difference), and within one standard deviation of the reported range of energy to failure. The proposed method provides a relevant mean to identify the mechanical properties of the vertebral body in dynamic loadings.

  4. Error Estimation of Nanoindentation Mechanical Properties Near a Dissimilar Interface via Finite Element Analysis and Analytical Solution Methods.

    PubMed

    Zhao, Y; Ovaert, T C

    2010-12-01

    Nanoindentation methods are well suited for probing the mechanical properties of a heterogeneous surface, since the probe size and contact volumes are small and localized. However, the nanoindentation method may introduce errors in the computed mechanical properties when indenting near the interface between two materials having significantly different mechanical properties. Here we examine the case where a soft material is loaded in close proximity to an interface of higher modulus, such as the case when indenting bone near a metallic implant. Results are derived from both an approximate analytical quarter-space solution and a finite element model, and used to estimate the error in indentation-determined elastic modulus as a function of the distance from the apex of contact to the dissimilar interface, for both Berkovich and spherical indenter geometries. Sample data reveal the potential errors in mechanical property determination that can occur when indenting near an interface having higher stiffness, or when characterizing strongly heterogeneous materials. The results suggest that caution should be used when interpreting results in the near-interfacial region.

  5. Scaling Properties and Asymptotic Spectra of Finite Models of Phase Transitions as They Approach Macroscopic Limits

    NASA Astrophysics Data System (ADS)

    Rowe, D. J.; Turner, P. S.; Rosensteel, G.

    2004-11-01

    The asymptotic spectra and scaling properties of a mixed-symmetry Hamiltonian, which exhibits a second-order phase transition in its macroscopic limit, are examined for a system of N interacting bosons. A second interacting boson-model Hamiltonian, which exhibits a first-order phase transition, is also considered. The latter shows many parallel characteristics and some notable differences, leaving it open to question as to the nature of its asymptotic critical-point properties.

  6. Scaling properties and asymptotic spectra of finite models of phase transitions as they approach macroscopic limits.

    PubMed

    Rowe, D J; Turner, P S; Rosensteel, G

    2004-12-01

    The asymptotic spectra and scaling properties of a mixed-symmetry Hamiltonian, which exhibits a second-order phase transition in its macroscopic limit, are examined for a system of N interacting bosons. A second interacting boson-model Hamiltonian, which exhibits a first-order phase transition, is also considered. The latter shows many parallel characteristics and some notable differences, leaving it open to question as to the nature of its asymptotic critical-point properties.

  7. Characterization of sapphire: For its material properties at high temperatures

    NASA Astrophysics Data System (ADS)

    Bal, Harman Singh

    There are numerous needs for sensing, one of which is in pressure sensing for high temperature application such as combustion related process and embedded in aircraft wings for reusable space vehicles. Currently, silicon based MEMS technology is used for pressure sensing. However, due to material properties the sensors have a limited range of approximately 600 °C which is capable of being pushed towards 1000 °C with active cooling. This can introduce reliability issues when you add more parts and high flow rates to remove large amounts of heat. To overcome this challenge, sapphire is investigated for optical based pressure transducers at temperatures approaching 1400 °C. Due to its hardness and chemical inertness, traditional cutting and etching methods used in MEMS technology are not applicable. A method that is being investigated as a possible alternative is laser machining using a picosecond laser. In this research, we study the material property changes that occur from laser machining and quantify the changes with the experimental results obtained by testing sapphire at high-temperature with a standard 4-point bending set-up.

  8. Exfoliated black phosphorus gas sensing properties at room temperature

    NASA Astrophysics Data System (ADS)

    Donarelli, M.; Ottaviano, L.; Giancaterini, L.; Fioravanti, G.; Perrozzi, F.; Cantalini, C.

    2016-06-01

    Room temperature gas sensing properties of chemically exfoliated black phosphorus (BP) to oxidizing (NO2, CO2) and reducing (NH3, H2, CO) gases in a dry air carrier have been reported. To study the gas sensing properties of BP, chemically exfoliated BP flakes have been drop casted on Si3N4 substrates provided with Pt comb-type interdigitated electrodes in N2 atmosphere. Scanning electron microscopy and x-ray photoelectron spectroscopy characterizations show respectively the occurrence of a mixed structure, composed of BP coarse aggregates dispersed on BP exfoliated few layer flakes bridging the electrodes, and a clear 2p doublet belonging to BP, which excludes the occurrence of surface oxidation. Room temperature electrical tests in dry air show a p-type response of multilayer BP with measured detection limits of 20 ppb and 10 ppm to NO2 and NH3 respectively. No response to CO and CO2 has been detected, while a slight but steady sensitivity to H2 has been recorded. The reported results confirm, on an experimental basis, what was previously theoretically predicted, demonstrating the promising sensing properties of exfoliated BP.

  9. B_c B_c J/ψ vertex form factor at finite temperature in the framework of QCD sum rules approach

    NASA Astrophysics Data System (ADS)

    Yazici, E.; Sundu, H.; Veliev, E. Veli

    2016-02-01

    The strong form factor of the Bc BcJ/Ψ vertex is calculated in the framework of the QCD sum rules method at finite temperature. Taking into account additional operators appearing at finite temperature, a thermal Wilson expansion is obtained and QCD sum rules are derived. While increasing the temperature, the strong form factor remains unchanged up to T˜eq 100 MeV but slightly increases after this point. After T˜eq 160 MeV, the form factor suddenly decreases up to T˜eq 170 MeV. The obtained result of the coupling constant by fitting the form factor at Q^2=-m^2_{offshell} at T=0 is in a very good agreement with the QCD sum rules calculations in the case of vacuum. Our prediction can be checked in future experiments.

  10. Investigating Low Temperature Properties of Rubber Seals - 13020

    SciTech Connect

    Jaunich, M.; Wolff, D.; Stark, W.

    2013-07-01

    To achieve the required tightness levels of containers for low and intermediate level radioactive wastes rubbers are widely applied as main sealing materials. The save encapsulation of the radioactive container contents has to be guaranteed according to legislation and appropriate guidelines for long storage periods as well as down to temperatures of -40 deg. C during transportation. Therefore the understanding of failure mechanisms that lead to leakage at low temperatures is of high importance. It is known that the material properties of rubbers are strongly influenced by temperature. At low temperatures this is caused by the rubber-glass transition (abbr. glass transition). During continuous cooling the material changes from rubber-like entropy-elastic to stiff energy-elastic behaviour, that allows nearly no strain or retraction. Therefore, rubbers are normally used above their glass transition but the minimum working temperature limit is not defined precisely, what can cause problems during application. The temperature range where full functionality is possible is strongly dependent on the application conditions and the material. For this investigation mainly ethylene propylene diene (EPDM) and fluorocarbon rubbers (FKM) were selected as they are often used for radioactive waste containers. Differential Scanning Calorimetry (DSC) and Dynamic Mechanical Analysis (DMA) are typically used for the determination of the temperature range of the glass transition process. The standardized compression set measurement according to ISO 815 is common for investigation of rubber sealing materials as the test simulates the seal behaviour after release. To reduce the test time of the standard tests a faster technique giving the same information was developed. Additionally, the breakdown temperature of the sealing function of complete O-ring seals is measured in a component test setup to compare it with the results of the other tests. The experimental setup is capable of

  11. Reconstructing thermal properties of firn at Summit, Greenland from a temperature profile

    NASA Astrophysics Data System (ADS)

    Giese, A. L.; Hawley, R. L.

    2013-12-01

    Thermodynamic properties of firn are important factors when considering energy balance and temperature-dependent physical processes in the near-surface of glaciers. Of particular interest is thermal diffusivity, which can take a range of values and which governs both the temperature gradient and its evolution through time. Given that temperature is a well-established driver of firn densification, a better understanding of heat transfer will permit greater accuracy in the compaction models essential for interpreting inter-annual and seasonal ice surface elevation changes detected by airborne and satellite altimetry. Due to its dependence on microstructure, diffusivity can vary significantly by location. Rather than directly measuring diffusivity or one of its proxies (e.g. density, hardness, shear strength), this study inverts the heat equation to reconstruct diffusivity values. This is a less logistically-intensive approach which circumvents many of the challenges associated with imperfect proxies and snow metamorphism during measurement. Hourly records (May 2004 - July 2008) from 8 thermistors placed in the top 10 m at Summit, Greenland provide temperature values for Summit's firn, which is broadly representative of firn across the ice sheet's dry snow zone. In this study, we use both physical analysis and a finite-difference numerical model to determine a diffusivity magnitude and gradient; we find that diffusivity of Summit firn falls in the lower end of the range expected from local density and temperature conditions alone (i.e. 15 - 36 m^2/a for firn at -30C). Further, we assess the utility of our modeling approach, explore the validity of assuming bulk conductive heat transfer when modeling temperature changes in non-homogeneous firn, and investigate the implications of a low-end diffusivity value for surface compaction modeling in Greenland.

  12. Nonlinear acoustic properties of ex vivo bovine liver and the effects of temperature and denaturation

    NASA Astrophysics Data System (ADS)

    Jackson, E. J.; Coussios, C.-C.; Cleveland, R. O.

    2014-06-01

    Thermal ablation by high intensity focused ultrasound (HIFU) has a great potential for the non-invasive treatment of solid tumours. Due to the high pressure amplitudes involved, nonlinear acoustic effects must be understood and the relevant medium property is the parameter of nonlinearity B/A. Here, B/A was measured in ex vivo bovine liver, over a heating/cooling cycle replicating temperatures reached during HIFU ablation, adapting a finite amplitude insertion technique, which also allowed for measurement of sound-speed and attenuation. The method measures the nonlinear progression of a plane wave through liver and B/A was chosen so that numerical simulations matched the measured waveforms. To create plane-wave conditions, sinusoidal bursts were transmitted by a 100 mm diameter 1.125 MHz unfocused transducer and measured using a 15 mm diameter 2.25 MHz broadband transducer in the near field. Attenuation and sound-speed were calculated using a reflected pulse from the smaller transducer using the larger transducer as the reflecting interface. Results showed that attenuation initially decreased with heating then increased after denaturation, the sound-speed initially increased with temperature and then decreased, and B/A showed an increase with temperature but no significant post-heating change. The B/A data disagree with other reports that show a significant change and we suggest that any nonlinear enhancement in the received ultrasound signal post-treatment is likely due to acoustic cavitation rather than changes in tissue nonlinearity.

  13. Computation of Mechanical Properties of a Poly-(Styrene-Butadiene-Styrene) Copolymer using a Mixed Finite Element Approach

    NASA Astrophysics Data System (ADS)

    Baeurle, Stephan A.; Fredrickson, Glenn H.; Gusev, Andrei A.

    2004-03-01

    Despite of several decades of research, the nature of linear elasticity in microphase-separated copolymers with chemically connected glass-rubber phases is still not fully understood. In this presentation we discuss the results of an investigation of the linear elastic properties of a poly-(styrene-butadiene-styrene) triblock copolymer using a mixed finite element approach. The technique permits to deal with phases of full incompressibility as well as phases of near incompressibility as they occur in this two-component system. Strikingly and contrary to the common belief, we find that the continuum description is accurate and that no additional detailed molecular information is needed to reproduce the available linear elastic experimental data. The anomalous Poisson's ratio of the polybutadiene phase of 0.37, determined by previous authors and attributed to molecular characteristics of the polybutadiene phase, is found to be related to end-effect errors made in their tensile and torsional experiments. We also test the suitability of several semi-phenomenological models in reproducing the experimental measurements. We find that some of the methods provide reliable results of accuracy comparable to our mixed finite element approach.

