Proper time regularization and the QCD chiral phase transition

PubMed Central

Cui, Zhu-Fang; Zhang, Jin-Li; Zong, Hong-Shi

2017-01-01

We study the QCD chiral phase transition at finite temperature and finite quark chemical potential within the two flavor Nambu–Jona-Lasinio (NJL) model, where a generalization of the proper-time regularization scheme is motivated and implemented. We find that in the chiral limit the whole transition line in the phase diagram is of second order, whereas for finite quark masses a crossover is observed. Moreover, if we take into account the influence of quark condensate to the coupling strength (which also provides a possible way of how the effective coupling varies with temperature and quark chemical potential), it is found that a CEP may appear. These findings differ substantially from other NJL results which use alternative regularization schemes, some explanation and discussion are given at the end. This indicates that the regularization scheme can have a dramatic impact on the study of the QCD phase transition within the NJL model. PMID:28401889

Stability of rhombohedral phases in vanadium at high-pressure and high-temperature: first-principles investigations

NASA Astrophysics Data System (ADS)

Wang, Yi X.; Wu, Q.; Chen, Xiang R.; Geng, Hua Y.

2016-09-01

The pressure-induced transition of vanadium from BCC to rhombohedral structures is unique and intriguing among transition metals. In this work, the stability of these phases is revisited by using density functional theory. At finite temperatures, a novel transition of rhombohedral phases back to BCC phase induced by thermal electrons is discovered. This reentrant transition is found not driven by phonons, instead it is the electronic entropy that stabilizes the latter phase, which is totally out of expectation. Parallel to this transition, we find a peculiar and strong increase of the shear modulus C44 with increasing temperature. It is counter-intuitive in the sense that it suggests an unusual harding mechanism of vanadium by temperature. With these stability analyses, the high-pressure and finite-temperature phase diagram of vanadium is proposed. Furthermore, the dependence of the stability of RH phases on the Fermi energy and chemical environment is investigated. The results demonstrate that the position of the Fermi level has a significant impact on the phase stability, and follows the band-filling argument. Besides the Fermi surface nesting, we find that the localization/delocalization of the d orbitals also contributes to the instability of rhombohedral distortions in vanadium.

Mean-field theory of spin-glasses with finite coordination number

NASA Technical Reports Server (NTRS)

Kanter, I.; Sompolinsky, H.

1987-01-01

The mean-field theory of dilute spin-glasses is studied in the limit where the average coordination number is finite. The zero-temperature phase diagram is calculated and the relationship between the spin-glass phase and the percolation transition is discussed. The present formalism is applicable also to graph optimization problems.

Three dimensional finite temperature SU(3) gauge theory near the phase transition

NASA Astrophysics Data System (ADS)

Bialas, P.; Daniel, L.; Morel, A.; Petersson, B.

2013-06-01

We have measured the correlation function of Polyakov loops on the lattice in three dimensional SU(3) gauge theory near its finite temperature phase transition. Using a new and powerful application of finite size scaling, we furthermore extend the measurements of the critical couplings to considerably larger values of the lattice sizes, both in the temperature and space directions, than was investigated earlier in this theory. With the help of these measurements we perform a detailed finite size scaling analysis, showing that for the critical exponents of the two dimensional three state Potts model the mass and the susceptibility fall on unique scaling curves. This strongly supports the expectation that the gauge theory is in the same universality class. The Nambu-Goto string model on the other hand predicts that the exponent ν has the mean field value, which is quite different from the value in the abovementioned Potts model. Using our values of the critical couplings we also determine the continuum limit of the value of the critical temperature in terms of the square root of the zero temperature string tension. This value is very near to the prediction of the Nambu-Goto string model in spite of the different critical behaviour.

Chiral symmetry restoration at finite temperature and chemical potential in the improved ladder approximation

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

Taniguchi, Y.; Yoshida, Y.

1997-02-01

The chiral symmetry of QCD is studied at finite temperature and chemical potential using the Schwinger-Dyson equation in the improved ladder approximation. We calculate three order parameters: the vacuum expectation value of the quark bilinear operator, the pion decay constant, and the quark mass gap. We have a second order phase transition at the temperature T{sub c}=169 MeV along the zero chemical potential line, and a first order phase transition at the chemical potential {mu}{sub c}=598 MeV along the zero temperature line. We also calculate the critical exponents of the three order parameters. {copyright} {ital 1997} {ital The American Physicalmore » Society}« less

Ab initio calculation of finite-temperature charmonium potentials

NASA Astrophysics Data System (ADS)

Evans, P. W. M.; Allton, C. R.; Skullerud, J.-I.

2014-04-01

The interquark potential in charmonium states is calculated in both the zero and nonzero temperature phases from a first-principles lattice QCD calculation. Simulations with two dynamical quark flavors are used with temperatures T in the range 0.4Tc≲T≲1.7Tc, where Tc is the deconfining temperature. The correlators of point-split operators are analyzed to gain spatial information about the charmonium states. A method introduced by the HAL QCD Collaboration and based on the Schrödinger equation is applied to obtain the interquark potential. We find a clear temperature dependence with the central potential agreeing with the Cornell potential in the confined phase and becoming flatter (more screened) as the temperature increases past the deconfining temperature. This is the first time the interquark potential has been calculated for realistic quarks at finite temperature.

Potential of energy harvesting in barium titanate based laminates from room temperature to cryogenic/high temperatures: measurements and linking phase field and finite element simulations

NASA Astrophysics Data System (ADS)

Narita, Fumio; Fox, Marina; Mori, Kotaro; Takeuchi, Hiroki; Kobayashi, Takuya; Omote, Kenji

2017-11-01

This paper studies the energy harvesting characteristics of piezoelectric laminates consisting of barium titanate (BaTiO3) and copper (Cu) from room temperature to cryogenic/high temperatures both experimentally and numerically. First, the output voltages of the piezoelectric BaTiO3/Cu laminates were measured from room temperature to a cryogenic temperature (77 K). The output power was evaluated for various values of load resistance. The results showed that the maximum output power density is approximately 2240 nW cm-3. The output voltages of the BaTiO3/Cu laminates were also measured from room temperature to a higher temperature (333 K). To discuss the output voltages of the BaTiO3/Cu laminates due to temperature changes, phase field and finite element simulations were combined. A phase field model for grain growth was used to generate grain structures. The phase field model was then employed for BaTiO3 polycrystals, coupled with the time-dependent Ginzburg-Landau theory and the oxygen vacancies diffusion, to calculate the temperature-dependent piezoelectric coefficient and permittivity. Using these properties, the output voltages of the BaTiO3/Cu laminates from room temperature to both 77 K and 333 K were analyzed by three dimensional finite element methods, and the results are presented for several grain sizes and oxygen vacancy densities. It was found that electricity in the BaTiO3 ceramic layer is generated not only through the piezoelectric effect caused by a thermally induced bending stress but also by the temperature dependence of the BaTiO3 piezoelectric coefficient and permittivity.

An RF phased array applicator designed for hyperthermia breast cancer treatments

PubMed Central

Wu, Liyong; McGough, Robert J; Arabe, Omar Ali; Samulski, Thaddeus V

2007-01-01

An RF phased array applicator has been constructed for hyperthermia treatments in the intact breast. This RF phased array consists of four antennas mounted on a Lexan water tank, and geometric focusing is employed so that each antenna points in the direction of the intended target. The operating frequency for this phased array is 140 MHz. The RF array has been characterized both by electric field measurements in a water tank and by electric field simulations using the finite-element method. The finite-element simulations are performed with HFSS software, where the mesh defined for finite-element calculations includes the geometry of the tank enclosure and four end-loaded dipole antennas. The material properties of the water tank enclosure and the antennas are also included in each simulation. The results of the finite-element simulations are compared to the measured values for this configuration, and the results, which include the effects of amplitude shading and phase shifting, show that the electric field predicted by finite-element simulations is similar to the measured field. Simulations also show that the contributions from standing waves are significant, which is consistent with measurement results. Simulated electric field and bio-heat transfer results are also computed within a simple 3D breast model. Temperature simulations show that, although peak temperatures are generated outside the simulated tumour target, this RF phased array applicator is an effective device for regional hyperthermia in the intact breast. PMID:16357427

Transport properties of bilayer graphene due to charged impurity scattering: Temperature-dependent screening and substrate effects

NASA Astrophysics Data System (ADS)

Linh, Dang Khanh; Khanh, Nguyen Quoc

2018-03-01

We calculate the zero-temperature conductivity of bilayer graphene (BLG) impacted by Coulomb impurity scattering using four different screening models: unscreened, Thomas-Fermi (TF), overscreened and random phase approximation (RPA). We also calculate the conductivity and thermal conductance of BLG using TF, zero- and finite-temperature RPA screening functions. We find large differences between the results of the models and show that TF and finite-temperature RPA give similar results for diffusion thermopower Sd. Using the finite-temperature RPA, we calculate temperature and density dependence of Sd in BLG on SiO2, HfO2 substrates and suspended BLG for different values of interlayer distance c and distance between the first layer and the substrate d.

Stability of rhombohedral phases in vanadium at high-pressure and high-temperature: first-principles investigations

PubMed Central

Wang, Yi X.; Wu, Q.; Chen, Xiang R.; Geng, Hua Y.

2016-01-01

The pressure-induced transition of vanadium from BCC to rhombohedral structures is unique and intriguing among transition metals. In this work, the stability of these phases is revisited by using density functional theory. At finite temperatures, a novel transition of rhombohedral phases back to BCC phase induced by thermal electrons is discovered. This reentrant transition is found not driven by phonons, instead it is the electronic entropy that stabilizes the latter phase, which is totally out of expectation. Parallel to this transition, we find a peculiar and strong increase of the shear modulus C44 with increasing temperature. It is counter-intuitive in the sense that it suggests an unusual harding mechanism of vanadium by temperature. With these stability analyses, the high-pressure and finite-temperature phase diagram of vanadium is proposed. Furthermore, the dependence of the stability of RH phases on the Fermi energy and chemical environment is investigated. The results demonstrate that the position of the Fermi level has a significant impact on the phase stability, and follows the band-filling argument. Besides the Fermi surface nesting, we find that the localization/delocalization of the d orbitals also contributes to the instability of rhombohedral distortions in vanadium. PMID:27581551

Toric-boson model: Toward a topological quantum memory at finite temperature

NASA Astrophysics Data System (ADS)

Hamma, Alioscia; Castelnovo, Claudio; Chamon, Claudio

2009-06-01

We discuss the existence of stable topological quantum memory at finite temperature. At stake here is the fundamental question of whether it is, in principle, possible to store quantum information for macroscopic times without the intervention from the external world, that is, without error correction. We study the toric code in two dimensions with an additional bosonic field that couples to the defects, in the presence of a generic environment at finite temperature: the toric-boson model. Although the coupling constants for the bare model are not finite in the thermodynamic limit, the model has a finite spectrum. We show that in the topological phase, there is a finite temperature below which open strings are confined and therefore the lifetime of the memory can be made arbitrarily (polynomially) long in system size. The interaction with the bosonic field yields a long-range attractive force between the end points of open strings but leaves closed strings and topological order intact.

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

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

Idziaszek, Z.; Institut fuer Theoretische Physik, Universitaet Hannover, D-30167 Hannover,; 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.

Numerical simulation of one-dimensional heat transfer in composite bodies with phase change. M.S. Thesis, 1980 Final Report; [wing deicing pads

NASA Technical Reports Server (NTRS)

Dewitt, K. J.; Baliga, G.

1982-01-01

A numerical simulation was developed to investigate the one dimensional heat transfer occurring in a system composed of a layered aircraft blade having an ice deposit on its surface. The finite difference representation of the heat conduction equations was done using the Crank-Nicolson implicit finite difference formulation. The simulation considers uniform or time dependent heat sources, from heaters which can be either point sources or of finite thickness. For the ice water phase change, a numerical method which approximates the latent heat effect by a large heat capacity over a small temperature interval was applied. The simulation describes the temperature profiles within the various layers of the de-icer pad, as well as the movement of the ice water interface. The simulation could also be used to predict the one dimensional temperature profiles in any composite slab having different boundary conditions.

Topological order, entanglement, and quantum memory at finite temperature

NASA Astrophysics Data System (ADS)

Mazáč, Dalimil; Hamma, Alioscia

2012-09-01

We compute the topological entropy of the toric code models in arbitrary dimension at finite temperature. We find that the critical temperatures for the existence of full quantum (classical) topological entropy correspond to the confinement-deconfinement transitions in the corresponding Z2 gauge theories. This implies that the thermal stability of topological entropy corresponds to the stability of quantum (classical) memory. The implications for the understanding of ergodicity breaking in topological phases are discussed.

Superfluid transition of homogeneous and trapped two-dimensional Bose gases.

PubMed

Holzmann, Markus; Baym, Gordon; Blaizot, Jean-Paul; Laloë, Franck

2007-01-30

Current experiments on atomic gases in highly anisotropic traps present the opportunity to study in detail the low temperature phases of two-dimensional inhomogeneous systems. Although, in an ideal gas, the trapping potential favors Bose-Einstein condensation at finite temperature, interactions tend to destabilize the condensate, leading to a superfluid Kosterlitz-Thouless-Berezinskii phase with a finite superfluid mass density but no long-range order, as in homogeneous fluids. The transition in homogeneous systems is conveniently described in terms of dissociation of topological defects (vortex-antivortex pairs). However, trapped two-dimensional gases are more directly approached by generalizing the microscopic theory of the homogeneous gas. In this paper, we first derive, via a diagrammatic expansion, the scaling structure near the phase transition in a homogeneous system, and then study the effects of a trapping potential in the local density approximation. We find that a weakly interacting trapped gas undergoes a Kosterlitz-Thouless-Berezinskii transition from the normal state at a temperature slightly below the Bose-Einstein transition temperature of the ideal gas. The characteristic finite superfluid mass density of a homogeneous system just below the transition becomes strongly suppressed in a trapped gas.

Stability and phase transition of skyrmion crystals generated by Dzyaloshinskii-Moriya interaction

NASA Astrophysics Data System (ADS)

El Hog, Sahbi; Bailly-Reyre, Aurélien; Diep, H. T.

2018-06-01

We generate a crystal of skyrmions in two dimensions using a Heisenberg Hamiltonian including the ferromagnetic interaction J, the Dzyaloshinskii-Moriya interaction D, and an applied magnetic field H. The ground state (GS) is determined by minimizing the interaction energy. We show that the GS is a skyrmion crystal in a region of (D, H) . The stability of this skyrmion crystalline phase at finite temperatures is shown by a study of the time-dependence of the order parameter using Monte Carlo simulations. We observe that the relaxation is very slow and follows a stretched exponential law. The skyrmion crystal phase is shown to undergo a transition to the paramagnetic state at a finite temperature.

Benford's law gives better scaling exponents in phase transitions of quantum XY models.

PubMed

Rane, Ameya Deepak; Mishra, Utkarsh; Biswas, Anindya; Sen De, Aditi; Sen, Ujjwal

2014-08-01

Benford's law is an empirical law predicting the distribution of the first significant digits of numbers obtained from natural phenomena and mathematical tables. It has been found to be applicable for numbers coming from a plethora of sources, varying from seismographic, biological, financial, to astronomical. We apply this law to analyze the data obtained from physical many-body systems described by the one-dimensional anisotropic quantum XY models in a transverse magnetic field. We detect the zero-temperature quantum phase transition and find that our method gives better finite-size scaling exponents for the critical point than many other known scaling exponents using measurable quantities like magnetization, entanglement, and quantum discord. We extend our analysis to the same system but at finite temperature and find that it also detects the finite-temperature phase transition in the model. Moreover, we compare the Benford distribution analysis with the same obtained from the uniform and Poisson distributions. The analysis is furthermore important in that the high-precision detection of the cooperative physical phenomena is possible even from low-precision experimental data.

Nematic order on the surface of a three-dimensional topological insulator

NASA Astrophysics Data System (ADS)

Lundgren, Rex; Yerzhakov, Hennadii; Maciejko, Joseph

2017-12-01

We study the spontaneous breaking of rotational symmetry in the helical surface state of three-dimensional topological insulators due to strong electron-electron interactions, focusing on time-reversal invariant nematic order. Owing to the strongly spin-orbit coupled nature of the surface state, the nematic order parameter is linear in the electron momentum and necessarily involves the electron spin, in contrast with spin-degenerate nematic Fermi liquids. For a chemical potential at the Dirac point (zero doping), we find a first-order phase transition at zero temperature between isotropic and nematic Dirac semimetals. This extends to a thermal phase transition that changes from first to second order at a finite-temperature tricritical point. At finite doping, we find a transition between isotropic and nematic helical Fermi liquids that is second order even at zero temperature. Focusing on finite doping, we discuss various observable consequences of nematic order, such as anisotropies in transport and the spin susceptibility, the partial breakdown of spin-momentum locking, collective modes and induced spin fluctuations, and non-Fermi-liquid behavior at the quantum critical point and in the nematic phase.

First-principles thermodynamics study of phase stability in inorganic halide perovskite solid solutions

NASA Astrophysics Data System (ADS)

Bechtel, Jonathon S.; Van der Ven, Anton

2018-04-01

Halide substitution gives rise to a tunable band gap as a function of composition in halide perovskite materials. However, photoinduced phase segregation, observed at room temperature in mixed halide A Pb (IxBr1-x) 3 systems, limits open circuit voltages and decreases photovoltaic device efficiencies. We investigate equilibrium phase stability of orthorhombic P n m a γ -phase CsM (XxY1-x) 3 perovskites where M is Pb or Sn, and X and Y are Br, Cl, or I. Finite-temperature phase diagrams are constructed using a cluster expansion effective Hamiltonian parameterized from first-principles density-functional-theory calculations. Solid solution phases for CsM (IxBr1-x) 3 and CsM (BrxCl1-x) 3 are predicted to be stable well below room temperature while CsM (IxCl1-x) 3 systems have miscibility gaps that extend above 400 K. The height of the miscibility gap correlates with the difference in volume between end members. Also layered ground states are found on the convex hull at x =2 /3 for CsSnBr2Cl ,CsPbI2Br , and CsPbBrCl2. The impact of these ground states on the finite temperature phase diagram is discussed in the context of the experimentally observed photoinduced phase segregation.

The application of super wavelet finite element on temperature-pressure coupled field simulation of LPG tank under jet fire

NASA Astrophysics Data System (ADS)

Zhao, Bin

2015-02-01

Temperature-pressure coupled field analysis of liquefied petroleum gas (LPG) tank under jet fire can offer theoretical guidance for preventing the fire accidents of LPG tank, the application of super wavelet finite element on it is studied in depth. First, review of related researches on heat transfer analysis of LPG tank under fire and super wavelet are carried out. Second, basic theory of super wavelet transform is studied. Third, the temperature-pressure coupled model of gas phase and liquid LPG under jet fire is established based on the equation of state, the VOF model and the RNG k-ɛ model. Then the super wavelet finite element formulation is constructed using the super wavelet scale function as interpolating function. Finally, the simulation is carried out, and results show that the super wavelet finite element method has higher computing precision than wavelet finite element method.

Frustrated magnetism and caloric effects in Mn-based antiperovskite nitrides: Ab initio theory

NASA Astrophysics Data System (ADS)

Zemen, J.; Mendive-Tapia, E.; Gercsi, Z.; Banerjee, R.; Staunton, J. B.; Sandeman, K. G.

2017-05-01

We model changes of magnetic ordering in Mn-based antiperovskite nitrides driven by biaxial lattice strain at zero and at finite temperature. We employ a noncollinear spin-polarized density functional theory to compare the response of the geometrically frustrated exchange interactions to a tetragonal symmetry breaking (the so called piezomagnetic effect) across a range of Mn3AN (A = Rh, Pd, Ag, Co, Ni, Zn, Ga, In, Sn) at zero temperature. Building on the robustness of the effect we focus on Mn3GaN and extend our study to finite temperature using the disordered local moment (DLM) first-principles electronic structure theory to model the interplay between the ordering of Mn magnetic moments and itinerant electron states. We discover a rich temperature-strain magnetic phase diagram with two previously unreported phases stabilized by strains larger than 0.75% and with transition temperatures strongly dependent on strain. We propose an elastocaloric cooling cycle crossing two of the available phase transitions to achieve simultaneously a large isothermal entropy change (due to the first-order transition) and a large adiabatic temperature change (due to the second-order transition).

The order of the quantum chromodynamics transition predicted by the standard model of particle physics.