  14. Molecular dynamics study of grain boundary structure and properties at high temperatures

    NASA Astrophysics Data System (ADS)

    Fensin, Saryu Jindal

    This thesis reports research involving the development and application of atomistic simulation methods to study the effects of high homologous temperatures on the structural, thermodynamic, kinetic and mechanical properties of grain boundaries in metals. Our interest in these properties is due to the role they play in governing the evolution of microstructure and deformation of metals during solidification processing. The interest in developing more predictive models for the formation of solidification defects highlights a need to better understand the thermodynamic driving forces underlying grain-boundary premelting and the mobility and shear strength of these interfaces at high temperatures. In this work we study two different elemental systems, namely Ni and Cu, and consider a variety of grain boundary structures characterized by different misorientation angles, twist/tilt character and zero-temperature energies. A method to calculate the disjoining potential from molecular dynamics (MD) is developed and applied to grain boundaries in Ni. The disjoining potential characterizes the variation in grain-boundary free energy as a function of the width of a premelted interfacial layer. The MD method for the calculation of this property is applied to grain boundaries that display continuous premelting transitions, as well as a boundary characterized by a disordered atomic structure displaying a finite interfacial width at the melting temperature. The disjoining potential represents an important input property to larger scale models of solidification and grain coalescence. We further develop analysis methods to characterize the change in the atomic structure of an asymmetric tilt grain boundary in elemental Cu as a function of temperature. This boundary is characterized by a potential-energy surface with multiple minima as a function of the relative translation of the grains parallel to the interface plane. The more complex structure of this boundary, relative to the

  15. RF properties of high temperature superconductors: Cavity methods

    SciTech Connect

    Portis, A.M. ); Cooke, D.W.; Gray, E.R. )

    1990-01-01

    A description of cavities used in the study of the microwave properties of the high-temperature superconductors is followed by a lumped-circuit analysis of the coupling of transmission lines and resonators. The frequency dependence of the reflected and transmitted microwave power and the character of transient cavity response are analyzed. Techniques are discussed for the introduction of samples of the high-temperature superconductors into microwave cavities. Following a discussion of sample surface impedance and sample geometry factor, the connection between surface resistance and cavity Q is examined as well as the connection between cavity frequency shift and surface reactance. Measurement techniques that utilize reflected or transmitted power or transient response are described. 35 refs., 1 fig.

  16. Adaptive Surrogate Modeling for Expedited Estimation of Nonlinear Tissue Properties Through Inverse Finite Element Analysis

    PubMed Central

    Halloran, Jason P.; Erdemir, Ahmet

    2011-01-01

    Simulation-based prediction of specimen-specific biomechanical behavior commonly requires inverse analysis using geometrically consistent finite element (FE) models. Optimization drives such analyses but previous studies have highlighted a large computational cost dictated by iterative use of nonlinear FE models. The goal of this study was to evaluate the performance of a local regression-based adaptive surrogate modeling approach to decrease computational cost for both global and local optimization approaches using an inverse FE application. Nonlinear elastic material parameters for patient-specific heel-pad tissue were found, both with and without the surrogate model. Surrogate prediction replaced a FE simulation using local regression of previous simulations when the corresponding error estimate was less than a given tolerance. Performance depended on optimization type and tolerance value. The surrogate reduced local optimization expense up to 68%, but achieved accurate results for only 1 of 20 initial conditions. Conversely, up to a tolerance value of 20 N2, global optimization with the surrogate yielded consistent parameter predictions with a concurrent decrease in computational cost (up to 77%). However, the local optimization method without the surrogate, although sensitive to the initial conditions, was still on average seven times faster than the global approach. Our results help establish guide-lines for setting acceptable tolerance values while using an adaptive surrogate model for inverse FE analysis. Most important, the study demonstrates the benefits of a surrogate modeling approach for intensive FE-based iterative analysis. PMID:21544674

  17. Thermo-Physical Properties of Intermediate Temperature Heat Pipe Fluids

    NASA Technical Reports Server (NTRS)

    Beach, Duane E. (Technical Monitor); Devarakonda, Angirasa; Anderson, William G.

    2005-01-01

    Heat pipes are among the most promising technologies for space radiator systems. The paper reports further evaluation of potential heat pipe fluids in the intermediate temperature range of 400 to 700 K in continuation of two recent reports. More thermo-physical property data are examined. Organic, inorganic, and elemental substances are considered. The evaluation of surface tension and other fluid properties are examined. Halides are evaluated as potential heat pipe fluids. Reliable data are not available for all fluids and further database development is necessary. Many of the fluids considered are promising candidates as heat pipe fluids. Water is promising as a heat pipe fluid up to 500 to 550 K. Life test data for thermo-chemical compatibility are almost non-existent.

  18. Influence of hydrogen bonds and temperature on dielectric properties

    NASA Astrophysics Data System (ADS)

    Ortiz de Urbina, Jordi; Sesé, Gemma

    2016-07-01

    Dielectric properties are evaluated by means of molecular dynamics simulations on two model systems made up of dipolar molecules. One of them mimics methanol, whereas the other differs from the former only in the ability to form hydrogen bonds. Static dielectric properties such as the permittivity and the Kirkwood factor are evaluated, and results are analyzed by considering the distribution of relative orientations between molecular dipoles. Dipole moment-time correlation functions are also evaluated. The relevance of contributions associated with autocorrelations of molecular dipoles and with cross-correlations between dipoles belonging to different molecules has been investigated. For methanol, the Debye approximation for the overall dipole moment correlation function is not valid at room temperature. The model applies when hydrogen bonds are suppressed, but it fails upon cooling the nonassociated liquid. Important differences between relaxation times associated with dipole auto- versus cross-correlations as well as their relative relevance are at the root of the Debye model breakdown.

  19. Influence of hydrogen bonds and temperature on dielectric properties.

    PubMed

    Ortiz de Urbina, Jordi; Sesé, Gemma

    2016-07-01

    Dielectric properties are evaluated by means of molecular dynamics simulations on two model systems made up of dipolar molecules. One of them mimics methanol, whereas the other differs from the former only in the ability to form hydrogen bonds. Static dielectric properties such as the permittivity and the Kirkwood factor are evaluated, and results are analyzed by considering the distribution of relative orientations between molecular dipoles. Dipole moment-time correlation functions are also evaluated. The relevance of contributions associated with autocorrelations of molecular dipoles and with cross-correlations between dipoles belonging to different molecules has been investigated. For methanol, the Debye approximation for the overall dipole moment correlation function is not valid at room temperature. The model applies when hydrogen bonds are suppressed, but it fails upon cooling the nonassociated liquid. Important differences between relaxation times associated with dipole auto- versus cross-correlations as well as their relative relevance are at the root of the Debye model breakdown. PMID:27575177

  20. Thermo-Physical Properties of Intermediate Temperature Heat Pipe Fluids

    NASA Technical Reports Server (NTRS)

    Devarakonda, Angirasa; Anderson, William G.

    2004-01-01

    Heat pipes are among the most promising technologies for space radiator systems. The paper reports further evaluation of potential heat pipe fluids in the intermediate temperature range of 400 to 700 K in continuation of two recent reports. More thermo-physical property data are examined. Organic, inorganic and elemental substances are considered. The evaluation of surface tension and other fluid properties are examined. Halides are evaluated as potential heat pipe fluids. Reliable data are not available for all fluids and further database development in necessary. Many of the fluids considered are promising candidates as heat pipe fluids. Water is promising as a heat pipe fluid up to 500-550 K. Life test data for thermo-chemical compatibility are almost non-existent.

  1. Texture-property relationships in the high temperature superconductors

    SciTech Connect

    Rollett, A.D.; Heidelbach, F.; Schofield, T.G.; Muenschausen, R.E.; Raistrick, I.D.; Arendt, P.N.; Korzekwa, D.A.; Bennett, K. ); Wenk, H.R. ); Kallend, J.S. )

    1990-01-01

    Textures have been measured by means of x-ray pole figures for high temperature superconductor materials in both bulk and thin film form. Variations in the epitaxy of the yttrium-based thin films are correlated with processing history and properties. Textures are given for deformation-processed Bi-based material, which, when subsequently melt-processed, exhibits high critical currents. The surface resistance of Tl-based films on a silver substrate are correlated with the sharpness of the texture. 13 refs., 6 figs., 3 tabs.

  2. Characterization of High Temperature Mechanical Properties Using Laser Ultrasound

    SciTech Connect

    David Hurley; Stephen Reese; Farhad Farzbod; Rory Kennedy

    2012-05-01

    Mechanical properties are controlled to a large degree by defect structures such as dislocations and grain boundaries. These microstructural features involve a perturbation of the perfect crystal lattice (i.e. strain fields). Viewed in this context, high frequency strain waves (i.e. ultrasound) provide a natural choice to study microstructure mediated mechanical properties. In this presentation we use laser ultrasound to probe mechanical properties of materials. This approach utilizes lasers to excite and detect ultrasonic waves, and as a consequence has unique advantages over other methods—it is noncontacting, requires no couplant or invasive sample preparation (other than that used in metallurgical analysis), and has the demonstrated capability to probe microstructure on a micron scale. Laser techniques are highly reproducible enabling sophisticated, microstructurally informed data analysis. Since light is being used for generation and detection of the ultrasonic wave, the specimen being examined is not mechanically coupled to the transducer. As a result, laser ultrasound can be carried out remotely, an especially attractive characteristic for in situ measurements in severe environments. Several examples involving laser ultrasound to measure mechanical properties in high temperature environments will be presented. Emphasis will be place on understanding the role of grain microstructure.

  3. Elevated Temperature Compressive Properties of Zr-Modified Nial

    NASA Technical Reports Server (NTRS)

    Whittenberger, J. Daniel; Noebe, R. D.

    1996-01-01

    Small Zr additions are known to substantially affect the deformation behavior and strength of polycrystalline NiAl, yet little information is currently available regarding the high-temperature properties of such alloys. Utilizing prealloyed powder technology, a series of four NiAl alloys have been produced containing from 0.05 to 0.7 at. pct Zr. The creep behavior of these alloys was characterized in compression between 1000 and 1400 K at strain rates ranging from approx. O.1 to 10(exp -9)/ sec. All the Zr-modified alloys were significantly stronger than binary NiAl under lower temperature and faster strain-rate conditions; however, the single-phase materials (Zr less than or equal to 0.1 at. pct) and binary NiAl had similar strengths at high temperatures and slow strain rates. The two-phase NiAl-Ni, AlZr alloys containing 0.3 and 0.7 at. pct Zr had nearly identical strengths. While the two-phase alloys were stronger than the single-phase materials at all test conditions, the degree of microstructural damage in the two-phase alloys due to internal oxidation during testing appeared to increase with Zr level. Balancing the poor oxidation behavior with the consistent strength advantage of the two-phase alloys, it is concluded that optimum elevated-temperature properties could be obtained in Heusler-strengthened NiAl containing between 0.1 and 0.3 at. pct Zr.

  4. The Measurement of Temperature Gradients in a Soft Tissue Phantom using PVDF arrays: A Simulation Case Using the Finite Element Method (FEM)

    NASA Astrophysics Data System (ADS)

    Acevedo, Pedro; Vázquez, Mónica; Durán, Joel; Petrearce, Rodolfo

    A simulation case is presented using the Finite Element Method (FEM) to simulate the performance of PVDF arrays to measure temperature gradients through the determination of phase shifts, i.e. time shifts of the waveform of the echo due to a change in the speed of propagation of ultrasound as a result of a change in temperature, they can be interpreted as phase shifts in the frequency domain. Making it possible to determine the change in temperature from the phase shifts; in a medium of propagation previously characterized.

  5. Finite difference time domain modeling of dispersion from heterogeneous ground properties in ground penetrating radar

    NASA Astrophysics Data System (ADS)

    Holt, Jennifer Jane

    Ground Penetrating Radar (GPR) is a common technique for locating buried objects in the near surface. The near surface is never perfectly homogeneous due to different moisture levels, grain packing, and types of material that influence the properties in the subsurface. This dissertation examines the influence of heterogeneity on GPR measurements, its influence on spatial dispersion, and defining the GPR response from a range of standard deviations of different numerical models. Most modeling in GPR concentrates on antenna patterns or dispersion caused by complex permittivity in homogeneous blocks of material. The forward model developed in this dissertation incorporates heterogeneity by replacing the traditional homogenous spatial regions with a distribution of physical properties. The models in this dissertation maintain the major spatial model boundaries, but the physical model values within each boundary are determined by a statistical distribution. Statistical approximations of heterogeneity of the physical property distributions can provide an approximation of the geologic noise that influences GPR measurements. This dissertation presents a numerical modeling analysis of random property variation, where the variations occur in one, two, and three directions. The models are developed for a half space and a two layered earth model where the input is a Ricker wavelet. Most of the visible spatial dispersion of the electrical field in both the half space and the layered earth models studied in this dissertation, occurred in the near region of the electromagnetic field. However, the largest average dispersion occurred in the far field at 1.0 m distance from a dipole source. The presence of horizontal layers increased the dispersive effects of the random distribution of electrical property values. There was also a measurable change in the dispersed field when the layers were vertical. There was more change with thin horizontal layers than with tubes or three

  6. On improving the iterative convergence properties of an implicit approximate-factorization finite difference algorithm. [considering transonic flow

    NASA Technical Reports Server (NTRS)

    Desideri, J. A.; Steger, J. L.; Tannehill, J. C.