PubMed

Aoki, Y; Endrodi, G; Fodor, Z; Katz, S D; Szabó, K K

2006-10-12

Quantum chromodynamics (QCD) is the theory of the strong interaction, explaining (for example) the binding of three almost massless quarks into a much heavier proton or neutron--and thus most of the mass of the visible Universe. The standard model of particle physics predicts a QCD-related transition that is relevant for the evolution of the early Universe. At low temperatures, the dominant degrees of freedom are colourless bound states of hadrons (such as protons and pions). However, QCD is asymptotically free, meaning that at high energies or temperatures the interaction gets weaker and weaker, causing hadrons to break up. This behaviour underlies the predicted cosmological transition between the low-temperature hadronic phase and a high-temperature quark-gluon plasma phase (for simplicity, we use the word 'phase' to characterize regions with different dominant degrees of freedom). Despite enormous theoretical effort, the nature of this finite-temperature QCD transition (that is, first-order, second-order or analytic crossover) remains ambiguous. Here we determine the nature of the QCD transition using computationally demanding lattice calculations for physical quark masses. Susceptibilities are extrapolated to vanishing lattice spacing for three physical volumes, the smallest and largest of which differ by a factor of five. This ensures that a true transition should result in a dramatic increase of the susceptibilities. No such behaviour is observed: our finite-size scaling analysis shows that the finite-temperature QCD transition in the hot early Universe was not a real phase transition, but an analytic crossover (involving a rapid change, as opposed to a jump, as the temperature varied). As such, it will be difficult to find experimental evidence of this transition from astronomical observations.

Random phase approximation and cluster mean field studies of hard core Bose Hubbard model

NASA Astrophysics Data System (ADS)

Alavani, Bhargav K.; Gaude, Pallavi P.; Pai, Ramesh V.

2018-04-01

We investigate zero temperature and finite temperature properties of the Bose Hubbard Model in the hard core limit using Random Phase Approximation (RPA) and Cluster Mean Field Theory (CMFT). We show that our RPA calculations are able to capture quantum and thermal fluctuations significantly better than CMFT.

End point of a first-order phase transition in many-flavor lattice QCD at finite temperature and density.

PubMed

Ejiri, Shinji; Yamada, Norikazu

2013-04-26

Towards the feasibility study of the electroweak baryogenesis in realistic technicolor scenario, we investigate the phase structure of (2+N(f))-flavor QCD, where the mass of two flavors is fixed to a small value and the others are heavy. For the baryogenesis, an appearance of a first-order phase transition at finite temperature is a necessary condition. Using a set of configurations of two-flavor lattice QCD and applying the reweighting method, the effective potential defined by the probability distribution function of the plaquette is calculated in the presence of additional many heavy flavors. Through the shape of the effective potential, we determine the critical mass of heavy flavors separating the first-order and crossover regions and find it to become larger with N(f). We moreover study the critical line at finite density and the first-order region is found to become wider as increasing the chemical potential. Possible applications to real (2+1)-flavor QCD are discussed.

A model to study finite-size and magnetic effects on the phase transition of a fermion interacting system

NASA Astrophysics Data System (ADS)

Corrêa, Emerson B. S.; Linhares, César A.; Malbouisson, Adolfo P. C.

2018-03-01

We present a model to study the effects from external magnetic field, chemical potential and finite size on the phase structures of a massive four- and six-fermion interacting systems. These effects are introduced by a method of compactification of coordinates, a generalization of the standard Matsubara prescription. Through the compactification of the z-coordinate and of imaginary time, we describe a heated system with the shape of a film of thickness L, at temperature β-1 undergoing first- or second-order phase transition. We have found a strong dependence of the temperature transition on the coupling constants λ and η. Besides inverse magnetic catalysis and symmetry breaking for both kinds of transition, we have found an inverse symmetry breaking phenomenon with respect to first-order phase transition.

Quantum size effects in the size-temperature phase diagram of gallium: structural characterization of shape-shifting clusters.

PubMed

Steenbergen, Krista G; Gaston, Nicola

2015-02-09

Finite temperature analysis of cluster structures is used to identify signatures of the low-temperature polymorphs of gallium, based on the results of first-principle Born-Oppenheimer molecular dynamics simulations. Pre-melting structural transitions proceed from either the β- and/or the δ-phase to the γ- or δ-phase, with a size- dependent phase progression. We relate the stability of each isomer to the electronic structures of the different phases, giving new insight into the origin of polymorphism in this complicated element. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Effects of Composite Pions on the Chiral Condensate within the PNJL Model at Finite Temperature

NASA Astrophysics Data System (ADS)

Blaschke, D.; Dubinin, A.; Ebert, D.; Friesen, A. V.

2018-05-01

We investigate the effect of composite pions on the behaviour of the chiral condensate at finite temperature within the Polyakov-loop improved NJL model. To this end we treat quark-antiquark correlations in the pion channel (bound states and scattering continuum) within a Beth-Uhlenbeck approach that uses medium-dependent phase shifts. A striking medium effect is the Mott transition which occurs when the binding energy vanishes and the discrete pion bound state merges the continuum. This transition is triggered by the lowering of the continuum edge due to the chiral restoration transition. This in turn also entails a modification of the Polyakov-loop so that the SU(3) center symmetry gets broken at finite temperature and dynamical quarks (and gluons) appear in the system, taking over the role of the dominant degrees of freedom from the pions. At low temperatures our model reproduces the chiral perturbation theory result for the chiral condensate while at high temperatures the PNJL model result is recovered. The new aspect of the current work is a consistent treatment of the chiral restoration transition region within the Beth-Uhlenbeck approach on the basis of mesonic phase shifts for the treatment of the correlations.

Evidence for a Finite-Temperature Insulator.

PubMed

Ovadia, M; Kalok, D; Tamir, I; Mitra, S; Sacépé, B; Shahar, D

2015-08-27

In superconductors the zero-resistance current-flow is protected from dissipation at finite temperatures (T) by virtue of the short-circuit condition maintained by the electrons that remain in the condensed state. The recently suggested finite-T insulator and the "superinsulating" phase are different because any residual mechanism of conduction will eventually become dominant as the finite-T insulator sets-in. If the residual conduction is small it may be possible to observe the transition to these intriguing states. We show that the conductivity of the high magnetic-field insulator terminating superconductivity in amorphous indium-oxide exhibits an abrupt drop, and seem to approach a zero conductance at T < 0.04 K. We discuss our results in the light of theories that lead to a finite-T insulator.

Effects of renormalizing the chiral SU(2) quark-meson model

NASA Astrophysics Data System (ADS)

Zacchi, Andreas; Schaffner-Bielich, Jürgen

2018-04-01

We investigate the restoration of chiral symmetry at finite temperature in the SU(2) quark-meson model, where the mean field approximation is compared to the renormalized version for quarks and mesons. In a combined approach at finite temperature, all the renormalized versions show a crossover transition. The inclusion of different renormalization scales leave the order parameter and the mass spectra nearly untouched but strongly influence the thermodynamics at low temperatures and around the phase transition. We find unphysical results for the renormalized version of mesons and the combined one.

Emergent phases of fractonic matter

NASA Astrophysics Data System (ADS)

Prem, Abhinav; Pretko, Michael; Nandkishore, Rahul M.

2018-02-01

Fractons are emergent particles which are immobile in isolation, but which can move together in dipolar pairs or other small clusters. These exotic excitations naturally occur in certain quantum phases of matter described by tensor gauge theories. Previous research has focused on the properties of small numbers of fractons and their interactions, effectively mapping out the "standard model" of fractons. In the present work, however, we consider systems with a finite density of either fractons or their dipolar bound states, with a focus on the U (1 ) fracton models. We study some of the phases in which emergent fractonic matter can exist, thereby initiating the study of the "condensed matter" of fractons. We begin by considering a system with a finite density of fractons, which we show can exhibit microemulsion physics, in which fractons form small-scale clusters emulsed in a phase dominated by long-range repulsion. We then move on to study systems with a finite density of mobile dipoles, which have phases analogous to many conventional condensed matter phases. We focus on two major examples: Fermi liquids and quantum Hall phases. A finite density of fermionic dipoles will form a Fermi surface and enter a Fermi liquid phase. Interestingly, this dipolar Fermi liquid exhibits a finite-temperature phase transition, corresponding to an unbinding transition of fractons. Finally, we study chiral two-dimensional phases corresponding to dipoles in "quantum Hall" states of their emergent magnetic field. We study numerous aspects of these generalized quantum Hall systems, such as their edge theories and ground state degeneracies.

Possible ergodic-nonergodic regions in the quantum Sherrington-Kirkpatrick spin glass model and quantum annealing

NASA Astrophysics Data System (ADS)

Mukherjee, Sudip; Rajak, Atanu; Chakrabarti, Bikas K.

2018-02-01

We explore the behavior of the order parameter distribution of the quantum Sherrington-Kirkpatrick model in the spin glass phase using Monte Carlo technique for the effective Suzuki-Trotter Hamiltonian at finite temperatures and that at zero temperature obtained using the exact diagonalization method. Our numerical results indicate the existence of a low- but finite-temperature quantum-fluctuation-dominated ergodic region along with the classical fluctuation-dominated high-temperature nonergodic region in the spin glass phase of the model. In the ergodic region, the order parameter distribution gets narrower around the most probable value of the order parameter as the system size increases. In the other region, the Parisi order distribution function has nonvanishing value everywhere in the thermodynamic limit, indicating nonergodicity. We also show that the average annealing time for convergence (to a low-energy level of the model, within a small error range) becomes system size independent for annealing down through the (quantum-fluctuation-dominated) ergodic region. It becomes strongly system size dependent for annealing through the nonergodic region. Possible finite-size scaling-type behavior for the extent of the ergodic region is also addressed.

Phase transition in the spin- 3 / 2 Blume-Emery-Griffiths model with antiferromagnetic second neighbor interactions

NASA Astrophysics Data System (ADS)

Yezli, M.; Bekhechi, S.; Hontinfinde, F.; EZ-Zahraouy, H.

2016-04-01

Two nonperturbative methods such as Monte-Carlo simulation (MC) and Transfer-Matrix Finite-Size-Scaling calculations (TMFSS) have been used to study the phase transition of the spin- 3 / 2 ​Blume-Emery-Griffiths model (BEG) with quadrupolar and antiferromagnetic next-nearest-neighbor exchange interactions. Ground state and finite temperature phase diagrams are obtained by means of these two methods. New degenerate phases are found and only second order phase transitions occur for all values of the parameter interactions. No sign of the intermediate phase is found from both methods. Critical exponents are also obtained from TMFSS calculations. Ising criticality and nonuniversal behaviors are observed depending on the strength of the second neighbor interaction.

Emergent phases and critical behavior in a non-Markovian open quantum system

NASA Astrophysics Data System (ADS)

Cheung, H. F. H.; Patil, Y. S.; Vengalattore, M.

2018-05-01

Open quantum systems exhibit a range of novel out-of-equilibrium behavior due to the interplay between coherent quantum dynamics and dissipation. Of particular interest in these systems are driven, dissipative transitions, the emergence of dynamical phases with novel broken symmetries, and critical behavior that lies beyond the conventional paradigm of Landau-Ginzburg phenomenology. Here, we consider a parametrically driven two-mode system in the presence of non-Markovian system-reservoir interactions. We show that the non-Markovian dynamics modifies the phase diagram of this system, resulting in the emergence of a broken symmetry phase in a universality class that has no counterpart in the corresponding Markovian system. This emergent phase is accompanied by enhanced two-mode entanglement that remains robust at finite temperatures. Such reservoir-engineered dynamical phases can potentially shed light on universal aspects of dynamical phase transitions in a wide range of nonequilibrium systems, and aid in the development of techniques for the robust generation of entanglement and quantum correlations at finite temperatures with potential applications to quantum control, state preparation, and metrology.

Nuclear Deformation at Finite Temperature

NASA Astrophysics Data System (ADS)

Alhassid, Y.; Gilbreth, C. N.; Bertsch, G. F.

2014-12-01

Deformation, a key concept in our understanding of heavy nuclei, is based on a mean-field description that breaks the rotational invariance of the nuclear many-body Hamiltonian. We present a method to analyze nuclear deformations at finite temperature in a framework that preserves rotational invariance. The auxiliary-field Monte Carlo method is used to generate a statistical ensemble and calculate the probability distribution associated with the quadrupole operator. Applying the technique to nuclei in the rare-earth region, we identify model-independent signatures of deformation and find that deformation effects persist to temperatures higher than the spherical-to-deformed shape phase-transition temperature of mean-field theory.

Fermionic spectral functions in backreacting p-wave superconductors at finite temperature

NASA Astrophysics Data System (ADS)

Giordano, G. L.; Grandi, N. E.; Lugo, A. R.

2017-04-01

We investigate the spectral function of fermions in a p-wave superconducting state, at finite both temperature and gravitational coupling, using the AdS/CF T correspondence and extending previous research. We found that, for any coupling below a critical value, the system behaves as its zero temperature limit. By increasing the coupling, the "peak-dip-hump" structure that characterizes the spectral function at fixed momenta disappears. In the region where the normal/superconductor phase transition is first order, the presence of a non-zero order parameter is reflected in the absence of rotational symmetry in the fermionic spectral function at the critical temperature.

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.

Dark-soliton dynamics in Bose-Einstein condensates at finite temperature

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

Jackson, B.; Proukakis, N. P.; Barenghi, C. F.

2007-05-15

The dynamics of a dark soliton in an elongated Bose-Einstein condensate is studied at finite temperatures. In addition to accurately reproducing all stages of the decay of the soliton observed in the experiment of Burger et al. [Phys. Rev. Lett. 83, 5198 (1999)], our numerical simulations reveal the existence of an experimentally accessible parameter regime for which phase-imprinted dark solitons can execute at least one full axial oscillation prior to their decay. The dependence of the decay time scale on temperature and initial soliton depth is analyzed and the role of interatomic collisions quantified.

Thermodynamics of the relativistic Fermi gas in D dimensions

NASA Astrophysics Data System (ADS)

Sevilla, Francisco J.; Piña, Omar

2017-09-01

The influence of spatial dimensionality and particle-antiparticle pair production on the thermodynamic properties of the relativistic Fermi gas, at finite chemical potential, is studied. Resembling a "phase transition", qualitatively different behaviors of the thermodynamic susceptibilities, namely the isothermal compressibility and the specific heat, are markedly observed at different temperature regimes as function of the system dimensionality and of the rest mass of the particles. A minimum in the temperature dependence of the isothermal compressibility marks a characteristic temperature, in the range of tenths of the Fermi temperature, at which the system transit from a "normal" phase, to a phase where the gas compressibility grows as a power law of the temperature.

Lepton effects on the protoneutron stars with the hadron-quark mixed phase in the Nambu-Jona-Lasinio model

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

Yasutake, Nobutoshi; Kashiwa, Kouji

2009-02-15

We study the structures of hybrid stars with leptons at finite temperature under beta equilibrium. For the quark phase, we use the three flavor Nambu-Jona-Lasinio (NJL) model. For the hadron phase, we adopt the nuclear equation of state (EOS) by Shen et al.. This EOS is in the framework of the relativistic mean field theory including the tree body effects. For the hadron-quark phase transition, we impose the bulk Gibbs construction or the Maxwell construction to take into account uncertainties by finite-size effects. We find that the pure quark phase does not appear in stable star cores in all cases.more » With the phase transition, the maximum masses increase {approx}10% for high lepton fraction. On the contrary, without the transition, they decrease {approx}10%. We also find that, in the NJL model, the lepton fraction is more important for structures of unstable stars than the temperature. This result is important for many astrophysical phenomena such as the core collapse of massive stars.« less

Sign phase transition in the problem of interfering directed paths

NASA Astrophysics Data System (ADS)

Baldwin, C. L.; Laumann, C. R.; Spivak, B.

2018-01-01

We investigate the statistical properties of interfering directed paths in disordered media. At long distance, the average sign of the sum over paths may tend to zero (sign disordered) or remain finite (sign ordered) depending on dimensionality and the concentration of negative scattering sites x . We show that in two dimensions the sign-ordered phase is unstable even for arbitrarily small x by identifying rare destabilizing events. In three dimensions, we present strong evidence that there is a sign phase transition at a finite xc>0 . These results have consequences for several different physical systems. In two-dimensional insulators at low temperature, the variable-range-hopping magnetoresistance is always negative, while in three dimensions, it changes sign at the point of the sign phase transition. We also show that in the sign-disordered regime a small magnetic field may enhance superconductivity in a random system of D -wave superconducting grains embedded in a metallic matrix. Finally, the existence of the sign phase transition in three dimensions implies new features in the spin-glass phase diagram at high temperature.

Thermodynamics and structural transition of binary atomic Bose-Fermi mixtures in box or harmonic potentials: A path-integral study

NASA Astrophysics Data System (ADS)

Kim, Tom; Chien, Chih-Chun

2018-03-01

Experimental realizations of a variety of atomic binary Bose-Fermi mixtures have brought opportunities for studying composite quantum systems with different spin statistics. The binary atomic mixtures can exhibit a structural transition from a mixture into phase separation as the boson-fermion interaction increases. By using a path-integral formalism to evaluate the grand partition function and the thermodynamic grand potential, we obtain the effective potential of binary Bose-Fermi mixtures. Thermodynamic quantities in a broad range of temperatures and interactions are also derived. The structural transition can be identified as a loop of the effective potential curve, and the volume fraction of phase separation can be determined by the lever rule. For 6Li-7Li and 6Li-41K mixtures, we present the phase diagrams of the mixtures in a box potential at zero and finite temperatures. Due to the flexible densities of atomic gases, the construction of phase separation is more complicated when compared to conventional liquid or solid mixtures where the individual densities are fixed. For harmonically trapped mixtures, we use the local density approximation to map out the finite-temperature density profiles and present typical trap structures, including the mixture, partially separated phases, and fully separated phases.

Dynamical transition for a particle in a squared Gaussian potential

NASA Astrophysics Data System (ADS)

Touya, C.; Dean, D. S.

2007-02-01

We study the problem of a Brownian particle diffusing in finite dimensions in a potential given by ψ = phi2/2 where phi is Gaussian random field. Exact results for the diffusion constant in the high temperature phase are given in one and two dimensions and it is shown to vanish in a power-law fashion at the dynamical transition temperature. Our results are confronted with numerical simulations where the Gaussian field is constructed, in a standard way, as a sum over random Fourier modes. We show that when the number of Fourier modes is finite the low temperature diffusion constant becomes non-zero and has an Arrhenius form. Thus we have a simple model with a fully understood finite size scaling theory for the dynamical transition. In addition we analyse the nature of the anomalous diffusion in the low temperature regime and show that the anomalous exponent agrees with that predicted by a trap model.

Quark-hadron phase structure of QCD matter from SU(4) Polyakov linear sigma model

NASA Astrophysics Data System (ADS)

Diab, Abdel Magied Abdel Aal; Tawfik, Abdel Nasser

2018-04-01

The SU(4) Polyakov linear sigma model (PLSM) is extended towards characterizing the chiral condensates, σl, σs and σc of light, strange and charm quarks, respectively and the deconfinement order-parameters φ and φ at finite temperatures and densities (chemical potentials). The PLSM is considered to study the QCD equation of state in the presence of the chiral condensate of charm for different finite chemical potentials. The PLSM results are in a good agreement with the recent lattice QCD simulations. We conclude that, the charm condensate is likely not affected by the QCD phase-transition, where the corresponding critical temperature is greater than that of the light and strange quark condensates.

Berezinskii-Kosterlitz-Thouless phase transition for the dilute planar rotator model on a triangular lattice

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

Sun Yunzhou; Yi Lin; Wysin, G. M.

2008-10-15

The Berezinskii-Kosterlitz-Thouless (BKT) phase transition for the dilute planar rotator model on a triangular lattice is studied by using a hybrid Monte Carlo method. The phase-transition temperatures for different nonmagnetic impurity densities are obtained by three approaches: finite-size scaling of plane magnetic susceptibility, helicity modulus, and Binder's fourth cumulant. It is found that the phase-transition temperature decreases with increasing impurity density {rho} and the BKT phase transition vanishes when the magnetic occupancy falls to the site percolation threshold: 1-{rho}{sub c}=p{sub c}=0.5.

Phase fluctuations in a strongly disordered s-wave NbN superconductor close to the metal-insulator transition.

PubMed

Mondal, Mintu; Kamlapure, Anand; Chand, Madhavi; Saraswat, Garima; Kumar, Sanjeev; Jesudasan, John; Benfatto, L; Tripathi, Vikram; Raychaudhuri, Pratap

2011-01-28

We explore the role of phase fluctuations in a three-dimensional s-wave superconductor, NbN, as we approach the critical disorder for destruction of the superconducting state. Close to critical disorder, we observe a finite gap in the electronic spectrum which persists at temperatures well above T(c). The superfluid density is strongly suppressed at low temperatures and evolves towards a linear-T variation at higher temperatures. These observations provide strong evidence that phase fluctuations play a central role in the formation of a pseudogap state in a disordered s-wave superconductor.