    1978-01-01

    The iterative convergence properties of an approximate-factorization implicit finite-difference algorithm are analyzed both theoretically and numerically. Modifications to the base algorithm were made to remove the inconsistency in the original implementation of artificial dissipation. In this way, the steady-state solution became independent of the time-step, and much larger time-steps can be used stably. To accelerate the iterative convergence, large time-steps and a cyclic sequence of time-steps were used. For a model transonic flow problem governed by the Euler equations, convergence was achieved with 10 times fewer time-steps using the modified differencing scheme. A particular form of instability due to variable coefficients is also analyzed.

  7. Relationships between conversion, temperature and optical properties during composite photopolymerization.

    PubMed

    Howard, Benjamin; Wilson, Nicholas D; Newman, Sheldon M; Pfeifer, Carmem S; Stansbury, Jeffrey W

    2010-06-01

    Optical properties of composite restoratives, both cured and uncured, are of obvious importance in a procedure reliant on photoactivation, since they may affect light transmission and therefore materials conversion upon which mechanical properties and ultimate clinical performance are dependent. The objective of the present study was to evaluate simultaneous, real-time conversion, and the development of the temperature and optical properties. The dimethacrylate resin (Bis-GMA/TEGDMA 70/30mass%) was prepared at three filler loading (0, 35 or 70mass%: no fill, low and high fill, respectively) combined with three initiator concentrations (CQ/EDMAB: 0/0, 0.2/0.8 or 1.0/1.6mass%). Specimens were exposed to either low (50mWcm(-2)) or high (500mWcm(-2)) irradiance. Simultaneous conversion (near-IR peak area), temperature (thermocouple) and visible light transmission (UV-vis spectroscopy) measurements were conducted throughout the polymerization process. The refractive index of the resin rises linearly with conversion (r(2)=0.976), producing a refractive index match between resin/filler at approximately 58% conversion in these materials. The percentage increase in light transmission during conversion was greater for increasing filler levels. Higher CQ content led to maximum light transmission at slightly higher levels of conversion (60-65% and 50-55% for the high and low filled materials, respectively). The broad distribution of filler concentrations allows for the clinically relevant generalization that highly filled composites not only jeopardize absolute light transmission, conversion and depth of cure, but also demonstrate the complex interrelationship that exists between materials, processing conditions and the optical properties of dental composites.

  8. Relationships between Conversion, Temperature and Optical Properties during Composite Photopolymerization

    PubMed Central

    Howard, Benjamin; Wilson, Nicholas D.; Newman, Sheldon M.; Pfeifer, Carmem S.; Stansbury, Jeffrey W.

    2009-01-01

    Optical properties of composite restoratives, both cured and uncured, are of obvious importance in a procedure reliant on photoactivation, since they may affect light transmission and therefore, materials conversion upon which mechanical properties and ultimate clinical performance are dependent. The objective of the present study was to evaluate simultaneous, real-time conversion, temperature and optical properties development. The dimethacrylate resin (BisGMA / TEGDMA 70/30 mass %) was prepared at three filler loading (0, 35 or 70 mass % - no fill, low and high fill, respectively) combined with three initiator concentrations (CQ/EDMAB: 0/0, 0.2/0.8 or 1.0/1.6 mass %). Specimens were exposed to either low (50 mW/cm2) or high (500 mW/cm2) irradiance. Simultaneous conversion (near-IR peak area), temperature (thermocouple) and visible light transmission (UV-Vis spectroscopy) measurements were conducted throughout the polymerization process. The refractive index of the resin rises linearly with conversion (r2 = 0.976), producing a refractive index match between resin/filler at approximately 58 % conversion in these materials. The percentage increase in light transmission during conversion was greater for increasing filler levels. Higher CQ content led to maximum light transmission at slightly higher levels of conversion (60-65 and 50-55 % for the high and low filled materials, respectively). The broad distribution of filler concentrations allows for the clinically relevant generalization that highly filled composites not only jeopardize absolute light transmission, conversion and depth of cure, but also demonstrates the complex interrelationship that exists between materials, processing conditions and the optical properties of dental composites. PMID:19913646

  9. Robust adaptive integrated translation and rotation finite-time control of a rigid spacecraft with actuator misalignment and unknown mass property

    NASA Astrophysics Data System (ADS)

    Zhang, Feng; Duan, Guang-Ren

    2014-05-01

    This paper tackles the problem of integrated translation and rotation finite-time control of a rigid spacecraft with actuator misalignment and unknown mass property. Due to the system natural couplings, the coupled translational and rotational dynamics of the spacecraft is developed, where a thruster configuration with installation misalignment and unknown mass property are taken into account. By solving an equivalent designated trajectory tracking problem via backstepping philosophy, a robust adaptive integrated finite-time control scheme is proposed to enable the spacecraft track command position and attitude in a pre-determined time, despite of external disturbance, unknown mass property and thruster misalignment. The finite-time closed-loop stability is guaranteed within the Lyapunov framework. Two scenario numerical simulations demonstrate the effect of the designed controller.

  10. Harmonic Models in Cartesian and Internal Coordinates to Simulate the Absorption Spectra of Carotenoids at Finite Temperatures.

    PubMed

    Cerezo, Javier; Zúñiga, José; Requena, Alberto; Ávila Ferrer, Francisco J; Santoro, Fabrizio

    2013-11-12

    When large structural displacements take place between the ground state (GS) and excited state (ES) minima of polyatomic molecules, the choice of a proper set of coordinates can be crucial for a reliable simulation of the vibrationally resolved absorption spectrum. In this work, we study two carotenoids that undergo structural displacements from GS to ES minima of different magnitude, from small displacements for violaxanthin to rather large ones for β-carotene isomers. Their finite-temperature (77 and 300 K) spectra are simulated at the harmonic level, including Duschinsky effect, by time-dependent (TD) and time-independent (TI) approaches, using (TD)DFT computed potential energy surfaces (PES). We adopted two approaches to construct the harmonic PES, the Adiabatic (AH) and Vertical Hessian (VH) models and, for AH, two reference coordinate frames: Cartesian and valence internal coordinates. Our results show that when large displacements take place, Cartesian coordinates dramatically fail to describe curvilinear displacements and to account for the Duschinsky matrix, preventing a realistic simulation of the spectra within the AH model, where the GS and ES PESs are quadratically expanded around their own equilibrium geometry. In contrast, internal coordinates largely amend such deficiencies and deliver reasonable spectral widths. As expected, both coordinate frames give similar results when small displacements occur. The good agreement between VH and experimental line shapes indicates that VH model, in which GS and ES normal modes are both evaluated at the GS equilibrium geometry, is a good alternative to deal with systems exhibiting large displacements. The use of this model can be, however, problematic when imaginary frequencies arise. The extent of the nonorthogonality of the Dushinsky matrix in internal coordinates and its correlation with the magnitude of the displacement of the GS and ES geometries is analyzed in detail.

  11. Investigations of α-helix↔β-sheet transition pathways in a miniprotein using the finite-temperature string method

    SciTech Connect

    Ovchinnikov, Victor; Karplus, Martin

    2014-05-07

    A parallel implementation of the finite-temperature string method is described, which takes into account the invariance of coordinates with respect to rigid-body motions. The method is applied to the complex α-helix↔β-sheet transition in a β-hairpin miniprotein in implicit solvent, which exhibits much of the complexity of conformational changes in proteins. Two transition paths are considered, one derived from a linear interpolant between the endpoint structures and the other derived from a targeted dynamics simulation. Two methods for computing the conformational free energy (FE) along the string are compared, a restrained method, and a tessellation method introduced by E. Vanden-Eijnden and M. Venturoli [J. Chem. Phys. 130, 194103 (2009)]. It is found that obtaining meaningful free energy profiles using the present atom-based coordinates requires restricting sampling to a vicinity of the converged path, where the hyperplanar approximation to the isocommittor surface is sufficiently accurate. This sampling restriction can be easily achieved using restraints or constraints. The endpoint FE differences computed from the FE profiles are validated by comparison with previous calculations using a path-independent confinement method. The FE profiles are decomposed into the enthalpic and entropic contributions, and it is shown that the entropy difference contribution can be as large as 10 kcal/mol for intermediate regions along the path, compared to 15–20 kcal/mol for the enthalpy contribution. This result demonstrates that enthalpic barriers for transitions are offset by entropic contributions arising from the existence of different paths across a barrier. The possibility of using systematically coarse-grained representations of amino acids, in the spirit of multiple interaction site residue models, is proposed as a means to avoid ad hoc sampling restrictions to narrow transition tubes.

  12. Investigations of α-helix↔β-sheet transition pathways in a miniprotein using the finite-temperature string method

    PubMed Central

    Ovchinnikov, Victor; Karplus, Martin

    2014-01-01

    A parallel implementation of the finite-temperature string method is described, which takes into account the invariance of coordinates with respect to rigid-body motions. The method is applied to the complex α-helix↔β-sheet transition in a β-hairpin miniprotein in implicit solvent, which exhibits much of the complexity of conformational changes in proteins. Two transition paths are considered, one derived from a linear interpolant between the endpoint structures and the other derived from a targeted dynamics simulation. Two methods for computing the conformational free energy (FE) along the string are compared, a restrained method, and a tessellation method introduced by E. Vanden-Eijnden and M. Venturoli [J. Chem. Phys. 130, 194103 (2009)]. It is found that obtaining meaningful free energy profiles using the present atom-based coordinates requires restricting sampling to a vicinity of the converged path, where the hyperplanar approximation to the isocommittor surface is sufficiently accurate. This sampling restriction can be easily achieved using restraints or constraints. The endpoint FE differences computed from the FE profiles are validated by comparison with previous calculations using a path-independent confinement method. The FE profiles are decomposed into the enthalpic and entropic contributions, and it is shown that the entropy difference contribution can be as large as 10 kcal/mol for intermediate regions along the path, compared to 15–20 kcal/mol for the enthalpy contribution. This result demonstrates that enthalpic barriers for transitions are offset by entropic contributions arising from the existence of different paths across a barrier. The possibility of using systematically coarse-grained representations of amino acids, in the spirit of multiple interaction site residue models, is proposed as a means to avoid ad hoc sampling restrictions to narrow transition tubes. PMID:24811667

  13. Walker Diffusion Method for Calculation of Transport Properties of Finite Composite Systems

    SciTech Connect

    Van Siclen, Clinton D

    2002-01-01

    A heterogeneous medium may be represented by a scalar field of local transport coefficients (e.g., conductivity) or by a “resistor network” derived from that scalar field. In either case the effective (macroscopic) and local (microscopic) transport properties may be calculated by the walker diffusion method. Some sample calculations for disordered systems are presented to demonstrate the method.

  14. High temperature properties of HFPE-II-52 polyimide resin and composites

    NASA Astrophysics Data System (ADS)

    Bhargava, Peeyush

    Polyimides and polyimide matrix composites have been used for various high temperature applications and have recently been proposed for use as secondary structures in high temperature aerospace applications. Motivated by the potential use of the polyimide/polyimide matrix composites, this work focuses on characterizing high temperature behavior of the polyimide and polyimide composites. In particular, this thesis covers a diverse set of experiments performed to characterize HFPE-II-52, a polyimide developed at NASA Glenn Research Center, and to characterize composite laminates of the polyimide and T650/35 carbon fibers. Steam induced delamination, blistering, swelling, plasticization and residual stresses are some of the common problems associated with moisture absorption in polyimides and polyimide matrix composites. Motivated by this, experiments were performed to determine the moisture diffusion properties of the polyimide. The experiments include determining the moisture diffusivity, equilibrium moisture absorption and swelling strains for the polyimide. Moisture diffusivity was determined over the temperature range of 25--200°C using weight loss and weight gain experiments. Sample size restrictions as proposed by ASTM standard were relaxed and diffusivity was determined by fitting a 3-D solution to the experimental data. Equilibrium weight gain was determined as a function of relative humidity and the validity of several models such as GAB equation, Henry's law and Flory-Huggins equation were evaluated. Swelling behavior of the polyimide in presence of water was determined and an estimate of free volume was obtained. A difficult to determine, but important property is the shear strength of composites. Shear strength of unidirectional polyimide composite was determined using an Iosipescu specimen. The design of the Iosipescu specimen was obtained using finite element analysis. A simple and easily fabricated fixture was devised to perform the shear tests. The

  15. Reweighting of charge occupation in charge stability diagrams due to finite temperature effect and asymmetric tunnel rates in a silicon MOS double quantum dot

    NASA Astrophysics Data System (ADS)

    Nguyen, Khoi; Lilly, Michael; Bishop, Nathaniel; Nielsen, Erik; Rahman, Rajib; Wendt, Joel; Dominguez, Jason; Pluym, Tammy; Stevens, Jeff; Ten Eyck, Greg; Carroll, Malcolm

    2013-03-01

    The combination of asymmetric tunnel rates and finite temperature can shift the average charge occupation within a double quantum dot (DQD) stability diagram. DQD charge sensing shows the transitions in electron occupation dependence on gate bias. Applied source-drain bias further introduces shifts in the charge transition lines including the formation of bias triangles. In some material systems, tunnel barrier uniformity can be difficult to achieve. Asymmetry in tunnel barriers can lead to vanishingly small transitions in regions. Finite temperature effects with asymmetric barriers further leads to kinks in the stability diagram. In this talk we present measurements of DQDs with asymmetric barriers and compare them to simulation of stability diagrams using a capacitance network including the rate equation and temperature dependent tunneling. The model provides quantitative insight about finite temperature effects as well as the vanishing charge transition lines that is not readily available in the literature. 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 NNSA under contract DE-AC04-94AL85000.

  16. Viscoelastic properties of the human tympanic membrane studied with stroboscopic holography and finite element modeling.

    PubMed

    De Greef, Daniel; Aernouts, Jef; Aerts, Johan; Cheng, Jeffrey Tao; Horwitz, Rachelle; Rosowski, John J; Dirckx, Joris J J

    2014-06-01

    A new anatomically-accurate Finite Element (FE) model of the tympanic membrane (TM) and malleus was combined with measurements of the sound-induced motion of the TM surface and the bony manubrium, in an isolated TM-malleus preparation. Using the results, we were able to address two issues related to how sound is coupled to the ossicular chain: (i) Estimate the viscous damping within the tympanic membrane itself, the presence of which may help smooth the broadband response of a potentially highly resonant TM, and (ii) Investigate the function of a peculiar feature of human middle-ear anatomy, the thin mucosal epithelial fold that couples the mid part of the human manubrium to the TM. Sound induced motions of the surface of ex vivo human eardrums and mallei were measured with stroboscopic holography, which yields maps of the amplitude and phase of the displacement of the entire membrane surface at selected frequencies. The results of these measurements were similar, but not identical to measurements made in intact ears. The holography measurements were complemented by laser-Doppler vibrometer measurements of sound-induced umbo velocity, which were made with fine-frequency resolution. Comparisons of these measurements to predictions from a new anatomically accurate FE model with varied membrane characteristics suggest the TM contains viscous elements, which provide relatively low damping, and that the epithelial fold that connects the central section of the human manubrium to the TM only loosely couples the TM to the manubrium. The laser-Doppler measurements in two preparations also suggested the presence of significant variation in the complex modulus of the TM between specimens. Some animations illustrating the model results are available at our website (www.uantwerp.be/en/rg/bimef/downloads/tympanic-membrane-motion).

  17. Linking membrane physical properties and low temperature tolerance in arthropods.

    PubMed

    Waagner, Dorthe; Bouvrais, Hélène; Ipsen, John H; Holmstrup, Martin

    2013-12-01

    Maintenance of membrane fluidity is of crucial importance in ectotherms experiencing thermal changes. This maintenance has in ectotherms most often been indicated using indirect measures of biochemical changes of phospholipid membranes, which is then assumed to modulate the physico-chemical properties of the membrane. Here, we measure bending rigidity characterizing the membrane flexibility of re-constituted membrane vesicles to provide a more direct link between membrane physical characteristics and low temperature tolerance. Bending rigidity of lipid bilayers was measured in vitro using Giant Unilamellar Vesicles formed from phospholipid extracts of the springtail, Folsomia candida. The bending rigidity of these membranes decreased when exposed to 0.4 vol% ethanol (0.23 mM/L). Springtails exposed to ethanol for 24h significantly increased their cold shock tolerance. Thus, by chemically inducing decreased membrane rigidity, we have shown a direct link between the physico-chemical properties of the membranes and the capacity to tolerate low temperature in a chill-susceptible arthropod. PMID:24080490

  18. Linking membrane physical properties and low temperature tolerance in arthropods.

    PubMed

    Waagner, Dorthe; Bouvrais, Hélène; Ipsen, John H; Holmstrup, Martin

    2013-12-01

    Maintenance of membrane fluidity is of crucial importance in ectotherms experiencing thermal changes. This maintenance has in ectotherms most often been indicated using indirect measures of biochemical changes of phospholipid membranes, which is then assumed to modulate the physico-chemical properties of the membrane. Here, we measure bending rigidity characterizing the membrane flexibility of re-constituted membrane vesicles to provide a more direct link between membrane physical characteristics and low temperature tolerance. Bending rigidity of lipid bilayers was measured in vitro using Giant Unilamellar Vesicles formed from phospholipid extracts of the springtail, Folsomia candida. The bending rigidity of these membranes decreased when exposed to 0.4 vol% ethanol (0.23 mM/L). Springtails exposed to ethanol for 24h significantly increased their cold shock tolerance. Thus, by chemically inducing decreased membrane rigidity, we have shown a direct link between the physico-chemical properties of the membranes and the capacity to tolerate low temperature in a chill-susceptible arthropod.

  19. Scattering Properties and Brightness Temperatures Associated with Solid Precipitation

    NASA Technical Reports Server (NTRS)

    Skofronick-Jackson, Gail M.; Kim, Min-Jeong

    2005-01-01

    In the past few years, early solid precipitation detection and retrieval algorithms have been developed and shown to be applicable for snowing clouds and blizzards. NOAA has an operational snow versus rain classifier based on AMSU-B observations. Solid precipitation retrieval algorithms reported in the literature over the past two years include those that rely on neural nets, statistics, or physical relationships. All of the algorithms require the use of millimeter-wave radiometer observations. The millimeter-wave frequencies are especially sensitive to the scattering and emission properties of frozen particles due to the ice particle refractive index. Passive radiometric channels respond to both the integrated particle mass throughout the volume and field of view, and to the amount, location, and size distribution of the frozen (and liquid) particles with the sensitivity varying for different frequencies and hydrometeor types. This investigation probes the sensitivity of scattering and absorption coefficients, and hence computed brightness temperatures, resulting from variations in solid precipitation cloud profiles. The first study compares the single scattering, absorption, and asymmetry parameters associated with snow particles in clouds. Several methodologies are used to convert the physical characteristics (e.g., shape, size distributions, ice-air-water ratios) of ice particles to electromagnetic properties (e.g., absorption, scattering, and asymmetry factors). These methodologies include: conversion to solid ice particles, homogeneous dielectric mixing, or discrete dipole approximation. Changes in the conversion methodology can produce computed brightness temperature differences greater than 50 Kelvin.

  20. Low temperature property of Metaphosphatecopper(II/I) salt

    NASA Astrophysics Data System (ADS)

    Swain, Trilochan; Brahma, Gouri Sankhar

    2016-04-01

    An inorganically template metaphosphoric acid containing copper salt, nanomaterial, has been synthesized and characterized with different measurement techniques such as Differential Scanning Calorimeter (DSC), UV-Vis-NIR, HRTEM, VSM, PPMS and X-RD. The thermal property of this salt has been studied at a low temperature up to 223 K from 298 K with DSC. The specific heat capacity of this complex has been measured in atmospheric O2 at a rate of 10 K min-1 from 298 K to 223 K and vice versa in two thermal cycles. The net specific heat capacity of this salt is found -88.28 J/gm.K and - 86.56 J/gm.K in first and second thermal cycles, respectively. There is a discontinuity in the specific heat at 106 s while measuring the specific heat capacity of the above nanomaterial at constant temperature 283 K. This particle size of this nanomaterial is ˜ 10 nm. The paramagnetic Curie temperature (θP) and Curie constant (C) are 18.29 K and 1.35x10-3 respectively. This material founds insulator from PPMS and UV-Vis-NIR measurements. So, it can be used as thermal interface material as a composite component with some organic polymers such as paraffin wax, ethylene-vinyl acetate etc.

  1. Spectral properties of gaseous uranium hexafluoride at high temperature

    NASA Technical Reports Server (NTRS)

    Krascella, N. L.

    1980-01-01

    A study to determine relative spectral emission and spectral absorption data for UF6-argon mixtures at elevated temperatures is discussed. These spectral data are required to assist in the theoretical analysis of radiation transport in the nuclear fuel-buffer gas region of a plasma core reactor. Relative emission measurements were made for UF6-argon mixtures over a range of temperatures from 650 to 1900 K and in the wavelength range from 600 to 5000 nanometers. All emission results were determined for a total pressure of 1.0 atm. Uranium hexafluoride partial pressures varied from about 3.5 to 12.7 mm Hg. Absorption measurements were attempted at 600, 625, 650 and 675 nanometers for a temperature of 1000 K. The uranium partial pressure for these determinations was 25 mm Hg. The results exhibit appreciable emission for hot UF6-argon mixtures at wavelengths between 600 and 1800 nanometers and no measurable absorption. The equipment used to evaluate the spectral properties of the UF6-argon mixtures included a plasma torch-optical plenum assembly, the monochromator, and the UF6 transfer system. Each is described.

  2. Time And Temperature Dependent Micromechanical Properties Of Solder Joints For 3D-Package Integration

    NASA Astrophysics Data System (ADS)

    Roellig, Mike; Meier, Karsten; Metasch, Rene

    2010-11-01

    The recent development of 3D-integrated electronic packages is characterized by the need to increase the diversity of functions and to miniaturize. Currently many 3D-integration concepts are being developed and all of them demand new materials, new designs and new processing technologies. The combination of simulation and experimental investigation becomes increasingly accepted since simulations help to shorten the R&D cycle time and reduce costs. Numerical calculations like the Finite-Element-Method are strong tools to calculate stress conditions in electronic packages resulting from thermal strains due to the manufacturing process and environmental loads. It is essential for the application of numerical calculations that the material data is accurate and describes sufficiently the physical behaviour. The developed machine allows the measurement of time and temperature dependent micromechanical properties of solder joints. Solder joints, which are used to mechanically and electrically connect different packages, are physically measured as they leave the process. This allows accounting for process influences, which may change material properties. Additionally, joint sizes and metallurgical interactions between solder and under bump metallization can be respected by this particular measurement. The measurement allows the determination of material properties within a temperature range of 20° C-200° C. Further, the time dependent creep deformation can be measured within a strain-rate range of 10-31/s-10-81/s. Solder alloys based on Sn-Ag/Sn-Ag-Cu with additionally impurities and joint sizes down to O/ 200 μm were investigated. To finish the material characterization process the material model coefficient were extracted by FEM-Simulation to increase the accuracy of data.

  3. Single and bilayer bismuthene: Stability at high temperature and mechanical and electronic properties

    NASA Astrophysics Data System (ADS)

    Aktürk, E.; Aktürk, O. Üzengi; Ciraci, S.