Chiral phase transition from string theory.

PubMed

Parnachev, Andrei; Sahakyan, David A

2006-09-15

The low energy dynamics of a certain D-brane configuration in string theory is described at weak t'Hooft coupling by a nonlocal version of the Nambu-Jona-Lasinio model. We study this system at finite temperature and strong t'Hooft coupling, using the string theory dual. We show that for sufficiently low temperatures chiral symmetry is broken, while for temperatures larger then the critical value, it gets restored. We compute the latent heat and observe that the phase transition is of the first order.

Warm and cold pasta phase in relativistic mean field theory

NASA Astrophysics Data System (ADS)

Avancini, S. S.; Menezes, D. P.; Alloy, M. D.; Marinelli, J. R.; Moraes, M. M. W.; Providência, C.

2008-07-01

In the present article we investigate the onset of the pasta phase with different parametrizations of the nonlinear Walecka model. At zero temperature two different methods are used, one based on coexistent phases and the other on the Thomas-Fermi approximation. At finite temperature only the coexistence phases method is used. npe matter with fixed proton fractions and in β equilibrium is studied. The pasta phase decreases with the increase of temperature. The internal pasta structure and the beginning of the homogeneous phase vary depending on the proton fraction (or the imposition of β equilibrium), on the method used, and on the chosen parametrization. It is shown that a good parametrization of the surface tension with dependence on the temperature, proton fraction, and geometry is essential to describe correctly large isospin asymmetries and the transition from pasta to homogeneous matter.

Quantum phase slip phenomenon in ultra-narrow superconducting nanorings

NASA Astrophysics Data System (ADS)

Arutyunov, Konstantin Yu.; Hongisto, Terhi T.; Lehtinen, Janne S.; Leino, Leena I.; Vasiliev, Alexander L.

2012-02-01

The smaller the system, typically - the higher is the impact of fluctuations. In narrow superconducting wires sufficiently close to the critical temperature Tc thermal fluctuations are responsible for the experimentally observable finite resistance. Quite recently it became possible to fabricate sub-10 nm superconducting structures, where the finite resistivity was reported within the whole range of experimentally obtainable temperatures. The observation has been associated with quantum fluctuations capable to quench zero resistivity in superconducting nanowires even at temperatures T-->0. Here we demonstrate that in tiny superconducting nanorings the same phenomenon is responsible for suppression of another basic attribute of superconductivity - persistent currents - dramatically affecting their magnitude, the period and the shape of the current-phase relation. The effect is of fundamental importance demonstrating the impact of quantum fluctuations on the ground state of a macroscopically coherent system, and should be taken into consideration in various nanoelectronic applications.

Absence of Cyclotron Resonance in the Anomalous Metallic Phase in InOx

NASA Astrophysics Data System (ADS)

Wang, Youcheng; Tamir, I.; Shahar, D.; Armitage, N. P.

2018-04-01

It is observed that many thin superconducting films with not too high disorder level (generally RN/□<2000 Ω ) placed in magnetic field show an anomalous metallic phase where the resistance is low but still finite as temperature goes to zero. Here we report in weakly disordered amorphous InOx thin films that this anomalous metal phase possesses no cyclotron resonance and hence non-Drude electrodynamics. The absence of a finite frequency resonant mode can be associated with a vanishing downstream component of the vortex current parallel to the supercurrent and an emergent particle-hole symmetry of this metal, which establishes its non-Fermi-liquid character.

Keldysh approach for nonequilibrium phase transitions in quantum optics: Beyond the Dicke model in optical cavities

NASA Astrophysics Data System (ADS)

Torre, Emanuele G. Dalla; Diehl, Sebastian; Lukin, Mikhail D.; Sachdev, Subir; Strack, Philipp

2013-02-01

We investigate nonequilibrium phase transitions for driven atomic ensembles interacting with a cavity mode and coupled to a Markovian dissipative bath. In the thermodynamic limit and at low frequencies, we show that the distribution function of the photonic mode is thermal, with an effective temperature set by the atom-photon interaction strength. This behavior characterizes the static and dynamic critical exponents of the associated superradiance transition. Motivated by these considerations, we develop a general Keldysh path-integral approach that allows us to study physically relevant nonlinearities beyond the idealized Dicke model. Using standard diagrammatic techniques, we take into account the leading-order corrections due to the finite number N of atoms. For finite N, the photon mode behaves as a damped classical nonlinear oscillator at finite temperature. For the atoms, we propose a Dicke action that can be solved for any N and correctly captures the atoms’ depolarization due to dissipative dephasing.

Finite-density transition line for QCD with 695 MeV dynamical fermions

NASA Astrophysics Data System (ADS)

Greensite, Jeff; Höllwieser, Roman

2018-06-01

We apply the relative weights method to SU(3) gauge theory with staggered fermions of mass 695 MeV at a set of temperatures in the range 151 ≤T ≤267 MeV , to obtain an effective Polyakov line action at each temperature. We then apply a mean field method to search for phase transitions in the effective theory at finite densities. The result is a transition line in the plane of temperature and chemical potential, with an end point at high temperature, as expected, but also a second end point at a lower temperature. We cannot rule out the possibilities that a transition line reappears at temperatures lower than the range investigated, or that the second end point is absent for light quarks.

Influence of a finite number of baffles on shell-and-tube heat exchanger performance

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

Shah, R.K.; Pignotti, A.

1997-01-01

In single-phase shell-and-tube heat exchangers, thermal performance prediction is customarily accomplished with an idealization that the number of baffles used is very large and can be assumed to approach infinity. Under this idealization, the temperature change within each baffle compartment is very small in comparison with the total temperature change of the shell fluid through the heat exchanger. Thus the shell fluid can be considered as uniform (perfectly mixed) at every cross section (in a direction normal to the shell axis). It is with this model that the mean temperature difference correction factor is normally derived for single-phase exchangers. Inmore » reality, a finite number of baffles are used, and the condition stated above can be achieved only partially. In this article, a comprehensive review is made and new results are derived where needed to assess the influence of a finite number of baffles on heat transfer performance for 1-1, 1-2, and 1-N TEMA E, 1-2 TEMA J, and 1-2 TEMA G and H single-phase shell-and-tube exchangers. It is shown that the number of baffles required to achieve the performance within about 2% of an exchanger with an infinite number of baffles varies with the type of exchanger and the performance parameters. The new results are presented in tabular form.« less

A numerical study on dual-phase-lag model of bio-heat transfer during hyperthermia treatment.

PubMed

Kumar, P; Kumar, Dinesh; Rai, K N

2015-01-01

The success of hyperthermia in the treatment of cancer depends on the precise prediction and control of temperature. It was absolutely a necessity for hyperthermia treatment planning to understand the temperature distribution within living biological tissues. In this paper, dual-phase-lag model of bio-heat transfer has been studied using Gaussian distribution source term under most generalized boundary condition during hyperthermia treatment. An approximate analytical solution of the present problem has been done by Finite element wavelet Galerkin method which uses Legendre wavelet as a basis function. Multi-resolution analysis of Legendre wavelet in the present case localizes small scale variations of solution and fast switching of functional bases. The whole analysis is presented in dimensionless form. The dual-phase-lag model of bio-heat transfer has compared with Pennes and Thermal wave model of bio-heat transfer and it has been found that large differences in the temperature at the hyperthermia position and time to achieve the hyperthermia temperature exist, when we increase the value of τT. Particular cases when surface subjected to boundary condition of 1st, 2nd and 3rd kind are discussed in detail. The use of dual-phase-lag model of bio-heat transfer and finite element wavelet Galerkin method as a solution method helps in precise prediction of temperature. Gaussian distribution source term helps in control of temperature during hyperthermia treatment. So, it makes this study more useful for clinical applications. Copyright © 2015 Elsevier Ltd. All rights reserved.

A description of phases with induced hybridisation at finite temperatures

NASA Astrophysics Data System (ADS)

Golosov, D. I.

2018-05-01

In an extended Falicov-Kimball model, an excitonic insulator phase can be stabilised at zero temperature. With increasing temperature, the excitonic order parameter (interaction-induced hybridisation on-site, characterised by the absolute value and phase) eventually becomes disordered, which involves fluctuations of both its phase and (at higher T) its absolute value. In order to build an adequate mean field description, it is important to clarify the nature of degrees of freedom associated with the phase and absolute value of the induced hybridisation, and the corresponding phase space volume. We show that a possible description is provided by the SU(4) parametrisation on-site. In principle, this allows to describe both the lower-temperature regime where phase fluctuations destroy the long-range order, and the higher temperature crossover corresponding to a decrease of absolute value of the hybridisation relative to the fluctuations level. This picture is also expected to be relevant in other contexts, including the Kondo lattice model.

Low-Temperature Criticality of Martensitic Transformations of Cu Nanoprecipitates in α-Fe

NASA Astrophysics Data System (ADS)

Erhart, Paul; Sadigh, Babak

2013-07-01

Nanoprecipitates form during nucleation of multiphase equilibria in phase segregating multicomponent systems. In spite of their ubiquity, their size-dependent physical chemistry, in particular, at the boundary between phases with incompatible topologies, is still rather arcane. Here, we use extensive atomistic simulations to map out the size-temperature phase diagram of Cu nanoprecipitates in α-Fe. The growing precipitates undergo martensitic transformations from the body-centered cubic (bcc) phase to multiply twinned 9R structures. At high temperatures, the transitions exhibit strong first-order character and prominent hysteresis. Upon cooling, the discontinuities become less pronounced and the transitions occur at ever smaller cluster sizes. Below 300 K, the hysteresis vanishes while the transition remains discontinuous with a finite but diminishing latent heat. This unusual size-temperature phase diagram results from the entropy generated by the soft modes of the bcc-Cu phase, which are stabilized through confinement by the α-Fe lattice.

Fulde–Ferrell superfluids in spinless ultracold Fermi gases

NASA Astrophysics Data System (ADS)

Zheng, Zhen-Fei; Guo, Guang-Can; Zheng, Zhen; Zou, Xu-Bo

2018-06-01

The Fulde–Ferrell (FF) superfluid phase, in which fermions form finite momentum Cooper pairings, is well studied in spin-singlet superfluids in past decades. Different from previous works that engineer the FF state in spinful cold atoms, we show that the FF state can emerge in spinless Fermi gases confined in optical lattice associated with nearest-neighbor interactions. The mechanism of the spinless FF state relies on the split Fermi surfaces by tuning the chemistry potential, which naturally gives rise to finite momentum Cooper pairings. The phase transition is accompanied by changed Chern numbers, in which, different from the conventional picture, the band gap does not close. By beyond-mean-field calculations, we find the finite momentum pairing is more robust, yielding the system promising for maintaining the FF state at finite temperature. Finally we present the possible realization and detection scheme of the spinless FF state.

Study of axial magnetic effect

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

Braguta, Victor; School of Biomedicine, Far Eastern Federal University, Ajax 10 Building 25, Russian island, Vladivostok, 690922; Chernodub, M. N.

2016-01-22

The Axial Magnetic Effect manifests itself as an equilibrium energy flow of massless fermions induced by the axial (chiral) magnetic field. Here we study the Axial Magnetic Effect in the quenched SU(2) lattice gauge theory with massless overlap fermions at finite temperature. We numerically observe that in the low-temperature hadron phase the effect is absent due to the quark confinement. In the high-temperature deconfinement phase the energy flow is an increasing function of the temperature which reaches the predicted asymptotic T{sup 2} behavior at high temperatures. We find, however, that energy flow is about one order of magnitude lower comparedmore » to a theoretical prediction.« less

Collective many-body bounce in the breathing-mode oscillations of a finite-temperature Tonks-Girardeau gas

NASA Astrophysics Data System (ADS)

Kheruntsyan, Karen; Atas, Yasar; Bouchoule, Isabelle; Gangardt, Dimitri

2017-04-01

We analyse the breathing-mode oscillations of a harmonically quenched Tonks-Giradeau (TG) gas using an exact finite-temperature dynamical theory. We predict a striking collective manifestation of impenetrability-a collective many-body bounce effect. The effect, while being invisible in the evolution of the in situ density profile of the gas, can be revealed through a nontrivial periodic narrowing of its momentum distribution, taking place at twice the rate of the fundamental breathing-mode frequency of oscillations of the density profile. We identify physical regimes for observing the many-body bounce and construct the respective nonequilibrium phase diagram as a function of the quench strength and the initial equilibrium temperature of the gas. We also develop a finite-temperature hydrodynamic theory of the TG gas, wherein the many-body bounce is explained by an increased thermodynamic pressure during the isentropic compression cycle, which acts as a potential barrier for the particles to bounce off.

Dynamic stimulation of quantum coherence in systems of lattice bosons.

PubMed

Robertson, Andrew; Galitski, Victor M; Refael, Gil

2011-04-22

Thermal fluctuations tend to destroy long-range phase correlations. Consequently, bosons in a lattice will undergo a transition from a phase-coherent superfluid as the temperature rises. Contrary to common intuition, however, we show that nonequilibrium driving can be used to reverse this thermal decoherence. This is possible because the energy distribution at equilibrium is rarely optimal for the manifestation of a given quantum property. We demonstrate this in the Bose-Hubbard model by calculating the nonequilibrium spatial correlation function with periodic driving. We show that the nonequilibrium phase boundary between coherent and incoherent states at finite bath temperatures can be made qualitatively identical to the familiar zero-temperature phase diagram, and we discuss the experimental manifestation of this phenomenon in cold atoms.

Further analytical study of hybrid rocket combustion

NASA Technical Reports Server (NTRS)

Hung, W. S. Y.; Chen, C. S.; Haviland, J. K.

1972-01-01

Analytical studies of the transient and steady-state combustion processes in a hybrid rocket system are discussed. The particular system chosen consists of a gaseous oxidizer flowing within a tube of solid fuel, resulting in a heterogeneous combustion. Finite rate chemical kinetics with appropriate reaction mechanisms were incorporated in the model. A temperature dependent Arrhenius type fuel surface regression rate equation was chosen for the current study. The governing mathematical equations employed for the reacting gas phase and for the solid phase are the general, two-dimensional, time-dependent conservation equations in a cylindrical coordinate system. Keeping the simplifying assumptions to a minimum, these basic equations were programmed for numerical computation, using two implicit finite-difference schemes, the Lax-Wendroff scheme for the gas phase, and, the Crank-Nicolson scheme for the solid phase.

QCD at finite isospin chemical potential

NASA Astrophysics Data System (ADS)

Brandt, Bastian B.; Endrődi, Gergely; Schmalzbauer, Sebastian

2018-03-01

We investigate the properties of QCD at finite isospin chemical potential at zero and non-zero temperatures. This theory is not affected by the sign problem and can be simulated using Monte-Carlo techniques. With increasing isospin chemical potential and temperatures below the deconfinement transition the system changes into a phase where charged pions condense, accompanied by an accumulation of low modes of the Dirac operator. The simulations are enabled by the introduction of a pionic source into the action, acting as an infrared regulator for the theory, and physical results are obtained by removing the regulator via an extrapolation. We present an update of our study concerning the associated phase diagram using 2+1 flavours of staggered fermions with physical quark masses and the comparison to Taylor expansion. We also present first results for our determination of the equation of state at finite isospin chemical potential and give an example for a cosmological application. The results can also be used to gain information about QCD at small baryon chemical potentials using reweighting with respect to the pionic source parameter and the chemical potential and we present first steps in this direction.

Fluctuations and correlations of conserved charges in QCD at finite temperature with effective models

NASA Astrophysics Data System (ADS)

Fu, Wei-Jie; Liu, Yu-Xin; Wu, Yue-Liang

2010-01-01

We study fluctuations of conserved charges including baryon number, electric charge, and strangeness as well as the correlations among these conserved charges in the 2+1 flavor Polyakov-Nambu-Jona-Lasinio model at finite temperature. The calculated results are compared with those obtained from recent lattice calculations performed with an improved staggered fermion action at two values of the lattice cutoff with almost physical up and down quark masses and a physical value for the strange quark mass. We find that our calculated results are well consistent with those obtained in lattice calculations except for some quantitative differences for fluctuations related with strange quarks. Our calculations indicate that there is a pronounced cusp in the ratio of the quartic to quadratic fluctuations of baryon number, i.e. χ4B/χ2B, at the critical temperature during the phase transition, which confirms that χ4B/χ2B is a useful probe of the deconfinement and chiral phase transition.

Modified Hartree-Fock-Bogoliubov theory at finite temperature

NASA Astrophysics Data System (ADS)

Dinh Dang, Nguyen; Arima, Akito

2003-07-01

The modified Hartree-Fock-Bogoliubov (MHFB) theory at finite temperature is derived, which conserves the unitarity relation of the particle-density matrix. This is achieved by constructing a modified-quasiparticle-density matrix, where the fluctuation of the quasiparticle number is microscopically built in. This matrix can be directly obtained from the usual quasiparticle-density matrix by applying the secondary Bogoliubov transformation, which includes the quasiparticle-occupation number. It is shown that, in the limit of constant pairing parameter, the MHFB theory yields the previously obtained modified BCS (MBCS) equations. It is also proved that the modified quasiparticle-random-phase approximation, which is based on the MBCS quasiparticle excitations, conserves the Ikeda sum rule. The numerical calculations of the pairing gap, heat capacity, level density, and level-density parameter within the MBCS theory are carried out for 120Sn. The results show that the superfluid-normal phase transition is completely washed out. The applicability of the MBCS up to a temperature as high as T˜5 MeV is analyzed in detail.

Can a pseudo-Nambu-Goldstone Higgs lead to symmetry non-restoration?

NASA Astrophysics Data System (ADS)

Kilic, Can; Swaminathan, Sivaramakrishnan

2016-01-01

The calculation of finite temperature contributions to the scalar potential in a quantum field theory is similar to the calculation of loop corrections at zero temperature. In natural extensions of the Standard Model where loop corrections to the Higgs potential cancel between Standard Model degrees of freedom and their symmetry partners, it is interesting to contemplate whether finite temperature corrections also cancel, raising the question of whether a broken phase of electroweak symmetry may persist at high temperature. It is well known that this does not happen in supersymmetric theories because the thermal contributions of bosons and fermions do not cancel each other. However, for theories with same spin partners, the answer is less obvious. Using the Twin Higgs model as a benchmark, we show that although thermal corrections do cancel at the level of quadratic divergences, subleading corrections still drive the system to a restored phase. We further argue that our conclusions generalize to other well-known extensions of the Standard Model where the Higgs is rendered natural by being the pseudo-Nambu-Goldstone mode of an approximate global symmetry.

Heat pipe dynamic behavior

NASA Technical Reports Server (NTRS)

Issacci, F.; Roche, G. L.; Klein, D. B.; Catton, I.

1988-01-01

The vapor flow in a heat pipe was mathematically modeled and the equations governing the transient behavior of the core were solved numerically. The modeled vapor flow is transient, axisymmetric (or two-dimensional) compressible viscous flow in a closed chamber. The two methods of solution are described. The more promising method failed (a mixed Galerkin finite difference method) whereas a more common finite difference method was successful. Preliminary results are presented showing that multi-dimensional flows need to be treated. A model of the liquid phase of a high temperature heat pipe was developed. The model is intended to be coupled to a vapor phase model for the complete solution of the heat pipe problem. The mathematical equations are formulated consistent with physical processes while allowing a computationally efficient solution. The model simulates time dependent characteristics of concern to the liquid phase including input phase change, output heat fluxes, liquid temperatures, container temperatures, liquid velocities, and liquid pressure. Preliminary results were obtained for two heat pipe startup cases. The heat pipe studied used lithium as the working fluid and an annular wick configuration. Recommendations for implementation based on the results obtained are presented. Experimental studies were initiated using a rectangular heat pipe. Both twin beam laser holography and laser Doppler anemometry were investigated. Preliminary experiments were completed and results are reported.

Characteristics of energy harvesting using BaTiO3/Cu laminates with changes in temperature

NASA Astrophysics Data System (ADS)

Mori, K.; Takeuchi, H.; Narita, F.

2018-03-01

The energy harvesting characteristics of piezoelectric/copper (BaTiO3/Cu) laminates rising from sharp temperature changes were investigated both numerically and experimentally. First, a phase field simulation was performed to determine the temperature-dependent piezoelectric coefficient and permittivity values. Then, the output voltages of the BaTiO3/Cu laminates were calculated for variations from room temperature to either a cryogenic temperature (77 K) or a higher temperature (333 K) using a 3D finite element simulation with the properties calculated from the phase field simulation. Finally, the output voltages of the piezoelectric BaTiO3/Cu laminates were measured for the same temperature changes and were compared to the simulation results.

Nanoscale multiphase phase field approach for stress- and temperature-induced martensitic phase transformations with interfacial stresses at finite strains

NASA Astrophysics Data System (ADS)

Basak, Anup; Levitas, Valery I.

2018-04-01

A thermodynamically consistent, novel multiphase phase field approach for stress- and temperature-induced martensitic phase transformations at finite strains and with interfacial stresses has been developed. The model considers a single order parameter to describe the austenite↔martensitic transformations, and another N order parameters describing N variants and constrained to a plane in an N-dimensional order parameter space. In the free energy model coexistence of three or more phases at a single material point (multiphase junction), and deviation of each variant-variant transformation path from a straight line have been penalized. Some shortcomings of the existing models are resolved. Three different kinematic models (KMs) for the transformation deformation gradient tensors are assumed: (i) In KM-I the transformation deformation gradient tensor is a linear function of the Bain tensors for the variants. (ii) In KM-II the natural logarithms of the transformation deformation gradient is taken as a linear combination of the natural logarithm of the Bain tensors multiplied with the interpolation functions. (iii) In KM-III it is derived using the twinning equation from the crystallographic theory. The instability criteria for all the phase transformations have been derived for all the kinematic models, and their comparative study is presented. A large strain finite element procedure has been developed and used for studying the evolution of some complex microstructures in nanoscale samples under various loading conditions. Also, the stresses within variant-variant boundaries, the sample size effect, effect of penalizing the triple junctions, and twinned microstructures have been studied. The present approach can be extended for studying grain growth, solidifications, para↔ferro electric transformations, and diffusive phase transformations.

Finite-element simulation of ceramic drying processes

NASA Astrophysics Data System (ADS)

Keum, Y. T.; Jeong, J. H.; Auh, K. H.

2000-07-01

A finite-element simulation for the drying process of ceramics is performed. The heat and moisture movements in green ceramics caused by the temperature gradient, moisture gradient, conduction, convection and evaporation are considered. The finite-element formulation for solving the temperature and moisture distributions, which not only change the volume but also induce the hygro-thermal stress, is carried out. Employing the internally discontinuous interface elements, the numerical divergence problem arising from sudden changes in heat capacity in the phase zone is solved. In order to verify the reliability of the formulation, the drying process of a coal and the wetting process of a graphite epoxy are simulated and the results are compared with the analytical solution and another investigator's result. Finally, the drying process of a ceramic electric insulator is simulated.

Phase stability of TiO 2 polymorphs from diffusion Quantum Monte Carlo

DOE PAGES

Luo, Ye; Benali, Anouar; Shulenburger, Luke; ...

2016-11-24

Titanium dioxide, TiO 2, has multiple applications in catalysis, energy conversion and memristive devices because of its electronic structure. Most of applications utilize the naturally existing phases: rutile, anatase and brookite. In spite of the simple form of TiO 2 and its wide uses, there is long- standing disagreement between theory and experiment on the energetic ordering of these phases that has never been resolved. We present the first analysis of phase stability at zero temperature using the highly accurate many-body fixed node diffusion Quantum Monte Carlo (QMC) method. We include temperature effects by calculating the Helmholtz free energy includingmore » both internal energy corrected by QMC and vibrational contributions from phonon calculations within the quasi harmonic approximation via density functional perturbation theory. Our QMC calculations find that anatase is the most stable phase at zero temperature, consistent with many previous mean- field calculations. Furthermore, at elevated temperatures, rutile becomes the most stable phase. For all finite temperatures, brookite is always the least stable phase.« less

Three-phase compositional modeling of CO2 injection by higher-order finite element methods with CPA equation of state for aqueous phase

NASA Astrophysics Data System (ADS)

Moortgat, Joachim; Li, Zhidong; Firoozabadi, Abbas

2012-12-01

Most simulators for subsurface flow of water, gas, and oil phases use empirical correlations, such as Henry's law, for the CO2 composition in the aqueous phase, and equations of state (EOS) that do not represent the polar interactions between CO2and water. Widely used simulators are also based on lowest-order finite difference methods and suffer from numerical dispersion and grid sensitivity. They may not capture the viscous and gravitational fingering that can negatively affect hydrocarbon (HC) recovery, or aid carbon sequestration in aquifers. We present a three-phase compositional model based on higher-order finite element methods and incorporate rigorous and efficient three-phase-split computations for either three HC phases or water-oil-gas systems. For HC phases, we use the Peng-Robinson EOS. We allow solubility of CO2in water and adopt a new cubic-plus-association (CPA) EOS, which accounts for cross association between H2O and CO2 molecules, and association between H2O molecules. The CPA-EOS is highly accurate over a broad range of pressures and temperatures. The main novelty of this work is the formulation of a reservoir simulator with new EOS-based unique three-phase-split computations, which satisfy both the equalities of fugacities in all three phases and the global minimum of Gibbs free energy. We provide five examples that demonstrate twice the convergence rate of our method compared with a finite difference approach, and compare with experimental data and other simulators. The examples consider gravitational fingering during CO2sequestration in aquifers, viscous fingering in water-alternating-gas injection, and full compositional modeling of three HC phases.

Simulation on Thermocapillary-Driven Drop Coalescence by Hybrid Lattice Boltzmann Method

NASA Astrophysics Data System (ADS)

Xie, Haiqiong; Zeng, Zhong; Zhang, Liangqi; Yokota, Yuui; Kawazoe, Yoshiyuki; Yoshikawa, Akira

2016-04-01

A hybrid two-phase model, incorporating lattice Boltzmann method (LBM) and finite difference method (FDM), was developed to investigate the coalescence of two drops during their thermocapillary migration. The lattice Boltzmann method with a multi-relaxation-time (MRT) collision model was applied to solve the flow field for incompressible binary fluids, and the method was implemented in an axisymmetric form. The deformation of the drop interface was captured with the phase-field theory, and the continuum surface force model (CSF) was adopted to introduce the surface tension, which depends on the temperature. Both phase-field equation and the energy equation were solved with the finite difference method. The effects of Marangoni number and Capillary numbers on the drop's motion and coalescence were investigated.

Finite Atwood Number Effects on Deceleration-Phase Instability in Room-Temperature Direct-Drive Implosions

NASA Astrophysics Data System (ADS)

Miller, S.; Knauer, J. P.; Radha, P. B.; Goncharov, V. N.

2017-10-01

Performance degradation in direct-drive inertial confinement fusion implosions can be caused by several effects, one of which is Rayleigh-Taylor (RT) instability growth during the deceleration phase. In room-temperature plastic target implosions, this deceleration-phase RT growth is enhanced by the density discontinuity and finite Atwood numbers at the fuel-pusher interface. For the first time, an experimental campaign at the Omega Laser Facility systematically varied the ratio of deuterium-to-tritium (D-to-T) within the DT gas fill to change the Atwood number. The goal of the experiment was to understand the effects of Atwood number variation on observables like apparent ion temperature, yield, and variations in areal density and bulk fluid motion, which lead to broadening of neutron spectra along different lines of sight. Simulations by the hydrodynamic codes LILAC and DRACO were used to study growth rates for different D-to-T ratios and identify observable quantities effected by Atwood number variation. Results from simulations and the experiment are presented. This material is based upon work supported by the Department of Energy National Nuclear Security Administration under Award Number DE-NA0001944.

Probing noncommutativities of phase space by using persistent charged current and its asymmetry

NASA Astrophysics Data System (ADS)

Ma, Kai; Ren, Ya-Jie; Wang, Ya-Hui

2018-06-01

Nontrivial algebra structures of the coordinate and momentum operators are potentially important for describing possible new physics. The persistent charged current in a metal ring is expected to be sensitive to the nontrivial dynamics due to noncommutativities of phase space. In this paper, we propose a new asymmetric observable for probing the noncommutativity of momentum operators. We also analyzed the temperature dependence of this observable, and we find that the asymmetry holds at a finite temperature. The critical temperature, above which the correction due to coordinate noncommutativity is negligible, is also derived.

Stochastic series expansion simulation of the t -V model

NASA Astrophysics Data System (ADS)

Wang, Lei; Liu, Ye-Hua; Troyer, Matthias

2016-04-01

We present an algorithm for the efficient simulation of the half-filled spinless t -V model on bipartite lattices, which combines the stochastic series expansion method with determinantal quantum Monte Carlo techniques widely used in fermionic simulations. The algorithm scales linearly in the inverse temperature, cubically with the system size, and is free from the time-discretization error. We use it to map out the finite-temperature phase diagram of the spinless t -V model on the honeycomb lattice and observe a suppression of the critical temperature of the charge-density-wave phase in the vicinity of a fermionic quantum critical point.

BCS to BEC evolution for mixtures of fermions with unequal masses

NASA Astrophysics Data System (ADS)

de Melo, Carlos A. R. Sa

2009-03-01

I discuss the zero and finite temperature phase diagrams of a mixture of fermions with unequal masses with and without population imbalance, which may correspond for example to mixtures of ^6Li and ^40K, ^6Li and ^87Sr, or ^40K and ^87Sr in the context of ultracold atoms. At zero temperature and when excess fermions are present, at least three phases may occur as the interaction parameter is changed from the BCS to the BEC regime. These phases correspond to normal, phase separation, or superfluid with coexistence between paired and excess fermions. The zero temperature phase diagram of population imbalance versus interaction parameter presents a remarkable asymmetry between the cases involving excess lighter or heavier fermions [1, 2], in sharp contrast with the symmetric phase diagram corresponding to the case of equal masses. At finite temperatures, the phase separation region of the phase diagram competes with superfluid regions possessing gapless elementary excitations [3] for certain ranges of the interaction parameter depending on the mass ratio. Furthermore, a phase transition may take place between two superfluid phases which are topologically distinct. The precise location of such transition is sensitive to the mass ratio between the two species of fermions. Signatures of this possible topological transition are present in the momentum distribution or structure factor, which may be measured experimentally in time-of-flight or through Bragg scattering, respectively. Lastly, throughout the evolution from BCS to BEC, I discuss the critical current and sound velocity for unequal mass systems as a function of interaction parameter and mass ratio. These quantities may also be measured via the same techniques already used in mixtures of fermions with equal masses. [1] M. Iskin, and C. A. R. Sa de Melo, Phys. Rev. Lett. 97, 100404 (2006). [2] M. Iskin and C. A. R. Sa de Melo, Phys. Rev. A 76, 013601 (2007). [3] Li Han, and C. A. R. Sa de Melo, arXiv:0812.xxxx

Detecting temperature fluctuations at equilibrium.

PubMed

Dixit, Purushottam D

2015-05-21

The Gibbs and the Boltzmann definition of temperature agree only in the macroscopic limit. The ambiguity in identifying the equilibrium temperature of a finite-sized 'small' system exchanging energy with a bath is usually understood as a limitation of conventional statistical mechanics. We interpret this ambiguity as resulting from a stochastically fluctuating temperature coupled with the phase space variables giving rise to a broad temperature distribution. With this ansatz, we develop the equilibrium statistics and dynamics of small systems. Numerical evidence using an analytically tractable model shows that the effects of temperature fluctuations can be detected in the equilibrium and dynamical properties of the phase space of the small system. Our theory generalizes statistical mechanics to small systems relevant in biophysics and nanotechnology.

Symmetry breaking and the geometry of reduced density matrices

NASA Astrophysics Data System (ADS)

Zauner, V.; Draxler, D.; Vanderstraeten, L.; Haegeman, J.; Verstraete, F.

2016-11-01

The concept of symmetry breaking and the emergence of corresponding local order parameters constitute the pillars of modern day many body physics. We demonstrate that the existence of symmetry breaking is a consequence of the geometric structure of the convex set of reduced density matrices of all possible many body wavefunctions. The surfaces of these convex bodies exhibit non-analyticities, which signal the emergence of symmetry breaking and of an associated order parameter and also show different characteristics for different types of phase transitions. We illustrate this with three paradigmatic examples of many body systems exhibiting symmetry breaking: the quantum Ising model, the classical q-state Potts model in two-dimensions at finite temperature and the ideal Bose gas in three-dimensions at finite temperature. This state based viewpoint on phase transitions provides a unique novel tool for studying exotic many body phenomena in quantum and classical systems.

Equation of State of Structured Matter at Finite Temperature

NASA Astrophysics Data System (ADS)

Maruyama, T.; Yasutake, N.; Tatsumi, T.

We investigate the properties of nuclear matter at the first-order phase transitions such as liquid-gas phase transition and hadron-quark phase transition. As a general feature of the first-order phase transitions of matter consisting of many species of charged particles, there appears a mixed phases with geometrical structures called ``pasta'' due to the balance of the Coulomb repulsion and the surface tension between two phases [G.~D.~Ravenhall, C.~J.~Pethick and J.~R.~Wilson, Phys. Rev. Lett. 50 (1983), 2066. M.~Hashimoto, H.~Seki and M.~Yamada, Prog. Theor. Phys. 71 (1984), 320.] The equation of state (EOS) of mixed phase is different from the one obtained by a bulk application of the Gibbs conditions or by the Maxwell construction due to the effects of the non-uniform structure. We show that the charge screening and strong surface tension make the EOS close to that of the Maxwell construction. The thermal effects are elucidated as well as the above finite-size effects.

Protecting a quantum state from environmental noise by an incompatible finite-time measurement

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

Brasil, Carlos Alexandre; Castro, L. A. de; Napolitano, R. d. J.

We show that measurements of finite duration performed on an open two-state system can protect the initial state from a phase-noisy environment, provided the measured observable does not commute with the perturbing interaction. When the measured observable commutes with the environmental interaction, the finite-duration measurement accelerates the rate of decoherence induced by the phase noise. For the description of the measurement of an observable that is incompatible with the interaction between system and environment, we have found an approximate analytical expression, valid at zero temperature and weak coupling with the measuring device. We have tested the validity of the analyticalmore » predictions against an exact numerical approach, based on the superoperator-splitting method, that confirms the protection of the initial state of the system. When the coupling between the system and the measuring apparatus increases beyond the range of validity of the analytical approximation, the initial state is still protected by the finite-time measurement, according with the exact numerical calculations.« less

Finite-temperature lattice dynamics and superionic transition in ceria from first principles

NASA Astrophysics Data System (ADS)

Klarbring, Johan; Skorodumova, Natalia V.; Simak, Sergei I.

2018-03-01

Ab initio molecular dynamics (AIMD) in combination with the temperature dependent effective potential (TDEP) method has been used to go beyond the quasiharmonic approximation and study the lattice dynamics in ceria, CeO2, at finite temperature. The results indicate that the previously proposed connection between the B1 u phonon mode turning imaginary and the transition to the superionic phase in fluorite structured materials is an artifact of the failure of the quasiharmonic approximation in describing the lattice dynamics at elevated temperatures. We instead show that, in the TDEP picture, a phonon mode coupling to the Eu mode prevents the B1 u mode from becoming imaginary. We directly observe the superionic transition at high temperatures in our AIMD simulations and find that it is initiated by the formation of oxygen Frenkel pairs (FP). These FP are found to form in a collective process involving simultaneous motion of two oxygen ions.

Kosterlitz-Thouless transition and vortex-antivortex lattice melting in two-dimensional Fermi gases with p - or d -wave pairing

NASA Astrophysics Data System (ADS)

Cao, Gaoqing; He, Lianyi; Huang, Xu-Guang

2017-12-01

We present a theoretical study of the finite-temperature Kosterlitz-Thouless (KT) and vortex-antivortex lattice (VAL) melting transitions in two-dimensional Fermi gases with p - or d -wave pairing. For both pairings, when the interaction is tuned from weak to strong attractions, we observe a quantum phase transition from the Bardeen-Cooper-Schrieffer (BCS) superfluidity to the Bose-Einstein condensation (BEC) of difermions. The KT and VAL transition temperatures increase during this BCS-BEC transition and approach constant values in the deep BEC region. The BCS-BEC transition is characterized by the nonanalyticities of the chemical potential, the superfluid order parameter, and the sound velocities as functions of the interaction strength at both zero and finite temperatures; however, the temperature effect tends to weaken the nonanalyticities compared to the zero-temperature case. The effect of mismatched Fermi surfaces on the d -wave pairing is also studied.

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

Kubo, Jisuke; Yamada, Masatoshi; Institut für Theoretische Physik, Universität Heidelberg,Philosophenweg 16, 69120 Heidelberg

We assume that the origin of the electroweak (EW) scale is a gauge-invariant scalar-bilinear condensation in a strongly interacting non-abelian gauge sector, which is connected to the standard model via a Higgs portal coupling. The dynamical scale genesis appears as a phase transition at finite temperature, and it can produce a gravitational wave (GW) background in the early Universe. We find that the critical temperature of the scale phase transition lies above that of the EW phase transition and below few O(100) GeV and it is strongly first-order. We calculate the spectrum of the GW background and find the scalemore » phase transition is strong enough that the GW background can be observed by DECIGO.« less

Principal component analysis for fermionic critical points

NASA Astrophysics Data System (ADS)

Costa, Natanael C.; Hu, Wenjian; Bai, Z. J.; Scalettar, Richard T.; Singh, Rajiv R. P.

2017-11-01

We use determinant quantum Monte Carlo (DQMC), in combination with the principal component analysis (PCA) approach to unsupervised learning, to extract information about phase transitions in several of the most fundamental Hamiltonians describing strongly correlated materials. We first explore the zero-temperature antiferromagnet to singlet transition in the periodic Anderson model, the Mott insulating transition in the Hubbard model on a honeycomb lattice, and the magnetic transition in the 1/6-filled Lieb lattice. We then discuss the prospects for learning finite temperature superconducting transitions in the attractive Hubbard model, for which there is no sign problem. Finally, we investigate finite temperature charge density wave (CDW) transitions in the Holstein model, where the electrons are coupled to phonon degrees of freedom, and carry out a finite size scaling analysis to determine Tc. We examine the different behaviors associated with Hubbard-Stratonovich auxiliary field configurations on both the entire space-time lattice and on a single imaginary time slice, or other quantities, such as equal-time Green's and pair-pair correlation functions.

Local structural ordering in surface-confined liquid crystals

NASA Astrophysics Data System (ADS)

Śliwa, I.; Jeżewski, W.; Zakharov, A. V.

2017-06-01

The effect of the interplay between attractive nonlocal surface interactions and attractive pair long-range intermolecular couplings on molecular structures of liquid crystals confined in thin cells with flat solid surfaces has been studied. Extending the McMillan mean field theory to include finite systems, it has been shown that confining surfaces can induce complex orientational and translational ordering of molecules. Typically, local smectic A, nematic, and isotropic phases have been shown to coexist in certain temperature ranges, provided that confining cells are sufficiently thick, albeit finite. Due to the nonlocality of surface interactions, the spatial arrangement of these local phases can display, in general, an unexpected complexity along the surface normal direction. In particular, molecules located in the vicinity of surfaces can still be organized in smectic layers, even though nematic and/or isotropic order can simultaneously appear in the interior of cells. The resulting surface freezing of smectic layers has been confirmed to occur even for rather weak surface interactions. The surface interactions cannot, however, prevent smectic layers from melting relatively close to system boundaries, even when molecules are still arranged in layers within the central region of the system. The internal interfaces, separating individual liquid-crystal phases, are demonstrated here to form fronts of local finite-size transitions that move across cells under temperature changes. Although the complex molecular ordering in surface confined liquid-crystal systems can essentially be controlled by temperature variations, specific thermal properties of these systems, especially the nature of the local transitions, are argued to be strongly conditioned to the degree of molecular packing.

Anomalous glassy dynamics in simple models of dense biological tissue

NASA Astrophysics Data System (ADS)

Sussman, Daniel M.; Paoluzzi, M.; Marchetti, M. Cristina; Manning, M. Lisa

2018-02-01

In order to understand the mechanisms for glassy dynamics in biological tissues and shed light on those in non-biological materials, we study the low-temperature disordered phase of 2D vertex-like models. Recently it has been noted that vertex models have quite unusual behavior in the zero-temperature limit, with rigidity transitions that are controlled by residual stresses and therefore exhibit very different scaling and phenomenology compared to particulate systems. Here we investigate the finite-temperature phase of two-dimensional Voronoi and Vertex models, and show that they have highly unusual, sub-Arrhenius scaling of dynamics with temperature. We connect the anomalous glassy dynamics to features of the potential energy landscape associated with zero-temperature inherent states.

First principles calculation of finite temperature magnetism in Fe and Fe3C

NASA Astrophysics Data System (ADS)

Eisenbach, M.; Nicholson, D. M.; Rusanu, A.; Brown, G.