    2016-07-01

    Based on first-principles phonon and finite temperature molecular dynamics calculations including spin-orbit coupling, we showed that free-standing single-layer phases of bismuth, namely buckled honeycomb and asymmetric washboard structures named as bismuthene, are stable at high temperature. We studied the atomic structure, mechanical, and electronic properties of these single-layer bismuthene phases and their bilayers. The spin-orbit coupling is found to be crucial in determining lattice constants, phonon frequencies, band gaps, and cohesion. In particular, phonons of 3D hexagonal crystal, as well as those of single-layer bismuthene phases, are softened with spin orbit coupling. By going from 3D hexagonal crystal to free-standing single-layer structures, 2D hexagonal lattice is compressed and semimetal is transformed to semiconductor as a result of confinement effect. On the contrary, by going from single-layer to bilayer bismuthenes, the lattice is slightly expanded and fundamental band gaps are narrowed. Our results reveals that interlayer coupling in multilayer and 3D Bi crystal is crucial for topologically trivial to nontrivial and semimetal to semiconductor transitions.

  4. First-Principle Perturbative Computation of Phonon Properties of Insulators in Finite Electric Fields

    NASA Astrophysics Data System (ADS)

    Wang, Xinjie

    2005-03-01

    The methods of density-functional perturbation theory have been shown to provide a powerful tool for realistic calculations of lattice-vibrational, dielectric, elastic, and other response properties of crystals.ootnotetextS. Baroni et al., Rev. Mod. Phys. 73, 515 (2001). Recently, a total-energy method for insulators in nonzero electric fields was proposed.ootnotetextI. Souza, J. 'Iñiguez, and D. Vanderbilt, Phys. Rev. Lett. 89, 117602 (2002). However, the perturbative computation of phonon properties under a dc bias field has not previously been addressed. Here, we start from a variational total-energy functional with a field coupling term that represents the effect of the electric field on the crystal. The linear response of the field-polarized Bloch functions is obtained by minimizing the second-order derivative of the total-energy functional. Due to the presence of the electric field, the field-polarized Bloch functions at each k-point in the Brillouin zone are weakly coupled to those at the neighboring k-points. We implement the method in the ABINIT code and perform illustrative calculations of the phonon frequencies for III-V semicondutors.

  5. Temperature-dependent elastic properties of Ti{sub 1−x}Al{sub x}N alloys

    SciTech Connect

    Shulumba, Nina; Hellman, Olle; Rogström, Lina; Raza, Zamaan; Tasnádi, Ferenc; Odén, Magnus; Abrikosov, Igor A.

    2015-12-07

    Ti{sub 1−x}Al{sub x}N is a technologically important alloy that undergoes a process of high temperature age-hardening that is strongly influenced by its elastic properties. We have performed first principles calculations of the elastic constants and anisotropy using the symmetry imposed force constant temperature dependent effective potential method, which include lattice vibrations and therefore the effects of temperature, including thermal expansion and intrinsic anharmonicity. These are compared with in situ high temperature x-ray diffraction measurements of the lattice parameter. We show that anharmonic effects are crucial to the recovery of finite temperature elasticity. The effects of thermal expansion and intrinsic anharmonicity on the elastic constants are of the same order, and cannot be considered separately. Furthermore, the effect of thermal expansion on elastic constants is such that the volume change induced by zero point motion has a significant effect. For TiAlN, the elastic constants soften non-uniformly with temperature: C{sub 11} decreases substantially when the temperature increases for all compositions, resulting in an increased anisotropy. These findings suggest that an increased Al content and annealing at higher temperatures will result in a harder alloy.

  6. Low Temperature Carrier Transport Properties in Isotopically Controlled Germanium

    NASA Astrophysics Data System (ADS)

    Itoh, Kohei

    Investigations of electronic and optical properties of semiconductors often require specimens with extremely homogeneous dopant distributions and precisely controlled net-carrier concentrations and compensation ratios. The previous difficulties in fabricating such samples are overcome as reported in this thesis by growing high-purity Ge single crystals of controlled ^{74}Ge and ^{70}Ge isotopic compositions, and doping these crystals by the neutron transmutation doping (NTD) technique. The resulting net-impurity concentrations and the compensation ratios are precisely determined by the thermal neutron fluence and the (^{74 }Ge) / (^{70}Ge) ratios of the starting Ge materials, respectively. This method also guarantees unprecedented doping uniformity. Using such samples we have conducted four types of electron (hole) transport studies probing the nature of (1) free carrier scattering by neutral impurities, (2) free carrier scattering by ionized impurities, (3) low temperature hopping conduction, and (4) free carrier transport in samples close to the metal-insulator transition. We have also performed infrared absorption spectroscopy studies of compensated Ge samples, investigating the line broadening mechanism due to random electric fields arising from ionized impurity centers. In the study of neutral impurity scattering, we find excellent agreement between the low temperature experimental mobility and phase shift calculations for the hydrogen atom scaled to shallow impurities in semiconductors. In the ionized impurity scattering study, none of the theories we have tested so far explains our low temperature experimental mobilities in highly compensated Ge (K>0.3). We discuss possible problems associated with the theories, in particular, the treatment of the screening mechanism. In the study of low temperature hopping conduction, we show results of temperature dependent resistivity measurements as a function of both the net-carrier concentration and the compensation

  7. Modeling Upper Airway Collapse by a Finite Element Model with Regional Tissue Properties

    PubMed Central

    Xu, Chun; Brennick, Michael J.; Dougherty, Lawrence; Wootton, David M.

    2009-01-01

    This study presents a new computational system for modeling the upper airway in rats that combines tagged magnetic resonance imaging (MRI) with tissue material properties to predict three-dimensional (3D) airway motion. The model is capable of predicting airway wall and tissue deformation under airway pressure loading up to airway collapse. The model demonstrates that oropharynx collapse pressure depends primarily on ventral wall (tongue muscle) elastic modulus and airway architecture. An iterative approach that involves substituting alternative possible tissue elastic moduli was used to improve model precision. The proposed 3D model accounts for stress-strain relationships in the complex upper airway that should present new opportunities for understanding pathogenesis of airway collapse, improving diagnosis and developing treatments. PMID:19747871

  8. Gas sensing properties of nanocrystalline diamond at room temperature

    PubMed Central

    Kulha, Pavel; Laposa, Alexandr; Hruska, Karel; Demo, Pavel; Kromka, Alexander

    2014-01-01

    Summary This study describes an integrated NH3 sensor based on a hydrogenated nanocrystalline diamond (NCD)-sensitive layer coated on an interdigitated electrode structure. The gas sensing properties of the sensor structure were examined using a reducing gas (NH3) at room temperature and were found to be dependent on the electrode arrangement. A pronounced response of the sensor, which was comprised of dense electrode arrays (of 50 µm separation distance), was observed. The sensor functionality was explained by the surface transfer doping effect. Moreover, the three-dimensional model of the current density distribution of the hydrogenated NCD describes the transient flow of electrons between interdigitated electrodes and the hydrogenated NCD surface, that is, the formation of a closed current loop. PMID:25551062

  9. Low temperature carrier transport properties in isotopically controlled germanium

    SciTech Connect

    Itoh, K.

    1994-12-01

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

  10. Abnormal Bone Mechanical and Structural Properties in Adolescent Idiopathic Scoliosis: A Study with Finite Element Analysis and Structural Model Index.

    PubMed

    Cheuk, K Y; Zhu, T Y; Yu, F W P; Hung, V W Y; Lee, K M; Qin, L; Cheng, J C Y; Lam, T P

    2015-10-01

    Previous studies found adolescent idiopathic scoliosis (AIS) is associated with low bone mineral density (BMD) and abnormal bone quality, whilst the association between AIS and their bone strength is unknown. From high-resolution peripheral quantitative computed tomography-generated images, bone mechanical properties can be evaluated with finite element analysis (FEA), and trabecular rod-plate configuration related to trabecular bone strength can be quantified by structure model index (SMI). This study aimed to compare trabecular configuration and bone mechanical properties between AIS and the controls. 95 AIS girls aged 12-14 years and 97 age- and gender-matched normal controls were recruited. Bilateral femoral necks and non-dominant distal radius were scanned by dual-energy X-ray absorptiometry for areal BMD and HR-pQCT for SMI and FEA, respectively. Subjects were further classified into osteopenic and non-osteopenic group based on their areal BMD. Bone mechanical properties (stiffness, failure load and apparent modulus) were calculated using FEA. Linear regression model was used for controlling age, physical activity and calcium intake. AIS was associated with lower failure load and apparent modulus after adjusting for age, whereas AIS was associated with lower apparent modulus after adjusting for all confounders. Osteopenic AIS was associated with more rod-like trabeculae when compared with non-osteopenic AIS, whereas no difference was detected between osteopenic and non-osteopenic controls. This might be the result of abnormal regulation and modulation of bone metabolism and bone modelling and remodelling in AIS which will warrant future studies with a longitudinal design to determine the significance of micro-architectural abnormalities in AIS.

  11. The impact of hierarchically constrained dynamics with a finite mean of cluster sizes on relaxation properties

    SciTech Connect

    Weron, Karina; Jurlewicz, Agnieszka; Patyk, Michał; Stanislavsky, Aleksander

    2013-05-15

    In this paper, a stochastic scenario of relaxation underlying the generalization (Kahlau et al., 2010) [15] of the Cole–Davidson (CD) and Kohlrausch–Williams–Watts (KWW) functions is proposed. As it has been shown (Kahlau et al., 2010) [15], the new three-parameter time-domain fitting function provides a very flexible description of the dielectric spectroscopy data for viscous glass-forming liquids. In relation to that result we discuss a hierarchically-constrained model yielding the proposed relaxation fitting function. Within the “exponentially decaying relaxation contributions” framework we show origins of the high-frequency (short-time, respectively) fractional power law, i.e., the characteristic feature of the new, as well as, of both CD and KWW response functions. We also bring into light a reason for which their common behavior in the opposite frequency limit is linear on external field frequency. Finally, we relate the new relaxation pattern (Kahlau et al., 2010) [15] with the Generalized Gamma (GG) survival probability of an imposed, non-equilibrium initial state in a relaxing system. -- Highlights: ► Combine the empirical Kohlrausch–Williams–Watts and Cole–Davidson laws of relaxation. ► Establish a microscopic stochastic scenario explaining the generalized law. ► Derive a frequency-domain relaxation function fitting the dielectric spectroscopy data. ► Find the low- and high-frequency properties for the relaxation pattern.

  12. Ulta-Low Temperature Properties of Amorphous and Glassy Materials

    SciTech Connect

    Douglas D. Osheroff

    2013-01-10

    During the grant period we made detailed studies of the dynamics of two level tunneling systems in glasses at very low temperature and by the application of AC and DC electric fields. Models have been developed that now account for both the formation and subsequent breaking of resonant tunneling pairs, and strongly bound pairs in a swept electric field. Perhaps most importantly, we saw a critical field in the polymeric glass Mylar, beyond which recovery following the application of a strong electric field is substantially modified from the predictions of current models. It was essential during the final grant period to see how general these new properties were by testing for them in a new and broader set of glasses. At the same time, the discovery that tunneling systems with nuclei possessing electric quadrupole moments that couple the TS behavior to magnetic fields was studied in this laboratory, using some of the probes that we alone employ. Finally, we were developing our own dielectric pulsed echo system, operating for the first time at the low energy splittings and hence temperatures at which interactions between TS are important. We combined this technique with the sudden application of both electric and strain fields to better understand the dynamics of the response of TS in glasses on a much shorter time scale than is possible with our established probes.

  13. Chemical and Thermodynamic Properties at High Temperatures: A Symposium

    NASA Technical Reports Server (NTRS)

    Walker, Raymond F.