2011-04-01

Density functional calculations have proven to be a useful tool in the study of ground state properties of many materials. The investigation of finite temperature magnetism, on the other hand, has to rely usually on the usage of empirical models that allow the large number of evaluations of the systems Hamiltonian that are required to obtain the phase space sampling needed to obtain the free energy, specific heat, magnetization, susceptibility, and other quantities as function of temperature. We have demonstrated a solution to this problem that harnesses the computational power of today's large massively parallel computers by combining a classical Wang-Landau Monte-Carlo calculation [F. Wang and D. P. Landau, Phys. Rev. Lett. 86, 2050 (2001)] with our first principles multiple scattering electronic structure code [Y. Wang et al., Phys. Rev. Lett. 75, 2867 (1995)] that allows the energy calculation of constrained magnetic states [M. Eisenbach et al., Proceedings of the Conference on High Performance Computing, Networking, Storage and Analysis (ACM, New York, 2009)]. We present our calculations of finite temperature properties of Fe and Fe3C using this approach and we find the Curie temperatures to be 980 and 425K, respectively.

Finite-size scaling analysis on the phase transition of a ferromagnetic polymer chain model

NASA Astrophysics Data System (ADS)

Luo, Meng-Bo

2006-01-01

The finite-size scaling analysis method is applied to study the phase transition of a self-avoiding walking polymer chain with spatial nearest-neighbor ferromagnetic Ising interaction on the simple cubic lattice. Assuming the scaling M2(T,n)=n-2β/ν[Φ0+Φ1n1/ν(T-Tc)+O(n2/ν(T-Tc)2)] with the square magnetization M2 as the order parameter and the chain length n as the size, we estimate the second-order phase-transition temperature Tc=1.784J/kB and critical exponents 2β/ν≈0.668 and ν ≈1.0. The self-diffusion constant and the chain dimensions ⟨R2⟩ and ⟨S2⟩ do not obey such a scaling law.

The application of rational approximation in the calculation of a temperature field with a non-linear surface heat-transfer coefficient during quenching for 42CrMo steel cylinder

NASA Astrophysics Data System (ADS)

Cheng, Heming; Huang, Xieqing; Fan, Jiang; Wang, Honggang

1999-10-01

The calculation of a temperature field has a great influence upon the analysis of thermal stresses and stains during quenching. In this paper, a 42CrMo steel cylinder was used an example for investigation. From the TTT diagram of the 42CrMo steel, the CCT diagram was simulated by mathematical transformation, and the volume fraction of phase constituents was calculated. The thermal physical properties were treated as functions of temperature and the volume fraction of phase constituents. The rational approximation was applied to the finite element method. The temperature field with phase transformation and non-linear surface heat-transfer coefficients was calculated using this technique, which can effectively avoid oscillationin the numerical solution for a small time step. The experimental results of the temperature field calculation coincide with the numerical solutions.

First principles investigation of structural, vibrational and thermal properties of black and blue phosphorene

NASA Astrophysics Data System (ADS)

Arif Khalil, R. M.; Ahmad, Javed; Rana, Anwar Manzoor; Bukhari, Syed Hamad; Tufiq Jamil, M.; Tehreem, Tuba; Nissar, Umair

2018-05-01

In this investigation, structural, dynamical and thermal properties of black and blue phosphorene (P) are presented through the first principles calculations based on the density functional theory (DFT). These DFT calculations depict that due to the approximately same values of ground state energy at zero Kelvin and Helmholtz free energy at room-temperature, it is expected that both structures can coexist at transition temperature. Lattice dynamics of both phases were investigated by using the finite displacement supercell approach. It is noticed on the basis of harmonic approximation thermodynamic calculations that the blue phase is thermodynamically more stable than the black phase above 155 K.

Finite-size behaviour of generalized susceptibilities in the whole phase plane of the Potts model

NASA Astrophysics Data System (ADS)

Pan, Xue; Zhang, Yanhua; Chen, Lizhu; Xu, Mingmei; Wu, Yuanfang

2018-01-01

We study the sign distribution of generalized magnetic susceptibilities in the temperature-external magnetic field plane using the three-dimensional three-state Potts model. We find that the sign of odd-order susceptibility is opposite in the symmetric (disorder) and broken (order) phases, but that of the even-order one remains positive when it is far away from the phase boundary. When the critical point is approached from the crossover side, negative fourth-order magnetic susceptibility is observable. It is also demonstrated that non-monotonic behavior occurs in the temperature dependence of the generalized susceptibilities of the energy. The finite-size scaling behavior of the specific heat in this model is mainly controlled by the critical exponent of the magnetic susceptibility in the three-dimensional Ising universality class. Supported by Fund Project of National Natural Science Foundation of China (11647093, 11405088, 11521064), Fund Project of Sichuan Provincial Department of Education (16ZB0339), Fund Project of Chengdu Technological University (2016RC004) and the Major State Basic Research Development Program of China (2014CB845402)

Confined phase in the real time formalism and the fate of the world behind the horizon

NASA Astrophysics Data System (ADS)

Furuuchi, Kazuyuki

2006-02-01

In the real time formulation of finite temperature field theories, one introduces an additional set of fields (type-2 fields) associated to each field in the original theory (type-1 field). In [J. M. Maldacena, J. High Energy Phys., JHEPFG, 1029-8479 04 (2003) 021., 10.1088/1126-6708/2003/04/021], in the context of the anti-de Sitter (AdS)-conformal field theories (CFT) correspondence, Maldacena interpreted type-2 fields as living on a boundary behind the black hole horizon. However, below the Hawking-Page transition temperature, the thermodynamically preferred configuration is the thermal AdS without a black hole, and hence there are no horizon and boundary behind it. This means that when the dual gauge theory is in confined phase, the type-2 fields cannot be associated with the degrees of freedom behind the black hole horizon. I argue that in this case the role of the type-2 fields is to make up bulk type-2 fields of classical closed string field theory on AdS at finite temperature in the real time formalism.

Purely hydrodynamic ordering of rotating disks at a finite Reynolds number.

PubMed

Goto, Yusuke; Tanaka, Hajime

2015-01-28

Self-organization of moving objects in hydrodynamic environments has recently attracted considerable attention in connection to natural phenomena and living systems. However, the underlying physical mechanism is much less clear due to the intrinsically nonequilibrium nature, compared with self-organization of thermal systems. Hydrodynamic interactions are believed to play a crucial role in such phenomena. To elucidate the fundamental physical nature of many-body hydrodynamic interactions at a finite Reynolds number, here we study a system of co-rotating hard disks in a two-dimensional viscous fluid at zero temperature. Despite the absence of thermal noise, this system exhibits rich phase behaviours, including a fluid state with diffusive dynamics, a cluster state, a hexatic state, a glassy state, a plastic crystal state and phase demixing. We reveal that these behaviours are induced by the off-axis and many-body nature of nonlinear hydrodynamic interactions and the finite time required for propagating the interactions by momentum diffusion.

Exploring connections between statistical mechanics and Green's functions for realistic systems: Temperature dependent electronic entropy and internal energy from a self-consistent second-order Green's function

NASA Astrophysics Data System (ADS)

Welden, Alicia Rae; Rusakov, Alexander A.; Zgid, Dominika

2016-11-01

Including finite-temperature effects from the electronic degrees of freedom in electronic structure calculations of semiconductors and metals is desired; however, in practice it remains exceedingly difficult when using zero-temperature methods, since these methods require an explicit evaluation of multiple excited states in order to account for any finite-temperature effects. Using a Matsubara Green's function formalism remains a viable alternative, since in this formalism it is easier to include thermal effects and to connect the dynamic quantities such as the self-energy with static thermodynamic quantities such as the Helmholtz energy, entropy, and internal energy. However, despite the promising properties of this formalism, little is known about the multiple solutions of the non-linear equations present in the self-consistent Matsubara formalism and only a few cases involving a full Coulomb Hamiltonian were investigated in the past. Here, to shed some light onto the iterative nature of the Green's function solutions, we self-consistently evaluate the thermodynamic quantities for a one-dimensional (1D) hydrogen solid at various interatomic separations and temperatures using the self-energy approximated to second-order (GF2). At many points in the phase diagram of this system, multiple phases such as a metal and an insulator exist, and we are able to determine the most stable phase from the analysis of Helmholtz energies. Additionally, we show the evolution of the spectrum of 1D boron nitride to demonstrate that GF2 is capable of qualitatively describing the temperature effects influencing the size of the band gap.

Disordered crystals from first principles I: Quantifying the configuration space

NASA Astrophysics Data System (ADS)

Kühne, Thomas D.; Prodan, Emil

2018-04-01

This work represents the first chapter of a project on the foundations of first-principle calculations of the electron transport in crystals at finite temperatures. We are interested in the range of temperatures, where most electronic components operate, that is, room temperature and above. The aim is a predictive first-principle formalism that combines ab-initio molecular dynamics and a finite-temperature Kubo-formula for homogeneous thermodynamic phases. The input for this formula is the ergodic dynamical system (Ω , G , dP) defining the thermodynamic crystalline phase, where Ω is the configuration space for the atomic degrees of freedom, G is the space group acting on Ω and dP is the ergodic Gibbs measure relative to the G-action. The present work develops an algorithmic method for quantifying (Ω , G , dP) from first principles. Using the silicon crystal as a working example, we find the Gibbs measure to be extremely well characterized by a multivariate normal distribution, which can be quantified using a small number of parameters. The latter are computed at various temperatures and communicated in the form of a table. Using this table, one can generate large and accurate thermally-disordered atomic configurations to serve, for example, as input for subsequent simulations of the electronic degrees of freedom.

Theoretical study of heat transfer with moving phase-change interface in thawing of frozen food

NASA Astrophysics Data System (ADS)

Leung, M.; Ching, W. H.; Leung, D. Y. C.; Lam, G. C. K.

2005-02-01

A theoretical solution was obtained for a transient phase-change heat transfer problem in thawing of frozen food. In the physical model, a sphere originally at a uniform temperature below the phase-change temperature is suddenly immersed in a fluid at a temperature above the phase-change temperature. As the body temperature increases, the phase-change interface will be first formed on the surface. Subsequently, the interface will absorb the latent heat and move towards the centre until the whole body undergoes complete phase change. In the mathematical formulation, the nonhomogeneous problem arises from the moving phase-change interface. The solution in terms of the time-dependent temperature field was obtained by use of Green's function. A one-step Newton-Raphson method was specially designed to solve for the position of the moving interface to satisfy the interface condition. The theoretical results were compared with numerical results generated by a finite difference model and experimental measurements collected from a cold water thawing process. As a good agreement was found, the theoretical solution developed in this study was verified numerically and experimentally. Besides thawing of frozen food, there are many other practical applications of the theoretical solution, such as food freezing, soil freezing/thawing, metal casting and bath quenching heat treatment, among others.

The finite-size effect in thin liquid crystal systems

NASA Astrophysics Data System (ADS)

Śliwa, I.

2018-05-01

Effects of surface ordering in liquid crystal systems confined between cell plates are of great theoretical and experimental interest. Liquid crystals introduced in thin cells are known to be strongly stabilized and ordered by cell plates. We introduce a new theoretical method for analyzing the effect of surfaces on local molecular ordering in thin liquid crystal systems with planar geometry of the smectic layers. Our results show that, due to the interplay between pair long-range intermolecular forces and nonlocal, relatively short-range, surface interactions, both orientational and translational orders of liquid crystal molecules across confining cells are very complex. In particular, it is demonstrated that the SmA, nematic, and isotropic phases can coexist. The phase transitions from SmA to nematic, as well as from nematic to isotropic phases, occur not simultaneously in the whole volume of the system but begin to appear locally in some regions of the LC sample. Phase transition temperatures are demonstrated to be strongly affected by the thickness of the LC system. The dependence of the corresponding shifts of phase transition temperatures on the layer number is shown to exhibit a power law character. This new type of scaling behavior is concerned with the coexistence of local phases in finite systems. The influence of a specific character of interactions of molecules with surfaces and other molecules on values of the resulting critical exponents is also analyzed.

Finite-element solutions for geothermal systems

NASA Technical Reports Server (NTRS)

Chen, J. C.; Conel, J. E.

1977-01-01

Vector potential and scalar potential are used to formulate the governing equations for a single-component and single-phase geothermal system. By assuming an initial temperature field, the fluid velocity can be determined which, in turn, is used to calculate the convective heat transfer. The energy equation is then solved by considering convected heat as a distributed source. Using the resulting temperature to compute new source terms, the final results are obtained by iterations of the procedure. Finite-element methods are proposed for modeling of realistic geothermal systems; the advantages of such methods are discussed. The developed methodology is then applied to a sample problem. Favorable agreement is obtained by comparisons with a previous study.

Uranium phase diagram from first principles

NASA Astrophysics Data System (ADS)

Yanilkin, Alexey; Kruglov, Ivan; Migdal, Kirill; Oganov, Artem; Pokatashkin, Pavel; Sergeev, Oleg

2017-06-01

The work is devoted to the investigation of uranium phase diagram up to pressure of 1 TPa and temperature of 15 kK based on density functional theory. First of all the comparison of pseudopotential and full potential calculations is carried out for different uranium phases. In the second step, phase diagram at zero temperature is investigated by means of program USPEX and pseudopotential calculations. Stable and metastable structures with close energies are selected. In order to obtain phase diagram at finite temperatures the preliminary selection of stable phases is made by free energy calculation based on small displacement method. For remaining candidates the accurate values of free energy are obtained by means of thermodynamic integration method (TIM). For this purpose quantum molecular dynamics are carried out at different volumes and temperatures. Interatomic potentials based machine learning are developed in order to consider large systems and long times for TIM. The potentials reproduce the free energy with the accuracy 1-5 meV/atom, which is sufficient for prediction of phase transitions. The equilibrium curves of different phases are obtained based on free energies. Melting curve is calculated by modified Z-method with developed potential.

A comparison of two finite element models for the prediction of permafrost temperatures

DOT National Transportation Integrated Search

1986-01-01

In permafrost areas, the analysis of soil thermal and hydraulic regimes is complicated by phase change effects and by moisture migration. During freezing, mobile soil moisture is drawn toward the freezing front, increasing the available latent heat; ...

Revisiting 2D Lattice Based Spin Flip-Flop Ising Model: Magnetic Properties of a Thin Film and Its Temperature Dependence

ERIC Educational Resources Information Center

Singh, Satya Pal

2014-01-01

This paper presents a brief review of Ising's work done in 1925 for one dimensional spin chain with periodic boundary condition. Ising observed that no phase transition occurred at finite temperature in one dimension. He erroneously generalized his views in higher dimensions but that was not true. In 1941 Kramer and Wannier obtained…

Non-Fermi glasses: fractionalizing electrons at finite energy density

NASA Astrophysics Data System (ADS)

Parameswaran, Siddharth; Gopalakrishnan, Sarang

Non-Fermi liquids are metals that cannot be adiabatically deformed into free fermion states. We argue for the existence of ``non-Fermi glasses,'' which are phases of interacting disordered fermions that are fully many-body localized, yet cannot be deformed into an Anderson insulator without an eigenstate phase transition. We explore the properties of such non-Fermi glasses, focusing on a specific solvable example. At high temperature, non-Fermi glasses have qualitatively similar spectral features to Anderson insulators. We identify a diagnostic, based on ratios of correlation functions, that sharply distinguishes between the two phases even at infinite temperature. We argue that our results and diagnostic should generically apply to the high-temperature behavior of the many-body localized descendants of fractionalized phases. S.A.P. is supported by NSF Grant DMR-1455366 and a UC President's Research Catalyst Award CA-15-327861, and S.G. by the Burke Institute at Caltech.

Spin polarized phases in strongly interacting matter: Interplay between axial-vector and tensor mean fields

NASA Astrophysics Data System (ADS)

Maruyama, Tomoyuki; Nakano, Eiji; Yanase, Kota; Yoshinaga, Naotaka

2018-06-01

The spontaneous spin polarization of strongly interacting matter due to axial-vector- and tensor-type interactions is studied at zero temperature and high baryon-number densities. We start with the mean-field Lagrangian for the axial-vector and tensor interaction channels and find in the chiral limit that the spin polarization due to the tensor mean field (U ) takes place first as the density increases for sufficiently strong coupling constants, and then the spin polarization due to the axial-vector mean field (A ) emerges in the region of the finite tensor mean field. This can be understood as making the axial-vector mean-field finite requires a broken chiral symmetry somehow, which is achieved by the finite tensor mean field in the present case. It is also found from the symmetry argument that there appear the type I (II) Nambu-Goldstone modes with a linear (quadratic) dispersion in the spin polarized phase with U ≠0 and A =0 (U ≠0 and A ≠0 ), although these two phases exhibit the same symmetry breaking pattern.

ANSYS-Based Simulation and Optimization on Temperature Field of Amorphous Ingot Made by Water Quenching

NASA Astrophysics Data System (ADS)

Zhao, W.; Sun, Z.; Tang, Z.; Liaw, P. K.; Li, J.; Liu, R. P.; Li, Gong

2014-05-01

2D finite element analysis was conducted on the temperature field to create an amorphous ingot by vacuum water quenching. An optimized analysis document was then written by ANSYS parametric design language, and the optimal design modules of ANSYS were used to study the inside diameter and wall thickness of the quartz tube, as well as the water temperature. The microstructure and the phase structure of the amorphous ingot were evaluated by scanning electron microscopy and X-ray diffraction, respectively. Results show that during the cooling process, the thinner wall thickness, smaller diameter of the ingot, or lower temperature of the water environment can result in higher cooling rate at a given temperature. Besides, the gap between the different cooling rates induced by wall thickness or diameter of the ingot narrows down as the temperature decreases, and the gap between the different cooling rates induced by temperature of the water environment remains constant. The process parameters in creating an amorphous ingot, which is optimized by the finite element analysis on the temperature field, are reliable.

A multiscale coupled finite-element and phase-field framework to modeling stressed grain growth in polycrystalline thin films

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

Jamshidian, M., E-mail: jamshidian@cc.iut.ac.ir; Institute of Structural Mechanics, Bauhaus-University Weimar, Marienstrasse 15, 99423 Weimar; Thamburaja, P., E-mail: prakash.thamburaja@gmail.com

A previously-developed finite-deformation- and crystal-elasticity-based constitutive theory for stressed grain growth in cubic polycrystalline bodies has been augmented to include a description of excess surface energy and grain-growth stagnation mechanisms through the use of surface effect state variables in a thermodynamically-consistent manner. The constitutive theory was also implemented into a multiscale coupled finite-element and phase-field computational framework. With the material parameters in the constitutive theory suitably calibrated, our three-dimensional numerical simulations show that the constitutive model is able to accurately predict the experimentally-determined evolution of crystallographic texture and grain size statistics in polycrystalline copper thin films deposited on polyimide substratemore » and annealed at high-homologous temperatures. In particular, our numerical analyses show that the broad texture transition observed in the annealing experiments of polycrystalline thin films is caused by grain growth stagnation mechanisms. - Graphical abstract: - Highlights: • Developing a theory for stressed grain growth in polycrystalline thin films. • Implementation into a multiscale coupled finite-element and phase-field framework. • Quantitative reproduction of the experimental grain growth data by simulations. • Revealing the cause of texture transition to be due to the stagnation mechanisms.« less

Resolving phase stability in the Ti-O binary with first-principles statistical mechanics methods

NASA Astrophysics Data System (ADS)

Gunda, N. S. Harsha; Puchala, Brian; Van der Ven, Anton

2018-03-01

The Ti-O system consists of a multitude of stable and metastable oxides that are used in wide ranging applications. In this work we investigate phase stability in the Ti-O binary from first principles. We perform a systematic search for ground state structures as a function of oxygen concentration by considering oxygen-vacancy and/or titanium-vacancy orderings over four parent crystal structures: (i) hcp Ti, (ii) ω -Ti, (iii) rocksalt, and (iv) hcp oxygen containing interstitial titanium. We explore phase stability at finite temperature using cluster expansion Hamiltonians and Monte Carlo simulations. The calculations predict a high oxygen solubility in hcp Ti and the stability of suboxide phases that undergo order-disorder transitions upon heating. Vacancy ordered rocksalt phases are also predicted at low temperature that disorder to form an extended solid solution at high temperatures. Predicted stable and metastable phase diagrams are qualitatively consistent with experimental observations, however, important discrepancies are revealed between first-principles density functional theory predictions of phase stability and the current understanding of phase stability in this system.

Free energy and phase transition of the matrix model on a plane wave

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

Hadizadeh, Shirin; Ramadanovic, Bojan; Semenoff, Gordon W.

2005-03-15

It has recently been observed that the weakly coupled plane-wave matrix model has a density of states which grows exponentially at high energy. This implies that the model has a phase transition. The transition appears to be of first order. However, its exact nature is sensitive to interactions. In this paper, we analyze the effect of interactions by computing the relevant parts of the effective potential for the Polyakov loop operator in the finite temperature plane-wave matrix model to three-loop order. We show that the phase transition is indeed of first order. We also compute the correction to the Hagedornmore » temperature to order two loops.« less

Warm ''pasta'' phase in the Thomas-Fermi approximation

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

Avancini, Sidney S.; Menezes, Debora P.; Chiacchiera, Silvia

In the present article, the 'pasta' phase is studied at finite temperatures within a Thomas-Fermi (TF) approach. Relativistic mean-field models, both with constant and density-dependent couplings, are used to describe this frustrated system. We compare the present results with previous ones obtained within a phase-coexistence description and conclude that the TF approximation gives rise to a richer inner ''pasta'' phase structure and the homogeneous matter appears at higher densities. Finally, the transition density calculated within TF is compared with the results for this quantity obtained with other methods.

Phase ordering in disordered and inhomogeneous systems

NASA Astrophysics Data System (ADS)

Corberi, Federico; Zannetti, Marco; Lippiello, Eugenio; Burioni, Raffaella; Vezzani, Alessandro

2015-06-01

We study numerically the coarsening dynamics of the Ising model on a regular lattice with random bonds and on deterministic fractal substrates. We propose a unifying interpretation of the phase-ordering processes based on two classes of dynamical behaviors characterized by different growth laws of the ordered domain size, namely logarithmic or power law, respectively. It is conjectured that the interplay between these dynamical classes is regulated by the same topological feature that governs the presence or the absence of a finite-temperature phase transition.

Describing the strongly interacting quark-gluon plasma through the Friedberg-Lee model

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

Shu Song; Li Jiarong; Institute of Particle Physics, Hua-Zhong Normal University, Wuhan 430079

2010-10-15

The Friedberg-Lee (FL) model is studied at finite temperature and density. The soliton solutions of the FL model in the deconfinement phase transition are solved and thoroughly discussed for certain boundary conditions. We indicate that the solitons before and after the deconfinement have different physical meanings: the soliton before deconfinement represents hadrons, while the soliton after the deconfinement represents the bound state of quarks which leads to a strongly interacting quark-gluon plasma phase. The corresponding phase diagram is given.

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.

CosmoTransitions: Computing cosmological phase transition temperatures and bubble profiles with multiple fields

NASA Astrophysics Data System (ADS)

Wainwright, Carroll L.

2012-09-01

I present a numerical package (CosmoTransitions) for analyzing finite-temperature cosmological phase transitions driven by single or multiple scalar fields. The package analyzes the different vacua of a theory to determine their critical temperatures (where the vacuum energy levels are degenerate), their supercooling temperatures, and the bubble wall profiles which separate the phases and describe their tunneling dynamics. I introduce a new method of path deformation to find the profiles of both thin- and thick-walled bubbles. CosmoTransitions is freely available for public use.Program summaryProgram Title: CosmoTransitionsCatalogue identifier: AEML_v1_0Program summary URL: http://cpc.cs.qub.ac.uk/summaries/AEML_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.htmlNo. of lines in distributed program, including test data, etc.: 8775No. of bytes in distributed program, including test data, etc.: 621096Distribution format: tar.gzProgramming language: Python.Computer: Developed on a 2009 MacBook Pro. No computer-specific optimization was performed.Operating system: Designed and tested on Mac OS X 10.6.8. Compatible with any OS with Python installed.RAM: Approximately 50 MB, mostly for loading plotting packages.Classification: 1.9, 11.1.External routines: SciPy, NumPy, matplotLibNature of problem: I describe a program to analyze early-Universe finite-temperature phase transitions with multiple scalar fields. The goal is to analyze the phase structure of an input theory, determine the amount of supercooling at each phase transition, and find the bubble-wall profiles of the nucleated bubbles that drive the transitions.Solution method: To find the bubble-wall profile, the program assumes that tunneling happens along a fixed path in field space. This reduces the equations of motion to one dimension, which can then be solved using the overshoot/undershoot method. The path iteratively deforms in the direction opposite the forces perpendicular to the path until the perpendicular forces vanish (or become very small). To find the phase structure, the program finds and integrates the change in a phase's minimum with respect to temperature.Running time: Approximately 1 minute for full analysis of the two-scalar-field test model on a 2.5 GHz CPU.

Anomalous critical behavior in the polymer collapse transition of three-dimensional lattice trails.

PubMed

Bedini, Andrea; Owczarek, Aleksander L; Prellberg, Thomas

2012-07-01

Trails (bond-avoiding walks) provide an alternative lattice model of polymers to self-avoiding walks, and adding self-interaction at multiply visited sites gives a model of polymer collapse. Recently a two-dimensional model (triangular lattice) where doubly and triply visited sites are given different weights was shown to display a rich phase diagram with first- and second-order collapse separated by a multicritical point. A kinetic growth process of trails (KGTs) was conjectured to map precisely to this multicritical point. Two types of low-temperature phases, a globule phase and a maximally dense phase, were encountered. Here we investigate the collapse properties of a similar extended model of interacting lattice trails on the simple cubic lattice with separate weights for doubly and triply visited sites. Again we find first- and second-order collapse transitions dependent on the relative sizes of the doubly and triply visited energies. However, we find no evidence of a low-temperature maximally dense phase with only the globular phase in existence. Intriguingly, when the ratio of the energies is precisely that which separates the first-order from the second-order regions anomalous finite-size scaling appears. At the finite-size location of the rounded transition clear evidence exists for a first-order transition that persists in the thermodynamic limit. This location moves as the length increases, with its limit apparently at the point that maps to a KGT. However, if one fixes the temperature to sit at exactly this KGT point, then only a critical point can be deduced from the data. The resolution of this apparent contradiction lies in the breaking of crossover scaling and the difference in the shift and transition width (crossover) exponents.

A study on thermal damage during hyperthermia treatment based on DPL model for multilayer tissues using finite element Legendre wavelet Galerkin approach.

PubMed

Kumar, Dinesh; Rai, K N

2016-12-01

Hyperthermia is a process that uses heat from the spatial heat source to kill cancerous cells without damaging the surrounding healthy tissues. Efficacy of hyperthermia technique is related to achieve temperature at the infected cells during the treatment process. A mathematical model on heat transfer in multilayer tissues in finite domain is proposed to predict the control temperature profile at hyperthermia position. The treatment technique uses dual-phase-lag model of heat transfer in multilayer tissues with modified Gaussian distribution heat source subjected to the most generalized boundary condition and interface at the adjacent layers. The complete dual-phase-lag model of bioheat transfer is solved using finite element Legendre wavelet Galerkin approach. The present solution has been verified with exact solution in a specific case and provides a good accuracy. The effect of the variability of different parameters such as lagging times, external heat source, metabolic heat source and the most generalized boundary condition on temperature profile in multilayer tissues is analyzed and also discussed the effective approach of hyperthermia treatment. Furthermore, we studied the modified thermal damage model with regeneration of healthy tissues as well. For viewpoint of thermal damage, the least thermal damage has been observed in boundary condition of second kind. The article concludes with a discussion of better opportunities for future clinical application of hyperthermia treatment. Copyright © 2016 Elsevier Ltd. All rights reserved.

Topological Sachdev-Ye-Kitaev model

NASA Astrophysics Data System (ADS)

Zhang, Pengfei; Zhai, Hui

2018-05-01

In this Rapid Communication, we construct a large-N exactly solvable model to study the interplay between interaction and topology, by connecting the Sachdev-Ye-Kitaev (SYK) model with constant hopping. The hopping forms a band structure that can exhibit both topologically trivial and nontrivial phases. Starting from a topologically trivial insulator with zero Hall conductance, we show that the interaction can drive a phase transition to a topologically nontrivial insulator with quantized nonzero Hall conductance, and a single gapless Dirac fermion emerges when the interaction is fine tuned to the critical point. The finite temperature effect is also considered, and we show that the topological phase with a stronger interaction is less stable against temperature. Our model provides a concrete example to illustrate the interacting topological phases and phase transitions, and can shed light on similar problems in physical systems.

Thermokinetic Modeling of Phase Transformation in the Laser Powder Deposition Process

NASA Astrophysics Data System (ADS)

Foroozmehr, Ehsan; Kovacevic, Radovan

2009-08-01

A finite element model coupled with a thermokinetic model is developed to predict the phase transformation of the laser deposition of AISI 4140 on a substrate with the same material. Four different deposition patterns, long-bead, short-bead, spiral-in, and spiral-out, are used to cover a similar area. Using a finite element model, the temperature history of the laser powder deposition (LPD) process is determined. The martensite transformation as well as martensite tempering is considered to calculate the final fraction of martensite, ferrite, cementite, ɛ-carbide, and retained austenite. Comparing the surface hardness topography of different patterns reveals that path planning is a critical parameter in laser surface modification. The predicted results are in a close agreement with the experimental results.

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

Ozturk, Fahrettin; Toros, Serkan; Evis, Zafer

In this study, the diametral strength test of sintered hydroxyapatite was simulated by the finite element software, ABAQUS/Standard. Stress distributions on diametral test sample were determined. The effect of sintering temperature on stress distribution of hydroxyapatite was studied. It was concluded that high sintering temperatures did not reduce the stress on hydroxyapatite. It had a negative effect on stress distribution of hydroxyapatite after 1300 deg. C. In addition to the porosity, other factors (sintering temperature, presence of phases and the degree of crystallinity) affect the diametral strength of the hydroxyapatite.

Frustrated honeycomb-lattice bilayer quantum antiferromagnet in a magnetic field

NASA Astrophysics Data System (ADS)

Krokhmalskii, Taras; Baliha, Vasyl; Derzhko, Oleg; Schulenburg, Jörg; Richter, Johannes

2018-05-01

Frustrated bilayer quantum magnets have attracted attention as flat-band spin systems with unconventional thermodynamic properties. We study the low-temperature properties of a frustrated honeycomb-lattice bilayer spin-1/2 isotropic (XXX) Heisenberg antiferromagnet in a magnetic field by means of an effective low-energy theory using exact diagonalizations and quantum Monte Carlo simulations. Our main focus is on the magnetization curve and the temperature dependence of the specific heat indicating a finite-temperature phase transition in high magnetic fields.

Thermodynamic phase transition in the rainbow Schwarzschild black hole

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

Gim, Yongwan; Kim, Wontae, E-mail: yongwan89@sogang.ac.kr, E-mail: wtkim@sogang.ac.kr

2014-10-01

We study the thermodynamic phase transition in the rainbow Schwarzschild black hole where the metric depends on the energy of the test particle. Identifying the black hole temperature with the energy from the modified dispersion relation, we obtain the modified entropy and thermodynamic energy along with the modified local temperature in the cavity to provide well defined black hole states. It is found that apart from the conventional critical temperature related to Hawking-Page phase transition there appears an additional critical temperature which is of relevance to the existence of a locally stable tiny black hole; however, the off-shell free energymore » tells us that this black hole should eventually tunnel into the stable large black hole. Finally, we discuss the reason why the temperature near the horizon is finite in the rainbow black hole by employing the running gravitational coupling constant, whereas it is divergent near the horizon in the ordinary Schwarzschild black hole.« less

Golf-course and funnel energy landscapes: Protein folding concepts in martensites

NASA Astrophysics Data System (ADS)

Shankaraiah, N.

2017-06-01

We use protein folding energy landscape concepts such as golf course and funnel to study re-equilibration in athermal martensites under systematic temperature quench Monte Carlo simulations. On quenching below a transition temperature, the seeded high-symmetry parent-phase austenite that converts to the low-symmetry product-phase martensite, through autocatalytic twinning or elastic photocopying, has both rapid conversions and incubation delays in the temperature-time-transformation phase diagram. We find the rapid (incubation delays) conversions at low (high) temperatures arises from the presence of large (small) size of golf-course edge that has the funnel inside for negative energy states. In the incubating state, the strain structure factor enters into the Brillouin-zone golf course through searches for finite transitional pathways which close off at the transition temperature with Vogel-Fulcher divergences that are insensitive to Hamiltonian energy scales and log-normal distributions, as signatures of dominant entropy barriers. The crossing of the entropy barrier is identified through energy occupancy distributions, Monte Carlo acceptance fractions, heat emission, and internal work.

Nuclear ``pasta'' phase within density dependent hadronic models

NASA Astrophysics Data System (ADS)

Avancini, S. S.; Brito, L.; Marinelli, J. R.; Menezes, D. P.; de Moraes, M. M. W.; Providência, C.; Santos, A. M.

2009-03-01

In the present paper, we investigate the onset of the “pasta” phase with different parametrizations of the density dependent hadronic model and compare the results with one of the usual parametrizations of the nonlinear Walecka model. The influence of the scalar-isovector virtual δ meson is shown. At zero temperature, two different methods are used, one based on coexistent phases and the other on the Thomas-Fermi approximation. At finite temperature, only the coexistence phases method is used. npe matter with fixed proton fractions and in β equilibrium are studied. We compare our results with restrictions imposed on the values of the density and pressure at the inner edge of the crust, obtained from observations of the Vela pulsar and recent isospin diffusion data from heavy-ion reactions, and with predictions from spinodal calculations.

Non-linear dual-phase-lag model for analyzing heat transfer phenomena in living tissues during thermal ablation.

PubMed

Kumar, P; Kumar, Dinesh; Rai, K N

2016-08-01

In this article, a non-linear dual-phase-lag (DPL) bio-heat transfer model based on temperature dependent metabolic heat generation rate is derived to analyze the heat transfer phenomena in living tissues during thermal ablation treatment. The numerical solution of the present non-linear problem has been done by finite element Runge-Kutta (4,5) method which combines the essence of Runge-Kutta (4,5) method together with finite difference scheme. Our study demonstrates that at the thermal ablation position temperature predicted by non-linear and linear DPL models show significant differences. A comparison has been made among non-linear DPL, thermal wave and Pennes model and it has been found that non-linear DPL and thermal wave bio-heat model show almost same nature whereas non-linear Pennes model shows significantly different temperature profile at the initial stage of thermal ablation treatment. The effect of Fourier number and Vernotte number (relaxation Fourier number) on temperature profile in presence and absence of externally applied heat source has been studied in detail and it has been observed that the presence of externally applied heat source term highly affects the efficiency of thermal treatment method. Copyright © 2016 Elsevier Ltd. All rights reserved.

Holographic QCD in the Veneziano Limit at a Finite Magnetic Field and Chemical Potential

NASA Astrophysics Data System (ADS)

Gürsoy, Umut; Järvinen, Matti; Nijs, Govert

2018-06-01

We investigate QCD-like gauge theories at strong coupling at a finite magnetic field B , temperature T , and quark chemical potential μ using the improved holographic QCD model, including the full backreaction of the quarks in the plasma. In addition to the phase diagram, we study the behavior of the quark condensate as a function of T , B , and μ and discuss the fate of (inverse) magnetic catalysis at a finite μ . In particular, we observe that inverse magnetic catalysis exists only for small values of the chemical potential. The speed of sound in this holographic quark-gluon plasma exhibits interesting dependence on the thermodynamic parameters.

On the Induction of the First-Order Phase Magnetic Transitions by Acoustic Vibrations in MnSi

NASA Astrophysics Data System (ADS)

Pikin, S. A.

2017-12-01

The main result of the paper contains the conclusion that the magnetic phase transition in MnSi always remains first order at any temperature and magnetic field. In these aims, a model of coupling of an order parameter with other degrees of freedom is used. The coupling of magnetic order parameters with long-wave acoustic phonons, in the presence of the nonsingular parts of the bulk and shear moduli, a first-order transition occurs, participle near the transition the heat capacity and the compressibility remain finite, if the heat capacity becomes infinite in the system disregarding the acoustic phonons. The role of the Frenkel heterophase fluctuations is discussed. The impurity effect shows that, for some phases, the heat capacity of the system remains continuous and finite at the transition point. It is supposed that the transition is progressively smoothed by these fluctuations at the application of the magnetic field.

On the induction of the first-order phase magnetic transitions by acoustic vibrations in MnSi

NASA Astrophysics Data System (ADS)

Pikin, S. A.

2017-12-01

The main result of the paper contains the conclusion that the magnetic phase transition in MnSi always remains first order at any temperature and magnetic field. In these aims, a model of coupling of an order parameter with other degrees of freedom is used. The coupling of magnetic order parameters with longwave acoustic phonons, in the presence of the nonsingular parts of the bulk and shear moduli, a first-order transition occurs, participle near the transition the heat capacity and the compressibility remain finite, if in the system without allowance of the acoustic phonons the heat capacity becomes infinite. The role of the Frenkel heterophase fluctuations is discussed. The impurity effect shows that, for some phases, the heat capacity of the system remains continuous and finite at the transition point. It is supposed that the transition is progressively smoothed by these fluctuations at the application of the magnetic field.

Tan's contact and the phase distribution of repulsive Fermi gases: Insights from quantum chromodynamics noise analyses

NASA Astrophysics Data System (ADS)

Porter, William J.; Drut, Joaquín E.

2017-05-01

Path-integral analyses originally pioneered in the study of the complex-phase problem afflicting lattice calculations of finite-density quantum chromodynamics are generalized to nonrelativistic Fermi gases with repulsive interactions. Using arguments similar to those previously applied to relativistic theories, we show that the analogous problem in nonrelativistic systems manifests itself naturally in Tan's contact as a nontrivial cancellation between terms with varied dependence on extensive thermodynamic quantities. We analyze that case under the assumption of a Gaussian phase distribution, which is supported by our Monte Carlo calculations and perturbative considerations. We further generalize these results to observables other than the contact, as well as to polarized systems and systems with fixed particle number. Our results are quite general in that they apply to repulsive multicomponent fermions, they are independent of dimensionality or trapping potential, and they hold in the ground state as well as at finite temperature.

Prethermalization and persistent order in the absence of a thermal phase transition

NASA Astrophysics Data System (ADS)

Halimeh, Jad C.; Zauner-Stauber, Valentin; McCulloch, Ian P.; de Vega, Inés; Schollwöck, Ulrich; Kastner, Michael

2017-01-01

We numerically study the dynamics after a parameter quench in the one-dimensional transverse-field Ising model with long-range interactions (∝1 /rα with distance r ), for finite chains and also directly in the thermodynamic limit. In nonequilibrium, i.e., before the system settles into a thermal state, we find a long-lived regime that is characterized by a prethermal value of the magnetization, which in general differs from its thermal value. We find that the ferromagnetic phase is stabilized dynamically: as a function of the quench parameter, the prethermal magnetization shows a transition between a symmetry-broken and a symmetric phase, even for those values of α for which no finite-temperature transition occurs in equilibrium. The dynamical critical point is shifted with respect to the equilibrium one, and the shift is found to depend on α as well as on the quench parameters.

Finite Element Analysis of Interaction of Laser Beam with Material in Laser Metal Powder Bed Fusion Process.

PubMed

Fu, Guang; Zhang, David Z; He, Allen N; Mao, Zhongfa; Zhang, Kaifei

2018-05-10

A deep understanding of the laser-material interaction mechanism, characterized by laser absorption, is very important in simulating the laser metal powder bed fusion (PBF) process. This is because the laser absorption of material affects the temperature distribution, which influences the thermal stress development and the final quality of parts. In this paper, a three-dimensional finite element analysis model of heat transfer taking into account the effect of material state and phase changes on laser absorption is presented to gain insight into the absorption mechanism, and the evolution of instantaneous absorptance in the laser metal PBF process. The results showed that the instantaneous absorptance was significantly affected by the time of laser radiation, as well as process parameters, such as hatch space, scanning velocity, and laser power, which were consistent with the experiment-based findings. The applicability of this model to temperature simulation was demonstrated by a comparative study, wherein the peak temperature in fusion process was simulated in two scenarios, with and without considering the effect of material state and phase changes on laser absorption, and the simulated results in the two scenarios were then compared with experimental data respectively.