    1961-01-01

    This book contains the program and all available abstracts of the 90' invited and contributed papers to be presented at the TUPAC Symposium on Chemical and Thermodynamic Properties at High Temperatures. The Symposium will be held in conjunction with the XVIIIth IUPAC Congress, Montreal, August 6 - 12, 1961. It has been organized, by the Subcommissions on Condensed States and on Gaseous States of the Commission on High Temperatures and Refractories and by the Subcommission on Experimental Thermodynamics of the Commission on Chemical Thermodynamics, acting in conjunction with the Organizing Committee of the IUPAC Congress. All inquiries concerning participation In the Symposium should be directed to: Secretary, XVIIIth International Congress of Pure and Applied Chemistry, National Research Council, Ottawa, 'Canada. Owing to the limited time and facilities available for the preparation and printing of the book, it has not been possible to refer the proofs of the abstracts to the authors for checking. Furthermore, it has not been possible to subject the manuscripts to a very thorough editorial examination. Some obvious errors in the manuscripts have been corrected; other errors undoubtedly have been introduced. Figures have been redrawn only when such a step was essential for reproduction purposes. Sincere apologies are offered to authors and readers for any errors which remain; however, in the circumstances neither the IUPAC Commissions who organized the Symposium, nor the U. S. Government Agencies who assisted in the preparation of this book can accept responsibility for the errors.

  14. Temperature dependence of the electrical properties of hydrogen titanate nanotubes

    SciTech Connect

    Alves, Diego C. B.; Brandão, Frederico D.; Krambrock, Klaus; Ferlauto, Andre S.; Fonseca, Fabio C.

    2014-11-14

    The temperature dependence of the electrical properties of hydrogen-rich titanate nanotubes (H-TNTs) in the 90–270 °C range was investigated by impedance spectroscopy. Three types of dominant conduction were found which depend on the previous thermal treatment of the samples. For untreated samples, at low temperatures (T < 100 °C), electrical conductivity is relatively high (>10{sup −4} S/cm at T ≈ 90 °C) and is dominated by protonic transport within structural water molecules. For thermal annealing in inert atmosphere up to 150 °C, water molecules are released from the nanotube structure resulting in a dehydrated H{sub 2}Ti{sub 3}O{sub 7} phase. Such phase has a low, thermally-dependent, electrical conductivity (10{sup −8} S/cm at T ≈ 90 °C) with activation energy of 0.68 eV. For samples annealed up to 260 °C, loss of OH groups, and consequent generation of oxygen vacancies, occurs that result in the non-stoichiometric H{sub 2(1−z)}Ti{sub 3}O{sub 7−z} phase. This phase has much higher conductivity (10{sup −5} S/cm at T ≈ 90 °C) and lower associated activation energy (0.40 eV). The generation of oxygen vacancies is confirmed by electron paramagnetic resonance measurements at room temperature, which revealed the presence of single-electron-trapped oxygen vacancies. The activation energy value found is consistent with the thermal ionization energy of the oxygen vacancies. Such defect formation represents the initial stage of the phase transformation from titanate to TiO{sub 2} (B). X-ray diffraction and Raman spectroscopy measurements also support such interpretation.

  15. Fatigue properties of unidirectional carbon fibre composites at cryogenic temperatures

    NASA Astrophysics Data System (ADS)

    Pannkoke, K.; Wagner, H.-J.

    Design engineers working with composite materials are still confronted with uncertainties as to their fatigue behaviour, especially for cryogenic applications. In the course of cooling, different thermal contraction of the fibre and matrix gives rise to thermal stresses and strains which influence most of the mechanical properties. In this paper, the fatigue behaviour of unidirectional (UD) composites with different fibres and matrices will be described. A first step in understanding the failure mechanism under cyclic loading will be presented. In earlier tests excellent fatigue properties were found for carbon fibre UD composites made of T300 carbon fibres and an epoxy matrix 1,2. However, the applied epoxy resin was brittle, especially at low temperatures. Therefore the brittle resin was substituted by polycarbonate (PC), a tough thermoplastic polymer 3,4. Nevertheless, for a composite with that matrix the fatigue endurance limit, normalized to the static strength, was found to be much lower (43%). SEM studies illustrated a poor fibre - matrix bond. To determine the bond's influence on fatigue properties, another tough matrix system was tested. The polymer PEEK is known to build a strong bond to carbon fibres, initiated by crystal growth onto the fibre surface 4,5. However, investigations on the fatigue behaviour of this composite at 77 K yielded the same low fatigue endurance limit as was found for the carbon fibre - PC system 4. At this point it can be concluded that the poor fatigue behaviour is not necessarily due to a strong or poor fibre - matrix bond. It is the purpose of this work to examine whether this different fatigue behaviour is due to matrix failure.

  16. Physical and Material Properties of Yttrium Barium Copper Oxide High Critical Temperature Superconducting Thin Films.

    NASA Astrophysics Data System (ADS)

    Ma, Qiyuan

    1990-01-01

    A simple method of using layered structures and rapid thermal annealing to produce Y_1 Ba_2 Cu_3 O_{7-x} (YBCO) superconducting thin films is presented. Material properties of the films depend strongly on the processing conditions, the film stoichiometry, and the substrates. The films with critical temperature (T_{ rm c}) higher than liquid nitrogen temperature (77 K) have been made on various substrates including magnesium oxide, sapphire, and silicon. The best film was obtained on a MgO substrate with T_{rm c} of 84 K. Silicon diffusion and reaction with oxygen during a high temperature anneal degrade the superconductivity of the film on a Si substrate. Using a buffer layer of gold, the Si-YBCO interaction is greatly reduced. Typical resistivity of the film shows a linear temperature dependence which may be attributed to an electron -phonon interaction. Anisotropic resistance behavior has been observed due to the layered structures. Different metal contacts to the YBCO films have been used to study the chemical and electrical properties of metal-YBCO film interfaces. Gold has been found nonreactive to YBCO film, thus, it has the lowest contact resistivity. Near the T_{rm c}, the contact resistivity of a Au-YBCO contact approaches zero. This may be due to the proximity effect. Other metals such as Pt, Pd, Sn and Ti, react with the YBCO film and form thin oxide layers at the interfaces. The oxide layer acts as an insulating barrier which forbids the proximity effect and causes a large contact resistivity. The structural and electrical properties of the Si-YBCO intermixed film have been studied for different thicknesses of the silicon layers. A novel patterning technique of using Si-YBCO intermixing has been developed for fabricating the YBCO superconducting device structures. A superconductor sample has a critical current value I _{rm c}. Below the I _{rm c} the material is superconducting, and above I_{rm c} the sample has a finite resistance. Based on this effect

  17. A neural network combined with a three-dimensional finite element method applied to optimize eddy current and temperature distributions of traveling wave induction heating system

    NASA Astrophysics Data System (ADS)

    Wang, Youhua; Wang, Junhua; Ho, S. L.; Pang, Lingling; Fu, W. N.

    2011-04-01

    In this paper, neural networks with a finite element method (FEM) were introduced to predict eddy current distributions on the continuously moving thin conducting strips in traveling wave induction heating (TWIH) equipments. A method that combines a neural network with a finite element method (FEM) is proposed to optimize eddy current distributions of TWIH heater. The trained network used for tested examples shows quite good accuracy of the prediction. The results have then been used with reference to a double-side TWIH in order to analyze the distributions of the magnetic field and eddy current intensity, which accelerates the iterative solution process for the nonlinear coupled electromagnetic matters. The FEM computation of temperature converged conspicuously faster using the prediction results as initial values than using the zero values, and the number of iterations is reduced dramatically. Simulation results demonstrate the effectiveness and characteristics of the proposed method.

  18. Nonlinear acoustic properties of ex vivo bovine liver and the effects of temperature and denaturation.

    PubMed

    Jackson, E J; Coussios, C-C; Cleveland, R O

    2014-06-21

    Thermal ablation by high intensity focused ultrasound (HIFU) has a great potential for the non-invasive treatment of solid tumours. Due to the high pressure amplitudes involved, nonlinear acoustic effects must be understood and the relevant medium property is the parameter of nonlinearity B/A. Here, B/A was measured in ex vivo bovine liver, over a heating/cooling cycle replicating temperatures reached during HIFU ablation, adapting a finite amplitude insertion technique, which also allowed for measurement of sound-speed and attenuation. The method measures the nonlinear progression of a plane wave through liver and B/A was chosen so that numerical simulations matched the measured waveforms. To create plane-wave conditions, sinusoidal bursts were transmitted by a 100 mm diameter 1.125 MHz unfocused transducer and measured using a 15 mm diameter 2.25 MHz broadband transducer in the near field. Attenuation and sound-speed were calculated using a reflected pulse from the smaller transducer using the larger transducer as the reflecting interface. Results showed that attenuation initially decreased with heating then increased after denaturation, the sound-speed initially increased with temperature and then decreased, and B/A showed an increase with temperature but no significant post-heating change. The B/A data disagree with other reports that show a significant change and we suggest that any nonlinear enhancement in the received ultrasound signal post-treatment is likely due to acoustic cavitation rather than changes in tissue nonlinearity.

  19. Finite-size corrections to scaling of the magnetization distribution in the two-dimensional X Y model at zero temperature

    NASA Astrophysics Data System (ADS)

    Palma, G.; Niedermayer, F.; Rácz, Z.; Riveros, A.; Zambrano, D.

    2016-08-01

    The zero-temperature, classical X Y model on an L ×L square lattice is studied by exploring the distribution ΦL(y ) of its centered and normalized magnetization y in the large-L limit. An integral representation of the cumulant generating function, known from earlier works, is used for the numerical evaluation of ΦL(y ) , and the limit distribution ΦL →∞(y ) =Φ0(y ) is obtained with high precision. The two leading finite-size corrections ΦL(y ) -Φ0(y ) ≈a1(L ) Φ1(y ) +a2(L ) Φ2(y ) are also extracted both from numerics and from analytic calculations. We find that the amplitude a1(L ) scales as ln(L /L0) /L2 and the shape correction function Φ1(y ) can be expressed through the low-order derivatives of the limit distribution, Φ1(y ) =[yΦ0(y ) +Φ0'(y ) ] ' . Thus, Φ1(y ) carries the same universal features as the limit distribution and can be used for consistency checks of universality claims based on finite-size systems. The second finite-size correction has an amplitude a2(L ) ∝1 /L2 and one finds that a2Φ2(y ) ≪a1Φ1(y ) already for small system size (L >10 ). We illustrate the feasibility of observing the calculated finite-size corrections by performing simulations of the X Y model at low temperatures, including T =0 .

  20. A Finite Element Model Approach to Determine the Influence of Electrode Design and Muscle Architecture on Myoelectric Signal Properties

    PubMed Central

    Teklemariam, A.; Hodson-Tole, E. F.; Reeves, N. D.; Costen, N. P.; Cooper, G.

    2016-01-01

    Introduction Surface electromyography (sEMG) is the measurement of the electrical activity of the skeletal muscle tissue detected at the skin’s surface. Typically, a bipolar electrode configuration is used. Most muscles have pennate and/or curved fibres, meaning it is not always feasible to align the bipolar electrodes along the fibres direction. Hence, there is a need to explore how different electrode designs can affect sEMG measurements. Method A three layer finite element (skin, fat, muscle) muscle model was used to explore different electrode designs. The implemented model used as source signal an experimentally recorded intramuscular EMG taken from the biceps brachii muscle of one healthy male. A wavelet based intensity analysis of the simulated sEMG signal was performed to analyze the power of the signal in the time and frequency domain. Results The model showed muscle tissue causing a bandwidth reduction (to 20-92- Hz). The inter-electrode distance (IED) and the electrode orientation relative to the fibres affected the total power but not the frequency filtering response. The effect of significant misalignment between the electrodes and the fibres (60°- 90°) could be reduced by increasing the IED (25–30 mm), which attenuates signal cancellation. When modelling pennated fibres, the muscle tissue started to act as a low pass filter. The effect of different IED seems to be enhanced in the pennated model, while the filtering response is changed considerably only when the electrodes are close to the signal termination within the model. For pennation angle greater than 20°, more than 50% of the source signal was attenuated, which can be compensated by increasing the IED to 25 mm. Conclusion Differences in tissue filtering properties, shown in our model, indicates that different electrode designs should be considered for muscle with different geometric properties (i.e. pennated muscles). PMID:26886908

  1. Some convergence properties of finite element approximations of problems in nonlinear elasticity with multi-valued solutions

    NASA Technical Reports Server (NTRS)

    Oden, J. T.

    1976-01-01

    Some results of studies of convergence and accuracy of finite element approximations of certain nonlinear problems encountered in finite elasticity are presented. A general technique for obtaining error bounds is also described together with an existence theorem. Numerical results obtained by solving a representative problem are also included.

  2. SIMULTANEOUS ESTIMATION OF ELECTRICAL AND THERMAL PROPERTIES OF MATERIAL FROM THE TONE-BURST EDDY CURRENT THERMOGRAPHY (TBET) TIME-TEMPERATURE DATA

    SciTech Connect

    Biju, N.; Ganesan, N.; Krishnamurthy, C. V.; Balasubramaniam, Krishnan

    2010-02-22

    In this paper, an inversion method is proposed to determine simultaneously the electrical and thermal properties of a given isotropic material from the time-temperature data obtained from the Tone-Burst Eddy current Thermography (TBET). A multi-physics forward model for computing the surface temperature data was used in a Genetic Algorithm (GA) based inversion technique to determine the material properties such as electrical conductivity (sigma), thermal conductivity (k), density (rho), and specific heat (C{sub p}) simultaneously. Different trials were carried out initially with simulated temperature data (with and without noise). A typical case of inversion of anisotropic material properties using a 2D finite element model is also discussed.

  3. The real space finite element Hartree-Fock method and the thermo-mechanical properties of carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Alizadegan, Rouhollah

    This thesis consists of two parts. The first part aims to explore the application of the popular method of the finite element method (FEM) in the electronic structure theory. The finite element method is a very general numerical technique in mathematics for solving partial differential equations (PDEs) and it has been widely applied in computational mechanics and engineering in general, but it has not been extensively used in science for electronic structure calculations. Currently most electronic structure calculations rely on well-established and fast basis-set alternatives. However, there are serious shortcomings with the standard global basis-set methods such as basis saturation and ill-conditioning of the matrices as the basis-set size is increased. In this dissertation we exploit new strategies that rely on the divide-and-conquer (DC) as well as the enriched/generalized FEM (GFEM) and face-based smoothed FEM (FS-FEM) methods to solve the electronic structure problems. The linear-scaling DC partitioning scheme has been used to scale up the method for larger systems with facile parallelization among many processors utilizing locality assumptions. GFEM and FS-FEM techniques have been proposed to deal with the inner core singularity and to improve the quality of the solutions without considerable added computational cost. While these results are highly encouraging, still more research needs to be conducted in order to be able to decisively determine the best method of tackling the numerical solution of the electronic structure of atoms and molecules. Based on these preliminary results, it is anticipated that yet more elegant hybrid techniques may exist. In the second part of the thesis, special attention has been paid to carbon nanotubes (CNTs) and their thermo-electro-mechanical properties. Application of CNTs and other carbon-based materials such as graphene in science and technology has been constantly on the rise in the past two decades for example as wires

  4. Determination of the mechanical and physical properties of cartilage by coupling poroelastic-based finite element models of indentation with artificial neural networks.

    PubMed

    Arbabi, Vahid; Pouran, Behdad; Campoli, Gianni; Weinans, Harrie; Zadpoor, Amir A

    2016-03-21

    One of the most widely used techniques to determine the mechanical properties of cartilage is based on indentation tests and interpretation of the obtained force-time or displacement-time data. In the current computational approaches, one needs to simulate the indentation test with finite element models and use an optimization algorithm to estimate the mechanical properties of cartilage. The modeling procedure is cumbersome, and the simulations need to be repeated for every new experiment. For the first time, we propose a method for fast and accurate estimation of the mechanical and physical properties of cartilage as a poroelastic material with the aid of artificial neural networks. In our study, we used finite element models to simulate the indentation for poroelastic materials with wide combinations of mechanical and physical properties. The obtained force-time curves are then divided into three parts: the first two parts of the data is used for training and validation of an artificial neural network, while the third part is used for testing the trained network. The trained neural network receives the force-time curves as the input and provides the properties of cartilage as the output. We observed that the trained network could accurately predict the properties of cartilage within the range of properties for which it was trained. The mechanical and physical properties of cartilage could therefore be estimated very fast, since no additional finite element modeling is required once the neural network is trained. The robustness of the trained artificial neural network in determining the properties of cartilage based on noisy force-time data was assessed by introducing noise to the simulated force-time data. We found that the training procedure could be optimized so as to maximize the robustness of the neural network against noisy force-time data. PMID:26944689

  5. Determination of the mechanical and physical properties of cartilage by coupling poroelastic-based finite element models of indentation with artificial neural networks.

    PubMed

    Arbabi, Vahid; Pouran, Behdad; Campoli, Gianni; Weinans, Harrie; Zadpoor, Amir A

    2016-03-21

    One of the most widely used techniques to determine the mechanical properties of cartilage is based on indentation tests and interpretation of the obtained force-time or displacement-time data. In the current computational approaches, one needs to simulate the indentation test with finite element models and use an optimization algorithm to estimate the mechanical properties of cartilage. The modeling procedure is cumbersome, and the simulations need to be repeated for every new experiment. For the first time, we propose a method for fast and accurate estimation of the mechanical and physical properties of cartilage as a poroelastic material with the aid of artificial neural networks. In our study, we used finite element models to simulate the indentation for poroelastic materials with wide combinations of mechanical and physical properties. The obtained force-time curves are then divided into three parts: the first two parts of the data is used for training and validation of an artificial neural network, while the third part is used for testing the trained network. The trained neural network receives the force-time curves as the input and provides the properties of cartilage as the output. We observed that the trained network could accurately predict the properties of cartilage within the range of properties for which it was trained. The mechanical and physical properties of cartilage could therefore be estimated very fast, since no additional finite element modeling is required once the neural network is trained. The robustness of the trained artificial neural network in determining the properties of cartilage based on noisy force-time data was assessed by introducing noise to the simulated force-time data. We found that the training procedure could be optimized so as to maximize the robustness of the neural network against noisy force-time data.

  6. Hartmann flow with temperature-dependent physical properties. [magnetohydrodynamics of liquid metal

    NASA Technical Reports Server (NTRS)

    Linn, G. T.; Walker, J. S.

    1978-01-01

    Attention is given to the steady, fully developed, one-dimensional flow of a liquid metal in which thermal conductivity, electrical conductivity, and viscosity are functions of temperature. It is found that the properties are decreasing functions of temperature and the first differences between temperature-dependent and constant properties are discussed.

  7. Spectral function of the U →∞ one-dimensional Hubbard model at finite temperature and the crossover to the spin-incoherent regime

    NASA Astrophysics Data System (ADS)

    Soltanieh-ha, Mohammad; Feiguin, Adrian E.

    2014-10-01

    The physics of the strongly interacting Hubbard chain (with t /U ≪1 ) at finite temperatures undergoes a crossover to a spin-incoherent regime when the temperature is very small relative to the Fermi energy, but larger than the characteristic spin energy scale. This crossover can be understood by means of Ogata and Shiba's factorized wave function, where charge and spin are totally decoupled, and assuming that the charge remains in the ground state, while the spin is thermally excited and at an effective "spin temperature." We use the time-dependent density matrix renormalization group method to calculate the dynamical contributions of the spin, to reconstruct the single-particle spectral function of the electrons. The crossover is characterized by a redistribution of spectral weight both in frequency and momentum, with an apparent shift by kF of the minimum of the dispersion.

  8. Finite temperature theory of spin-orbit coupled fermions in three dimensions in the presence of external Zeeman fields and tunable s-wave interactions

    NASA Astrophysics Data System (ADS)

    Powell, Philip; Baym, Gordon; Sa de Melo, Carlos

    We develop a finite temperature theory of ultracold three-dimensional Fermi gases in the presence of artificial spin-orbit coupling, Zeeman fields, and tunable s-wave interactions. With the inclusion of quadratic fluctuations, we compute both the critical temperature for superfluidity and the population of bound and unbound fermions throughout the evolution from the Bardeen-Cooper-Schrieffer (BCS) to Bose-Einstein condensate (BEC) regimes. In particular, we show that in the BEC regime, spin-orbit coupling is capable of increasing the critical temperature relative to the no-field case, by inducing a triplet component to the superfluid order parameter, while decreasing the many-body effective mass. We also derive the time-dependent Ginzburg-Landau equation to sixth-order in the superfluid order parameter, and obtain explicit expressions for the coefficients of the effective theory valid across the entire evolution from BCS to BEC superfluidity.

  9. Soft self-assembled nanoparticles with temperature-dependent properties

    NASA Astrophysics Data System (ADS)

    Rovigatti, Lorenzo; Capone, Barbara; Likos, Christos N.

    2016-02-01

    The fabrication of versatile building blocks that reliably self-assemble into desired ordered and disordered phases is amongst the hottest topics in contemporary materials science. To this end, microscopic units of varying complexity, aimed at assembling the target phases, have been thought, designed, investigated and built. Such a path usually requires laborious fabrication techniques, especially when specific functionalisation of the building blocks is required. Telechelic star polymers, i.e., star polymers made of a number of f di-block copolymers consisting of solvophobic and solvophilic monomers grafted on a central anchoring point, spontaneously self-assemble into soft patchy particles featuring attractive spots (patches) on the surface. Here we show that the tunability of such a system can be widely extended by controlling the physical and chemical parameters of the solution. Indeed, under fixed external conditions the self-assembly behaviour depends only on the number of arms and on the ratio of solvophobic to solvophilic monomers. However, changes in temperature and/or solvent quality make it possible to reliably change the number and size of the attractive patches. This allows the steering of the mesoscopic self-assembly behaviour without modifying the microscopic constituents. Interestingly, we also demonstrate that diverse combinations of the parameters can generate stars with the same number of patches but different radial and angular stiffness. This mechanism could provide a neat way of further fine-tuning the elastic properties of the supramolecular network without changing its topology.

  10. Properties of zinc oxide at low and moderate temperatures

    NASA Astrophysics Data System (ADS)

    Lashkarev, G. V.; Karpyna, V. A.; Lazorenko, V. I.; Ievtushenko, A. I.; Shtepliuk, I. I.; Khranovskyy, V. D.

    2011-03-01

    The properties of zinc oxide are examined as an analog of gallium nitride over a wide range of temperatures and possible applications. Its economic and environmental advantages are noted, as well as its radiation hardness, compared to group III nitrides. Methods for growing films and nanostructures with high crystal perfection are proposed. In particular, a magnetron technique for layer-by-layer growth of films is implemented which makes it possible to obtain high structural perfection and substantial thicknesses unattainable by several other methods. The feasibility of producing monochromatic UV radiation from films excited by short-wavelength radiation and electrons is demonstrated; this means that they may be useable as short-wavelength radiation sources. Efficient field emission by ZnO nanostructures and films is demonstrated and opens up the prospect of their use in vacuum microelectronics equipment. Nitrogen-doped ZnO films, in particular, have been used to fabricate a phototransistor with a sensitivity two orders of magnitude higher than conventional detectors. The physical basis for creating LEDs for different colors based on ZnO films and solid solutions with CdO is discussed. The importance of studying the physics and technology of zinc oxide-based devices is emphasized.

  11. Two-parameter scaling theory of the longitudinal magnetoconductivity in a Weyl metal phase: Chiral anomaly, weak disorder, and finite temperature

    NASA Astrophysics Data System (ADS)

    Kim, Kyoung-Min; Shin, Dongwoo; Sasaki, M.; Kim, Heon-Jung; Kim, Jeehoon; Kim, Ki-Seok

    2016-08-01

    It is at the heart of modern condensed matter physics to investigate the role of a topological structure in anomalous transport phenomena. In particular, chiral anomaly turns out to be the underlying mechanism for the negative longitudinal magnetoresistivity in a Weyl metal phase. The existence of a dissipationless current channel causes enhancement of electric currents along the direction of a pair of Weyl points or applied magnetic fields (B ). However, temperature (T ) dependence of the negative longitudinal magnetoresistivity has not been understood yet in the presence of disorder scattering since it is not clear at all how to introduce effects of disorder scattering into the topological-in-origin transport coefficient at finite temperatures. The calculation based on the Kubo formula of the current-current correlation function is simply not known for this anomalous transport coefficient. Combining the renormalization group analysis with the Boltzmann transport theory to encode the chiral anomaly, we reveal how disorder scattering renormalizes the distance between a pair of Weyl points and such a renormalization effect modifies the topological-in-origin transport coefficient at finite temperatures. As a result, we find breakdown of B /T scaling, given by B /T1 +η with 0 <η <1 . This breakdown may be regarded to be a fingerprint of the interplay between disorder scattering and topological structure in a Weyl metal phase.