Magnetic quasi-long-range ordering in nematic systems due to competition between higher-order couplings

NASA Astrophysics Data System (ADS)

Žukovič, Milan; Kalagov, Georgii

2018-05-01

Critical properties of the two-dimensional X Y model involving solely nematic-like terms of the second and third orders are investigated by spin-wave analysis and Monte Carlo simulation. It is found that, even though neither of the nematic-like terms alone can induce magnetic ordering, their coexistence and competition leads to an extended phase of the magnetic quasi-long-range-order phase, wedged between the two nematic-like phases induced by the respective couplings. Thus, except for the multicritical point, at which all the phases meet, for any finite value of the coupling parameters ratio there are two phase transition: one from the paramagnetic phase to one of the two nematic-like phases followed by another one at lower temperatures to the magnetic phase. The finite-size scaling analysis indicates that the phase transitions between the magnetic and nematic-like phases belong to the Ising and three-state Potts universality classes. Inside the competition-induced algebraic magnetic phase, the spin-pair correlation function is found to decay even much more slowly than in the standard X Y model with purely magnetic interactions. Such a magnetic phase is characterized by an extremely low vortex-antivortex pair density attaining a minimum close to the point at which the two couplings are of about equal strength.

An implicit numerical model for multicomponent compressible two-phase flow in porous media

NASA Astrophysics Data System (ADS)

Zidane, Ali; Firoozabadi, Abbas

2015-11-01

We introduce a new implicit approach to model multicomponent compressible two-phase flow in porous media with species transfer between the phases. In the implicit discretization of the species transport equation in our formulation we calculate for the first time the derivative of the molar concentration of component i in phase α (cα, i) with respect to the total molar concentration (ci) under the conditions of a constant volume V and temperature T. The species transport equation is discretized by the finite volume (FV) method. The fluxes are calculated based on powerful features of the mixed finite element (MFE) method which provides the pressure at grid-cell interfaces in addition to the pressure at the grid-cell center. The efficiency of the proposed model is demonstrated by comparing our results with three existing implicit compositional models. Our algorithm has low numerical dispersion despite the fact it is based on first-order space discretization. The proposed algorithm is very robust.

B1-B2 phase transition mechanism and pathway of PbS under pressure

NASA Astrophysics Data System (ADS)

Adeleke, Adebayo A.; Yao, Yansun

2018-03-01

Experimental studies at finite Pressure-Temperature (P-T) conditions and a theoretical study at 0 K of the phase transition in lead sulphide (PbS) have been inconclusive. Many studies that have been done to understand structural transformation in PbS can broadly be classified into two main ideological streams—one with Pnma and another with Cmcm orthorhombic intermediate phase. To foster better understanding of this phenomenon, we present the result of the first-principles study of phase transition in PbS at finite temperature. We employed the particle swarm-intelligence optimization algorithm for the 0 K structure search and first-principles metadynamics simulations to study the phase transition pathway of PbS from the ambient pressure, 0 K Fm-3m structure to the high-pressure Pm-3m phase under experimentally achievable P-T conditions. Significantly, our calculation shows that both streams are achievable under specific P-T conditions. We further uncover new tetragonal and monoclinic structures of PbS with space group P21/c and I41/amd, respectively. We propose the P21/c and I41/amd as a precursor phase to the Pnma and Cmcm phases, respectively. We investigated the stability of the new structures and found them to be dynamically stable at their stability pressure range. Electronic structure calculations reveal that both P21/c and I41/amd phases are semiconducting with direct and indirect bandgap energies of 0.69(5) eV and 0.97(3) eV, respectively. In general, both P21/c and I41/amd phases were found to be energetically competitive with their respective orthorhombic successors.

Mechanical and Infrared Thermography Analysis of Shape Memory Polyurethane

NASA Astrophysics Data System (ADS)

Pieczyska, Elzbieta Alicja; Maj, Michal; Kowalczyk-Gajewska, Katarzyna; Staszczak, Maria; Urbanski, Leszek; Tobushi, Hisaaki; Hayashi, Shunichi; Cristea, Mariana

2014-07-01

Multifunctional new material—polyurethane shape memory polymer (PU-SMP)—was subjected to tension carried out at room temperature at various strain rates. The influence of effects of thermomechanical couplings on the SMP mechanical properties was studied, based on the sample temperature changes, measured by a fast and sensitive infrared camera. It was found that the polymer deformation process strongly depends on the strain rate applied. The initial reversible strain is accompanied by a small drop in temperature, called thermoelastic effect. Its maximal value is related to the SMP yield point and increases upon increase of the strain rate. At higher strains, the stress and temperature significantly increase, caused by reorientation of the polymer molecular chains, followed by the stress drop and its subsequent increase accompanying the sample rupture. The higher strain rate, the higher stress, and temperature changes were obtained, since the deformation process was more dynamic and has occurred in almost adiabatic conditions. The constitutive model of SMP valid in finite strain regime was developed. In the proposed approach, SMP is described as a two-phase material composed of hyperelastic rubbery phase and elastic-viscoplastic glassy phase, while the volume content of phases is specified by the current temperature.

Finite-element analysis of scattering parameters of surface acoustic wave bandpass filter formed on barium titanate thin film

NASA Astrophysics Data System (ADS)

Timoshenko; Kalinchuk; Shirokov

2018-04-01

The frequency dependence of scattering parameters of interdigital surface acoustic wave transducers placed on ferroelectric barium titanate (BaTiO3) epitaxial film in c-phase coated over magnesium oxide has been studied using the finite-element method (FEM) approach along with the perfectly matched layer (PML) technique. The interdigital transducer which has a comb-like structure with aluminum electrodes excites the mechanical wave. The distance between the fingers allows tuning the frequency properties of the wave propagation. The magnesium oxide is taken as the substrate. The two-dimensional model of two-port surface acoustic wave filter is created to calculate scattering parameters and to show how to design the fixture in COMSOLTM. Some practical computational challenges of finite element modeling of SAW devices in COMSOLTM are shown. The effect of lattice misfit strain on acoustic properties of heterostructures of BaTiO3 epitaxial film in c-phase at room temperature is discussed in present article for two low-frequency surface acoustic resonances.

Random-field-induced disordering mechanism in a disordered ferromagnet: Between the Imry-Ma and the standard disordering mechanism

NASA Astrophysics Data System (ADS)

Andresen, Juan Carlos; Katzgraber, Helmut G.; Schechter, Moshe

2017-12-01

Random fields disorder Ising ferromagnets by aligning single spins in the direction of the random field in three space dimensions, or by flipping large ferromagnetic domains at dimensions two and below. While the former requires random fields of typical magnitude similar to the interaction strength, the latter Imry-Ma mechanism only requires infinitesimal random fields. Recently, it has been shown that for dilute anisotropic dipolar systems a third mechanism exists, where the ferromagnetic phase is disordered by finite-size glassy domains at a random field of finite magnitude that is considerably smaller than the typical interaction strength. Using large-scale Monte Carlo simulations and zero-temperature numerical approaches, we show that this mechanism applies to disordered ferromagnets with competing short-range ferromagnetic and antiferromagnetic interactions, suggesting its generality in ferromagnetic systems with competing interactions and an underlying spin-glass phase. A finite-size-scaling analysis of the magnetization distribution suggests that the transition might be first order.

Quantum percolation phase transition and magnetoelectric dipole glass in hexagonal ferrites

NASA Astrophysics Data System (ADS)

Rowley, S. E.; Vojta, T.; Jones, A. T.; Guo, W.; Oliveira, J.; Morrison, F. D.; Lindfield, N.; Baggio Saitovitch, E.; Watts, B. E.; Scott, J. F.

2017-07-01

Hexagonal ferrites not only have enormous commercial impact (£2 billion/year in sales) due to applications that include ultrahigh-density memories, credit-card stripes, magnetic bar codes, small motors, and low-loss microwave devices, they also have fascinating magnetic and ferroelectric quantum properties at low temperatures. Here we report the results of tuning the magnetic ordering temperature in PbF e12 -xG axO19 to zero by chemical substitution x . The phase transition boundary is found to vary as TN˜(1-x /xc ) 2 /3 with xc very close to the calculated spin percolation threshold, which we determine by Monte Carlo simulations, indicating that the zero-temperature phase transition is geometrically driven. We find that this produces a form of compositionally tuned, insulating, ferrimagnetic quantum criticality. Close to the zero-temperature phase transition, we observe the emergence of an electric dipole glass induced by magnetoelectric coupling. The strong frequency behavior of the glass freezing temperature Tm has a Vogel-Fulcher dependence with Tm finite, or suppressed below zero in the zero-frequency limit, depending on composition x . These quantum-mechanical properties, along with the multiplicity of low-lying modes near the zero-temperature phase transition, are likely to greatly extend applications of hexaferrites into the realm of quantum and cryogenic technologies.

Interesting properties of ferroelectric Pb(Zr0.5Ti0.5)O3 nanotube array embedded in matrix medium

NASA Astrophysics Data System (ADS)

Adhikari, Rajendra; Fu, Huaxiang

2013-07-01

Finite-temperature first-principles based simulations are used to determine the structural and polarization properties of ferroelectric Pb(Zr0.5Ti0.5)O3 (PZT) nanotube array embedded in matrix medium of different ferroelectric strengths. Various interesting properties are found, including (i) that the system can behave either 3D-like, or 2D-like, or 1D-like; and (ii) the existence of an unusual structural phase in which 180° stripe domain coexists with vortex. Furthermore, we show in PZT tube array that a vortex phase can spontaneously transform into a ferroelectric phase of polarization by temperature alone, without applying external electric fields. Microscopic insights for understanding these properties are provided.

Collective many-body bounce in the breathing-mode oscillations of a Tonks-Girardeau gas

NASA Astrophysics Data System (ADS)

Atas, Y. Y.; Bouchoule, I.; Gangardt, D. M.; Kheruntsyan, K. V.

2017-10-01

We analyze the breathing-mode oscillations of a harmonically quenched Tonks-Giradeau (TG) gas using an exact finite-temperature dynamical theory. We predict a striking collective manifestation of impenetrability—a collective many-body bounce effect. The effect, although being invisible in the evolution of the in situ density profile of the gas, can be revealed through a nontrivial periodic narrowing of its momentum distribution, taking place at twice the rate of the fundamental breathing-mode frequency. We identify physical regimes for observing the many-body bounce and construct the respective nonequilibrium phase diagram as a function of the quench strength and the initial temperature of the gas. We also develop a finite-temperature hydrodynamic theory of the TG gas wherein the many-body bounce is explained by an increased thermodynamic pressure during the isentropic compression cycle, which acts as a potential barrier for the particles to bounce off.

Universality of the Berezinskii-Kosterlitz-Thouless type of phase transition in the dipolar XY-model

NASA Astrophysics Data System (ADS)

Vasiliev, A. Yu; Tarkhov, A. E.; Menshikov, L. I.; Fedichev, P. O.; Fischer, Uwe R.

2014-05-01

We investigate the nature of the phase transition occurring in a planar XY-model spin system with dipole-dipole interactions. It is demonstrated that a Berezinskii-Kosterlitz-Thouless (BKT) type of phase transition always takes place at a finite temperature separating the ordered (ferro) and the disordered (para) phases. The low-temperature phase corresponds to an ordered state with thermal fluctuations, composed of a ‘gas’ of bound vortex-antivortex pairs, which would, when considered isolated, be characterized by a constant vortex-antivortex attraction force which is due to the dipolar interaction term in the Hamiltonian. Using a topological charge model, we show that small bound pairs are easily polarized, and screen the vortex-antivortex interaction in sufficiently large pairs. Screening changes the linear attraction potential of vortices to a logarithmic one, and leads to the familiar pair dissociation mechanism of the BKT type phase transition. The topological charge model is confirmed by numerical simulations, in which we demonstrate that the transition temperature slightly increases when compared with the BKT result for short-range interactions.

Berezinskii-Kosterlitz-Thouless crossover in a trapped atomic gas.

PubMed

Hadzibabic, Zoran; Krüger, Peter; Cheneau, Marc; Battelier, Baptiste; Dalibard, Jean

2006-06-29

Any state of matter is classified according to its order, and the type of order that a physical system can possess is profoundly affected by its dimensionality. Conventional long-range order, as in a ferromagnet or a crystal, is common in three-dimensional systems at low temperature. However, in two-dimensional systems with a continuous symmetry, true long-range order is destroyed by thermal fluctuations at any finite temperature. Consequently, for the case of identical bosons, a uniform two-dimensional fluid cannot undergo Bose-Einstein condensation, in contrast to the three-dimensional case. However, the two-dimensional system can form a 'quasi-condensate' and become superfluid below a finite critical temperature. The Berezinskii-Kosterlitz-Thouless (BKT) theory associates this phase transition with the emergence of a topological order, resulting from the pairing of vortices with opposite circulation. Above the critical temperature, proliferation of unbound vortices is expected. Here we report the observation of a BKT-type crossover in a trapped quantum degenerate gas of rubidium atoms. Using a matter wave heterodyning technique, we observe both the long-wavelength fluctuations of the quasi-condensate phase and the free vortices. At low temperatures, the gas is quasi-coherent on the length scale set by the system size. As the temperature is increased, the loss of long-range coherence coincides with the onset of proliferation of free vortices. Our results provide direct experimental evidence for the microscopic mechanism underlying the BKT theory, and raise new questions regarding coherence and superfluidity in mesoscopic systems.

Simulation of Cooling Rate Effects on Ti-48Al-2Cr-2Nb Crack Formation in Direct Laser Deposition

NASA Astrophysics Data System (ADS)

Yan, Lei; Li, Wei; Chen, Xueyang; Zhang, Yunlu; Newkirk, Joe; Liou, Frank; Dietrich, David

2017-03-01

Transient temperature history is vital in direct laser deposition (DLD) as it reveals the cooling rate at specific temperatures. Cooling rate directly relates to phase transformation and types of microstructure formed in deposits. In this paper, finite element analysis simulation was employed to study the transient temperature history and cooling rate at different experimental setups in the Ti-48Al-2Cr-2Nb DLD process. An innovative prediction strategy was developed to model with a moving Gaussian distribution heat source and element birth and death technology in ANSYS®, and fabricate crack-free deposits. This approach helps to understand and analyze the impact of cooling rate and also explain phase information gathered from x-ray diffraction.

Numerical Modeling of Turbulence Effects within an Evaporating Droplet in Atomizing Sprays

NASA Technical Reports Server (NTRS)

Balasubramanyam, M. S.; Chen, C. P.; Trinh, H. P.

2006-01-01

A new approach to account for finite thermal conductivity and turbulence effects within atomizing liquid sprays is presented in this paper. The model is an extension of the T-blob and T-TAB atomization/spray model of Trinh and Chen (2005). This finite conductivity model is based on the two-temperature film theory, where the turbulence characteristics of the droplet are used to estimate the effective thermal diffhsivity within the droplet phase. Both one-way and two-way coupled calculations were performed to investigate the performance of this model. The current evaporation model is incorporated into the T-blob atomization model of Trinh and Chen (2005) and implemented in an existing CFD Eulerian-Lagrangian two-way coupling numerical scheme. Validation studies were carried out by comparing with available evaporating atomization spray experimental data in terms of jet penetration, temperature field, and droplet SMD distribution within the spray. Validation results indicate the superiority of the finite-conductivity model in low speed parallel flow evaporating spray.

Finite-temperature phase transitions of third and higher order in gauge theories at large N

DOE PAGES

Nishimura, Hiromichi; Pisarski, Robert D.; Skokov, Vladimir V.

2018-02-15

We study phase transitions in SU(∞) gauge theories at nonzero temperature using matrix models. Our basic assumption is that the effective potential is dominated by double trace terms for the Polyakov loops. As a function of the various parameters, related to terms linear, quadratic, and quartic in the Polyakov loop, the phase diagram exhibits a universal structure. In a large region of this parameter space, there is a continuous phase transition whose order is larger than second. This is a generalization of the phase transition of Gross, Witten, and Wadia (GWW). Depending upon the detailed form of the matrix model,more » the eigenvalue density and the behavior of the specific heat near the transition differ drastically. Here, we speculate that in the pure gauge theory, that although the deconfining transition is thermodynamically of first order, it can be nevertheless conformally symmetric at infnite N.« less

Finite-temperature phase transitions of third and higher order in gauge theories at large N

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

Nishimura, Hiromichi; Pisarski, Robert D.; Skokov, Vladimir V.

We study phase transitions in SU(∞) gauge theories at nonzero temperature using matrix models. Our basic assumption is that the effective potential is dominated by double trace terms for the Polyakov loops. As a function of the various parameters, related to terms linear, quadratic, and quartic in the Polyakov loop, the phase diagram exhibits a universal structure. In a large region of this parameter space, there is a continuous phase transition whose order is larger than second. This is a generalization of the phase transition of Gross, Witten, and Wadia (GWW). Depending upon the detailed form of the matrix model,more » the eigenvalue density and the behavior of the specific heat near the transition differ drastically. Here, we speculate that in the pure gauge theory, that although the deconfining transition is thermodynamically of first order, it can be nevertheless conformally symmetric at infnite N.« less

Effect of a crystal-melt interface on Taylor-vortex flow

NASA Technical Reports Server (NTRS)

Mcfadden, G. B.; Coriell, S. R.; Murray, B. T.; Glicksman, M. E.; Selleck, M. E.

1990-01-01

The linear stability of circular Couette flow between concentric infinite cylinders is considered for the case that the stationary outer cylinder is a crystal-melt interface rather than a rigid surface. A radial temperature difference is maintained across the liquid gap, and equations for heat transport in the crystal and melt phases are included to extend the ordinary formulation of this problem. The stability of this two-phase system depends on the Prandtl number. For small Prandtl number the linear stability of the two-phase system is given by the classical results for a rigid-walled system. For increasing values of the Prandtl number, convective heat transport becomes significant and the system becomes increasingly less stable. Previous results in a narrow-gap approximation are extended to the case of a finite gap, and both axisymmetric and nonaxisymmetric disturbance modes are considered. The two-phase system becomes less stable as the finite gap tends to the narrow-gap limit. The two-phase system is more stable to nonaxisymmetric modes with azimuthal wavenumber n = 1; the stability of these n = 1 modes is sensitive to the latent heat of fusion.

Fluctuations in the quark-meson model for QCD with isospin chemical potential

NASA Astrophysics Data System (ADS)

Kamikado, Kazuhiko; Strodthoff, Nils; von Smekal, Lorenz; Wambach, Jochen

2013-01-01

We study the two-flavor quark-meson (QM) model with the functional renormalization group (FRG) to describe the effects of collective mesonic fluctuations on the phase diagram of QCD at finite baryon and isospin chemical potentials, μB and μI. With only isospin chemical potential there is a precise equivalence between the competing dynamics of chiral versus pion condensation and that of collective mesonic and baryonic fluctuations in the quark-meson-diquark model for two-color QCD at finite baryon chemical potential. Here, finite μB = 3 μ introduces an additional dimension to the phase diagram as compared to two-color QCD, however. At zero temperature, the (μI, μ) plane of this phase diagram is strongly constrained by the "Silver Blaze problem." In particular, the onset of pion condensation must occur at μI =mπ / 2, independent of μ as long as μ +μI stays below the constituent quark mass of the QM model or the liquid-gas transition line of nuclear matter in QCD. In order to maintain this relation beyond mean field it is crucial to compute the pion mass from its timelike correlator with the FRG in a consistent way.

Correlated lateral phase separations in stacks of lipid membranes

NASA Astrophysics Data System (ADS)

Hoshino, Takuma; Komura, Shigeyuki; Andelman, David

2015-12-01

Motivated by the experimental study of Tayebi et al. [Nat. Mater. 11, 1074 (2012)] on phase separation of stacked multi-component lipid bilayers, we propose a model composed of stacked two-dimensional Ising spins. We study both its static and dynamical features using Monte Carlo simulations with Kawasaki spin exchange dynamics that conserves the order parameter. We show that at thermodynamical equilibrium, due to strong inter-layer correlations, the system forms a continuous columnar structure for any finite interaction across adjacent layers. Furthermore, the phase separation shows a faster dynamics as the inter-layer interaction is increased. This temporal behavior is mainly due to an effective deeper temperature quench because of the larger value of the critical temperature, Tc, for larger inter-layer interaction. When the temperature ratio, T/Tc, is kept fixed, the temporal growth exponent does not increase and even slightly decreases as a function of the increased inter-layer interaction.

Evaporating Spray in Supersonic Streams Including Turbulence Effects

NASA Technical Reports Server (NTRS)

Balasubramanyam, M. S.; Chen, C. P.

2006-01-01

Evaporating spray plays an important role in spray combustion processes. This paper describes the development of a new finite-conductivity evaporation model, based on the two-temperature film theory, for two-phase numerical simulation using Eulerian-Lagrangian method. The model is a natural extension of the T-blob/T-TAB atomization/spray model which supplies the turbulence characteristics for estimating effective thermal diffusivity within the droplet phase. Both one-way and two-way coupled calculations were performed to investigate the performance of this model. Validation results indicate the superiority of the finite-conductivity model in low speed parallel flow evaporating sprays. High speed cross flow spray results indicate the effectiveness of the T-blob/T-TAB model and point to the needed improvements in high speed evaporating spray modeling.