  12. Strict site-occupation constraint in two-dimensional Heisenberg models and dynamical mass generation in QED{sub 3} at finite temperature

    SciTech Connect

    Dillenschneider, Raoul; Richert, Jean

    2006-06-01

    We study the effect of site occupation in two-dimensional quantum spin systems at finite temperature in a {pi}-flux state description at the mean-field level. We impose each lattice site to be occupied by a single SU(2) spin. This is realized by means of a specific prescription. We consider the low-energy Hamiltonian which is mapped into a QED{sub 3} Lagrangian of spinons. We compare the dynamically generated mass to the one obtained by means of an average site occupation constraint.

  13. Comparisons of node-based and element-based approaches of assigning bone material properties onto subject-specific finite element models.

    PubMed

    Chen, G; Wu, F Y; Liu, Z C; Yang, K; Cui, F

    2015-08-01

    Subject-specific finite element (FE) models can be generated from computed tomography (CT) datasets of a bone. A key step is assigning material properties automatically onto finite element models, which remains a great challenge. This paper proposes a node-based assignment approach and also compares it with the element-based approach in the literature. Both approaches were implemented using ABAQUS. The assignment procedure is divided into two steps: generating the data file of the image intensity of a bone in a MATLAB program and reading the data file into ABAQUS via user subroutines. The node-based approach assigns the material properties to each node of the finite element mesh, while the element-based approach assigns the material properties directly to each integration point of an element. Both approaches are independent from the type of elements. A number of FE meshes are tested and both give accurate solutions; comparatively the node-based approach involves less programming effort. The node-based approach is also independent from the type of analyses; it has been tested on the nonlinear analysis of a Sawbone femur. The node-based approach substantially improves the level of automation of the assignment procedure of bone material properties. It is the simplest and most powerful approach that is applicable to many types of analyses and elements. PMID:26054803

  14. Equation of state of an interacting Bose gas at finite temperature: A path-integral Monte Carlo study

    SciTech Connect

    Pilati, S.; Giorgini, S.; Sakkos, K.; Boronat, J.; Casulleras, J.

    2006-10-15

    By using exact path-integral Monte Carlo methods we calculate the equation of state of an interacting Bose gas as a function of temperature both below and above the superfluid transition. The universal character of the equation of state for dilute systems and low temperatures is investigated by modeling the interatomic interactions using different repulsive potentials corresponding to the same s-wave scattering length. The results obtained for the energy and the pressure are compared to the virial expansion for temperatures larger than the critical temperature. At very low temperatures we find agreement with the ground-state energy calculated using the diffusion Monte Carlo method.

  15. Nonlocal Polyakov-Nambu-Jona-Lasinio model with wave function renormalization at finite temperature and chemical potential

    SciTech Connect

    Contrera, G. A.; Orsaria, M.; Scoccola, N. N.

    2010-09-01

    We study the phase diagram of strongly interacting matter in the framework of a nonlocal SU(2) chiral quark model which includes wave function renormalization and coupling to the Polyakov loop. Both nonlocal interactions based on the frequently used exponential form factor, and on fits to the quark mass and renormalization functions obtained in lattice calculations are considered. Special attention is paid to the determination of the critical points, both in the chiral limit and at finite quark mass. In particular, we study the position of the critical end point as well as the value of the associated critical exponents for different model parametrizations.

  16. Load-bearing properties of minimal-invasive monolithic lithium disilicate and zirconia occlusal onlays: finite element and theoretical analyses

    PubMed Central

    Ma, Li; Guess, Petra C.; Zhang, Yu

    2013-01-01

    Objectives The aim of this study was to test the hypothesis that monolithic lithium disilicate glass-ceramic occlusal onlay can exhibit a load-bearing capacity that approaches monolithic zirconia, due to a smaller elastic modulus mismatch between the lithium disilicate and its supporting tooth structure relative to zirconia. Methods Ceramic occlusal onlays of various thicknesses cemented to either enamel or dentin were considered. Occlusal load was applied through an enamel-like deformable indenter or a control rigid indenter. Flexural tensile stress at the ceramic intaglio (cementation) surface—a cause for bulk fracture of occlusal onlays—was rigorously analyzed using finite element analysis and classical plate-on-foundation theory. Results When bonded to enamel (supported by dentin), the load-bearing capacity of lithium disilicate can approach 75% of that of zirconia, despite the flexural strength of lithium disilicate (400 MPa) being merely 40% of zirconia (1000 MPa). When bonded to dentin (with the enamel completely removed), the load-bearing capacity of lithium disilicate is about 57% of zirconia, still significantly higher than the anticipated value based on its strength. Both ceramics show slightly higher load-bearing capacity when loaded with a deformable indenter (enamel, glass-ceramic, or porcelain) rather than a rigid indenter. Significance When supported by enamel, the load-bearing property of minimally invasive lithium disilicate occlusal onlays (0.6 to 1.4 mm thick) can exceed 70% of that of zircona. Additionally, a relatively weak dependence of fracture load on restoration thickness indicates that a 1.2 mm thin lithium disilicate onlay can be as fracture resistant as its 1.6 mm counterpart. PMID:23683531

  17. Mechanical properties of UO2 thin films under heavy ion irradiation using nanoindentation and finite element modeling

    NASA Astrophysics Data System (ADS)

    Elbakhshwan, Mohamed S.; Miao, Yinbin; Stubbins, James F.; Heuser, Brent J.

    2016-10-01

    The mechanical response of UO2 to irradiation is becoming increasingly important due to the shift to higher burn-up rates in the next generation of nuclear reactors. In the current study, thin films of UO2 were deposited on YSZ substrates using reactive-gas magnetron sputtering. Nanoindentation was used to measure the mechanical properties of the as-grown and irradiated films. Finite element modeling was used to account for the substrate effect on the measurements. In order to study the effect of displacement cascades accompanying gas bubbles, 5000 Å UO2 films were irradiated with 600 keV Kr+ ions at 25 °C and 600 °C. These irradiation conditions were used to confine radiation damage effects and implanted gas within the film. Results showed an increase in the film hardness and yield strength with dose, while elastic modulus initially decreased with irradiation and then kept increasing with dose. The change in hardness and elastic modulus is attributed to the introduction of gas bubbles and displacement cascade damage. Irradiation at 600 °C resulted in a decrease in the hardness and elastic modulus after irradiation using 600 keV Kr+ at a dose of 1E14 ions/cm2. Both hardness and elastic modulus then increased with irradiation dose. This behavior is attributed to recrystallization during irradiation at 600 °C and the formation of nanocrystallite regions with diameter and density that increase with dose. The calculation of the critical resolved shear stress (CRSS) demonstrated that nanocrystals are the primary cause for film hardening based on the Orowan hardening mechanism.

  18. Application of optimization methodology and specimen-specific finite element models for investigating material properties of rat skull.

    PubMed

    Guan, Fengjiao; Han, Xu; Mao, Haojie; Wagner, Christina; Yeni, Yener N; Yang, King H

    2011-01-01

    Finite element (FE) models of rat skull bone samples were developed by reconstructing the three-dimensional geometry of microCT images and voxel-based hexahedral meshes. An optimization-based material identification method was developed to obtain the most favorable material property parameters by minimizing differences in three-point bending test responses between experimental and simulation results. An anisotropic Kriging model and sequential quadratic programming, in conjunction with Latin Hypercube Sampling (LHS), are utilized to minimize the disparity between the experimental and FE model predicted force-deflection curves. A selected number of material parameters, namely Young's modulus, yield stress, tangent modulus, and failure strain, are varied iteratively using the proposed optimization scheme until the assessment index 'F', the objective function comparing simulation and experimental force-deflection curves through least squares, is minimized. Results show that through the application of this method, the optimized models' force-deflection curves are closely in accordance with the measured data. The average differences between the experimental and simulation data are around 0.378 N (which was 3.3% of the force peak value) and 0.227 N (which was 2.7% of the force peak value) for two different test modes, respectively. The proposed optimization methodology is a potentially useful tool to effectively help establish material parameters. This study represents a preliminary effort in the development and validation of FE models for the rat skull, which may ultimately serve to develop a more biofidelic rat head FE model. PMID:20652748

  19. Microstructure and property correlations in high-temperature superconductors

    NASA Astrophysics Data System (ADS)

    Kalyanaraman, Ramakrishnan

    1998-11-01

    The work in this dissertation is intended at developing high quality device gradefilms of the high temperature (high-Tsbc) superconductor, Yttrium Barium Copper Oxide (YBCO), on MgO(001) substrates. Three approaches have been used to achieve the above goal, (i) The use of a SrTiOsb3 buffer layer, (ii) The use of Ag to enhance the growth of YBCO films and (iii) Investigation of the atomic structure-property correlations of low-angle grain boundaries in these films. Thin film heterostructures of YBCO/MgO and YBCO/SrTiOsb3/MgO were fabricated by pulsed laser deposition (PLD), using a 248 nm KrF excimer laser. Analysis of the structure and measurement of superconducting properties of the films were carried out to optimize the suitable conditions under each approach. The key findings were, (i) Single crystal-like SrTiOsb3 buffer layers can be grown and they give the highest JsbcYBCO films, (ii) An in-depth study of the role of Ag showed that it enhanced film growth of YBCO thereby improving its quality, and (iii) Low-angle boundaries in YBCO/MgO occur with two probable habit planes and the Jsbcs across them differ slightly. A systematic investigation of the crystalline quality of the SrTiOsb3 films deposited by PLD was performed as a function of oxygen partial pressure (pOsb2) and substrate temperature (Tsbc). The highest quality films were grown in the pOsb2 range of 0.1-1 mTorr at 750sp°C. The films had as-deposited x-ray diffraction rocking curve (omega) values of {˜}0.70sp° and Rutherford backscattering channeling yields (chisbmin) of 5% as compared to omega˜1.40sp° and chisbmin˜14% for the film deposited in 100 mTorr of pOsb2. The x-ray phi-scans showed epitaxial cube-on-cube alignment of the SrTiOsb3 films on MgO(001) substrates. Thermal annealing of the SrTiOsb3 films further improved the quality, and the 1 mTorr films gave omega{˜}0.13sp° and chisbmin˜2.0%. Transmission electron microscopy investigations (TEM) of these films showed that the defects in

  20. Ground state degeneracy, energy barriers, and molecular dynamics evidence for two-dimensional disorder in black phosphorus and monochalcogenide monolayers at finite temperature

    NASA Astrophysics Data System (ADS)

    Mehboudi, Mehrshad; Barraza-Lopez, Salvador; Dorio, Alex M.; Zhu, Wenjuan; van der Zande, Arend; Churchill, Hugh O. H.; Pacheco-Sanjuan, Alejandro A.; Harriss, Edmund O.; Kumar, Pradeep

    Mono-layers of black phosphorus and other two dimensional materials such as mono-layers of SiSe, GeS, GeSe, GeTe, Sns, SnSe, and SnTe with a similar crystalline structure have a four-fold degenerate ground state that leads to two-dimensional disorder at finite temperature. Disorder happens when neighboring atoms gently re-accommodate bonds beyond a critical temperature. In this talk, the effect of atomic numbers on the transition temperature will be discussed. In addition Car-Parinello molecular dynamics calculations at temperatures 30, 300 and 1000 K were performed on supercells containing more than five hundred atoms and the results from these calculations confirm the transition onto a two-dimensional disordered structure past the critical temperature, which is close to room temperature for many of these compounds. References: M. Mehboudi, A.M. Dorio, W. Zhu, A. van der Zande, H.O.H. Churchill, A.A. Pacheco Sanjuan, E.O.H. Harris, P. Kumar, and S. Barraza-Lopez. arXiv:1510.09153.