Incommensurability and phase transitions in two-dimensional X Y models with Dzyaloshinskii-Moriya interactions

NASA Astrophysics Data System (ADS)

Liu, Huiping; Plascak, J. A.; Landau, D. P.

2018-05-01

The Dzyaloshinskii-Moriya (DM) interaction in magnetic models is the result of a combination of superexchange and spin-orbital coupling, and it can give rise to rich phase-transition behavior. In this paper, we study ferromagnetic X Y models with the DM interaction on two-dimensional L ×L square lattices using a hybrid Monte Carlo algorithm. To match the incommensurability between the resultant spin structure and the lattice due to the DM interaction, a fluctuating boundary condition is adopted. We also define a different kind of order parameter and use finite-size scaling to study the critical properties of this system. We find that a Kosterlitz-Thouless-like phase transition appears in this system and that the phase-transition temperature shifts toward higher temperature with increasing DM interaction strength.

First- and second-order metal-insulator phase transitions and topological aspects of a Hubbard-Rashba system

NASA Astrophysics Data System (ADS)

Marcelino, Edgar

2017-05-01

This paper considers a model consisting of a kinetic term, Rashba spin-orbit coupling and short-range Coulomb interaction at zero temperature. The Coulomb interaction is decoupled by a mean-field approximation in the spin channel using field theory methods. The results feature a first-order phase transition for any finite value of the chemical potential and quantum criticality for vanishing chemical potential. The Hall conductivity is also computed using the Kubo formula in a mean-field effective Hamiltonian. In the limit of infinite mass the kinetic term vanishes and all the phase transitions are of second order; in this case the spontaneous symmetry-breaking mechanism adds a ferromagnetic metallic phase to the system and features a zero-temperature quantization of the Hall conductivity in the insulating one.

Dissipation-driven phase transitions in superconducting wires

NASA Astrophysics Data System (ADS)

Lobos, Alejandro; Iucci, Aníbal; Müller, Markus; Giamarchi, Thierry

2010-03-01

Narrow superconducting wires with diameter dξ0 (where ξ0 is the bulk superconducting coherence length) are quasi-1D systems in which fluctuations of the order parameter strongly affect low-temperature properties. Indeed, fluctuations cause the magnitude of the order parameter to temporarily vanish at some point along the wire, allowing its phase to slip by 2π, and to produce finite resistivity for all temperatures below Tc. In this work, we show that a weak coupling to a diffusive metallic film reinforces superconductivity in the wire through a quench of phase fluctuations. We analyze the effective phase-only action of the system by a perturbative renormalization-group and a self-consistent variational approach to obtain the critical points and phases at T=0. We predict a quantum phase transition towards a superconducting phase with long-range order as a function of the wire stiffness and coupling to the metal. Finally we discuss implications for the DC resistivity of the wire.

A proposal for self-correcting stabilizer quantum memories in 3 dimensions (or slightly less)

NASA Astrophysics Data System (ADS)

Brell, Courtney G.

2016-01-01

We propose a family of local CSS stabilizer codes as possible candidates for self-correcting quantum memories in 3D. The construction is inspired by the classical Ising model on a Sierpinski carpet fractal, which acts as a classical self-correcting memory. Our models are naturally defined on fractal subsets of a 4D hypercubic lattice with Hausdorff dimension less than 3. Though this does not imply that these models can be realized with local interactions in {{{R}}}3, we also discuss this possibility. The X and Z sectors of the code are dual to one another, and we show that there exists a finite temperature phase transition associated with each of these sectors, providing evidence that the system may robustly store quantum information at finite temperature.

Finite-Temperature Relativistic Time-Blocking Approximation for Nuclear Strength Functions

NASA Astrophysics Data System (ADS)

Wibowo, Herlik; Litvinova, Elena

2017-09-01

This work presents an extension of the relativistic nuclear field theory (RNFT) developed throughout the last decade as an approach to the nuclear many-body problem, based on QHD meson-nucleon Lagrangian and relativistic field theory. The unique feature of RNFT is a consistent connection of the high-energy scale of heavy mesons, the medium-energy range of pion, and the low-energy domain of emergent collective vibrations (phonons). RNFT has demonstrated a very good performance in various nuclear structure calculations across the nuclear chart and, in particular, provides a consistent input for description of the two phases of r-process nucleosynthesis: neutron capture and beta decay. Further inclusion of finite temperature effects presented here allows for an extension of the method to highly excited compound nuclei. The covariant response theory in the relativistic time-blocking approximation (RTBA) is generalized for thermal effects, adopting the Matsubara Green's function formalism to the RNFT framework. The finite-temperature RTBA is implemented numerically to calculate multipole strength functions in medium-mass and heavy nuclei. The obtained results will be discussed in comparison to available experimental data and in the context of possible consequences for astrophysics.

Structural flexibility of the sulfur mustard molecule at finite temperature from Car-Parrinello molecular dynamics simulations.

PubMed

Lach, Joanna; Goclon, Jakub; Rodziewicz, Pawel

2016-04-05

Sulfur mustard (SM) is one of the most dangerous chemical compounds used against humans, mostly at war conditions but also in terrorist attacks. Even though the sulfur mustard has been synthesized over a hundred years ago, some of its molecular properties are not yet resolved. We investigate the structural flexibility of the SM molecule in the gas phase by Car-Parrinello molecular dynamics simulations. Thorough conformation analysis of 81 different SM configurations using density functional theory is performed to analyze the behavior of the system at finite temperature. The conformational diversity is analyzed with respect to the formation of intramolecular blue-shifting CH⋯S and CH⋯Cl hydrogen bonds. Molecular dynamics simulations indicate that all structural rearrangements between SM local minima are realized either in direct or non-direct way, including the intermediate structure in the last case. We study the lifetime of the SM conformers and perform the population analysis. Additionally, we provide the anharmonic dynamical finite temperature IR spectrum from the Fourier Transform of the dipole moment autocorrelation function to mimic the missing experimental IR spectrum. Copyright © 2015 Elsevier B.V. All rights reserved.

Application of Finite Element, Phase-field, and CALPHAD-based Methods to Additive Manufacturing of Ni-based Superalloys.

PubMed

Keller, Trevor; Lindwall, Greta; Ghosh, Supriyo; Ma, Li; Lane, Brandon M; Zhang, Fan; Kattner, Ursula R; Lass, Eric A; Heigel, Jarred C; Idell, Yaakov; Williams, Maureen E; Allen, Andrew J; Guyer, Jonathan E; Levine, Lyle E

2017-10-15

Numerical simulations are used in this work to investigate aspects of microstructure and microseg-regation during rapid solidification of a Ni-based superalloy in a laser powder bed fusion additive manufacturing process. Thermal modeling by finite element analysis simulates the laser melt pool, with surface temperatures in agreement with in situ thermographic measurements on Inconel 625. Geometric and thermal features of the simulated melt pools are extracted and used in subsequent mesoscale simulations. Solidification in the melt pool is simulated on two length scales. For the multicomponent alloy Inconel 625, microsegregation between dendrite arms is calculated using the Scheil-Gulliver solidification model and DICTRA software. Phase-field simulations, using Ni-Nb as a binary analogue to Inconel 625, produced microstructures with primary cellular/dendritic arm spacings in agreement with measured spacings in experimentally observed microstructures and a lesser extent of microsegregation than predicted by DICTRA simulations. The composition profiles are used to compare thermodynamic driving forces for nucleation against experimentally observed precipitates identified by electron and X-ray diffraction analyses. Our analysis lists the precipitates that may form from FCC phase of enriched interdendritic compositions and compares these against experimentally observed phases from 1 h heat treatments at two temperatures: stress relief at 1143 K (870 °C) or homogenization at 1423 K (1150 °C).

Spontaneous magnetic order in complex materials: Role of longitudinal spin-orbit interactions

NASA Astrophysics Data System (ADS)

Chakraborty, Subrata; Vijay, Amrendra

2017-06-01

We show that the longitudinal spin-orbit interactions (SOI) critically determine the fate of spontaneous magnetic order (SMO) in complex materials. To study the magnetic response of interacting electrons constituting the material, we implement an extension of the Hubbard model that faithfully accounts for the SOI. Next, we use the double-time Green functions of quantum statistical mechanics to obtain the spontaneous magnetization, Msp , and thence ascertain the possibility of SMO. For materials with quenched SOI, in an arbitrary dimension, Msp vanishes at finite temperatures, implying the presence of the disordered (paramagnetic) phase. This is consistent with and goes beyond the Bogolyubov's inequality based analysis in one and two dimensions. In the presence of longitudinal SOI, Msp , for materials in an arbitrary dimension, remains non-zero at finite temperatures, which indicates the existence of the ordered (ferromagnetic) phase. As a plausible experimental evidence of the present SOI-based phenomenology, we discuss, inter alia, a recent experimental study on Y4Mn1-xGa12-yGey, an intermetallic compound, which exhibits a magnetic phase transition (paramagnetic to ferromagnetic) upon tuning the fraction of Ge atoms and thence the vacancies of the magnetic centers in this system. The availability of Ge atoms to form a direct chemical bond with octahedral Mn in this material appears to quench the SOI and, as a consequence, favours the formation of the disordered (paramagnetic) phase.

Evolution of a proto-neutron star with a nuclear many-body equation of state: Neutrino luminosity and gravitational wave frequencies

DOE PAGES

Camelio, Giovanni; Lovato, Alessandro; Gualtieri, Leonardo; ...

2017-08-30

In a core-collapse supernova, a huge amount of energy is released in the Kelvin-Helmholtz phase subsequent to the explosion, when the proto-neutron star cools and deleptonizes as it loses neutrinos. Most of this energy is emitted through neutrinos, but a fraction of it can be released through gravitational waves. We model the evolution of a proto-neutron star in the Kelvin-Helmholtz phase using a general relativistic numerical code, and a recently proposed finite temperature, many-body equation of state; from this we consistently compute the diffusion coefficients driving the evolution. To include the many-body equation of state, we develop a new fittingmore » formula for the high density baryon free energy at finite temperature and intermediate proton fraction. Here, we estimate the emitted neutrino signal, assessing its detectability by present terrestrial detectors, and we determine the frequencies and damping times of the quasinormal modes which would characterize the gravitational wave signal emitted in this stage.« less

Evolution of a proto-neutron star with a nuclear many-body equation of state: Neutrino luminosity and gravitational wave frequencies

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

Camelio, Giovanni; Lovato, Alessandro; Gualtieri, Leonardo

In a core-collapse supernova, a huge amount of energy is released in the Kelvin-Helmholtz phase subsequent to the explosion, when the proto-neutron star cools and deleptonizes as it loses neutrinos. Most of this energy is emitted through neutrinos, but a fraction of it can be released through gravitational waves. We model the evolution of a proto-neutron star in the Kelvin-Helmholtz phase using a general relativistic numerical code, and a recently proposed finite temperature, many-body equation of state; from this we consistently compute the diffusion coefficients driving the evolution. To include the many-body equation of state, we develop a new fittingmore » formula for the high density baryon free energy at finite temperature and intermediate proton fraction. Here, we estimate the emitted neutrino signal, assessing its detectability by present terrestrial detectors, and we determine the frequencies and damping times of the quasinormal modes which would characterize the gravitational wave signal emitted in this stage.« less

Dynamics and Melting of Finite Plasma Crystals

NASA Astrophysics Data System (ADS)

Ludwig, Patrick; K"Ahlert, Hanno; Baumgartner, Henning; Thomsen, Hauke; Bonitz, Michael

2009-11-01

Interacting few-particle systems in external trapping potentials are of strong current interest since they allow to realize and control strong correlation and quantum effects [1]. Here, we present our recent results on the structural and thermodynamic properties of the crystal-like Wigner phase of complex plasma confined in a 3D harmonic potential. We discuss the linear response of the strongly correlated system to external excitations, which can be described in terms of normal modes [2]. By means of first-principle simulations the details of the melting phase transitions of these mesoscopic systems are systematically analysed with the melting temperatures being determined by a modified Lindemann parameter for the pair distance fluctuations [3]. The critical temperatures turn out to be utmost sensitive to finite size effects (i.e., the exact particle number), and form of the (screened) interaction potential.[4pt] [1] PhD Thesis, P. Ludwig, U Rostock (2008)[0pt] [2] C. Henning et al., J. Phys. A 42, 214023 (2009)[0pt] [3] B"oning et al., Phys. Rev. Lett. 100, 113401 (2008)

Technological parameters of welding of branch saddles to polyethylene pipes at low temperatures

NASA Astrophysics Data System (ADS)

Starostin, N. P.; Vasilieva, M. A.

2017-12-01

The present paper outlines a procedure for determination of dynamics of the temperature field during the welding of the branch saddle to the polyethylene gas pipeline at ambient temperatures below the normative. The analysis is accomplished by the finite element method with the heat of the phase transition taken into account. Methods of the visualization of data sets reveal the possibility of controlling the thermal process by preheating and thermal insulation during welding of the branch saddle to the pipe at low temperatures and the possibility of obtaining the dynamics of the temperature field at which a high-quality welded joint is formed.

Effects of the regularization on the restoration of chiral and axial symmetries

NASA Astrophysics Data System (ADS)

Costa, P.; Ruivo, M. C.; de Sousa, C. A.

2008-05-01

The effects of a type of regularization for finite temperatures on the restoration of chiral and axial symmetries are investigated within the SU(3) Nambu-Jona-Lasinio model. The regularization consists in using an infinite cutoff in the integrals that are convergent at finite temperature, a procedure that allows one to take into account the effects of high momentum quarks at high temperatures. It is found that the critical temperature for the phase transition is closer to lattice results than the one obtained with the conventional regularization, and the restoration of chiral and axial symmetries, signaled by the behavior of several observables, occurs simultaneously and at a higher temperature. The restoration of the axial symmetry appears as a natural consequence of the full recovering of the chiral symmetry that was dynamically broken. By using an additional ansatz that simulates instanton suppression effects, by means of a convenient temperature dependence of the anomaly coefficient, we found that the restoration of U(2) symmetry is shifted to lower values, but the dominant effect at high temperatures comes from the new regularization that enhances the decrease of quark condensates, especially in the strange sector.

Bulk from bi-locals in Thermo field CFT

DOE PAGES

Jevicki, Antal; Yoon, Junggi

2016-02-15

For this research, we study the Large N dynamics of the O(N) field theory in the Thermo field dynamics approach. The question of recovering the high temperature phase and the corresponding O(N) gauging is clarified. Through the associated bi-local representation we discuss the emergent bulk space-time and construction of (Higher spin) fields. In addition, we note the presence of ‘evanescent’ modes in this construction and also the mixing of spins at finite temperature.

Diamond grinding wheels production study with the use of the finite element method.

PubMed

Kundrák, J; Fedorovich, V; Markopoulos, A P; Pyzhov, I; Kryukova, N

2016-11-01

Research results on 3D modeling of the diamond grain and its bearing layer when sintering diamond grinding wheels are provided in this paper. The influence of the main characteristics of the wheel materials and the wheel production process, namely the quantity of metallic phase within diamond grain, coefficient of thermal expansion of the metallic phase, the modulus of elasticity of bond material and sintering temperature, on the internal stresses arising in grains is investigated. The results indicate that the stresses in the grains are higher in the areas around the metallic phase. Additionally, sintering temperature has the greatest impact on the stresses of the grain-metallic phase-bond system regardless of the type of the bond. Furthermore, by employing factorial design for the carried out finite element model, a mathematical model that reflects the impact of these factors on the deflected mode of the diamond grain-metallic phase-bond material system is obtained. The results of the analysis allow for the identification of optimal conditions for the efficient production of improved diamond grinding wheels. More specifically, the smallest stresses are observed when using the metal bond with modulus of elasticity 204 GPa, the quantity of metallic phase in diamond grain of not higher than 7% and coefficient of thermal expansion of 1.32 × 10 -5  1/K or lower. The results obtained from the proposed 3D model can lead to the increase in the diamond grains utilization and improve the overall efficiency of diamond grinding.

Quantum Discord in a Spin System with Symmetry Breaking

NASA Astrophysics Data System (ADS)

Tomasello, Bruno; Rossini, Davide; Hamma, Alioscia; Amico, Luigi

2013-06-01

We analyze the quantum discord Q throughout the low temperature phase diagram of the quantum XY model in transverse field. We first focus on the T = 0 order-disorder quantum phase transition QPT both in the symmetric ground state and in the symmetry broken one. Beside it, we highlight how Q displays clear anomalies also at a noncritical value of the control parameter inside the ordered phase, where the ground state is completely factorized. We evidence how the phenomenon is in fact of collective nature and displays universal features. We also study Q at finite temperature. We show that, close to the QPT, Q exhibits quantum-classical crossover of the system with universal scaling behavior. We evidence a nontrivial pattern of thermal correlations resulting from the factorization phenomenon.

Quantum Discord in a Spin System with Symmetry Breaking

NASA Astrophysics Data System (ADS)

Tomasello, Bruno; Rossini, Davide; Hamma, Alioscia; Amico, Luigi

2012-11-01

We analyze the quantum discordQ throughout the low temperature phase diagram of the quantum XY model in transverse field. We first focus on the T = 0 order-disorder quantum phase transition QPT both in the symmetric ground state and in the symmetry broken one. Beside it, we highlight how Q displays clear anomalies also at a noncritical value of the control parameter inside the ordered phase, where the ground state is completely factorized. We evidence how the phenomenon is in fact of collective nature and displays universal features. We also study Q at finite temperature. We show that, close to the QPT, Q exhibits quantum-classical crossover of the system with universal scaling behavior. We evidence a nontrivial pattern of thermal correlations resulting from the factorization phenomenon.

Finite-connectivity spin-glass phase diagrams and low-density parity check codes.

PubMed

Migliorini, Gabriele; Saad, David

2006-02-01

We obtain phase diagrams of regular and irregular finite-connectivity spin glasses. Contact is first established between properties of the phase diagram and the performance of low-density parity check (LDPC) codes within the replica symmetric (RS) ansatz. We then study the location of the dynamical and critical transition points of these systems within the one step replica symmetry breaking theory (RSB), extending similar calculations that have been performed in the past for the Bethe spin-glass problem. We observe that the location of the dynamical transition line does change within the RSB theory, in comparison with the results obtained in the RS case. For LDPC decoding of messages transmitted over the binary erasure channel we find, at zero temperature and rate , an RS critical transition point at while the critical RSB transition point is located at , to be compared with the corresponding Shannon bound . For the binary symmetric channel we show that the low temperature reentrant behavior of the dynamical transition line, observed within the RS ansatz, changes its location when the RSB ansatz is employed; the dynamical transition point occurs at higher values of the channel noise. Possible practical implications to improve the performance of the state-of-the-art error correcting codes are discussed.

Structural Characterisation and Mechanical FE Analysis of Conventional and M-Wire Ni-Ti Alloys Used in Endodontic Rotary Instruments

PubMed Central

Montalvão, Diogo; Alçada, Francisca Sena; Braz Fernandes, Francisco Manuel; de Vilaverde-Correia, Sancho

2014-01-01

The purpose of this study is to understand how the M-Wire alloy conditions the mechanical flexibility of endodontic rotary files at body temperature.Two different rotary instruments, a Profile GT 20/.06 and a Profile GT Series X 20/.06, were selected due to their geometrical similarity and their different constituent alloy. GT series X files are made from M-Wire, a Ni-Ti alloy allegedly having higher flexibility at body temperature. Both files were analysed by X-Ray Diffraction and Differential Scanning Calorimetry to investigate phase transformations and the effects of working temperature on these different alloys. Mechanical behaviour was assessed by means of static bending and torsional Finite Element simulations, taking into account the nonlinear superelastic behaviour of Ni-Ti materials. It was found that GT files present austenitic phase at body temperature, whereas GT series X present R-phase at temperatures under 40°C with a potential for larger flexibility. For the same load conditions, simulations showed that the slight geometrical differences between the two files do not introduce great disagreement in the instruments' mechanical response. It was confirmed that M-Wire increases the instrument's flexibility, mainly due to the presence of R-phase at body temperature. PMID:24574937

Structural characterisation and mechanical FE analysis of conventional and M-Wire Ni-Ti alloys used in endodontic rotary instruments.

PubMed

Montalvão, Diogo; Alçada, Francisca Sena; Braz Fernandes, Francisco Manuel; de Vilaverde-Correia, Sancho

2014-01-01

The purpose of this study is to understand how the M-Wire alloy conditions the mechanical flexibility of endodontic rotary files at body temperature.Two different rotary instruments, a Profile GT 20/.06 and a Profile GT Series X 20/.06, were selected due to their geometrical similarity and their different constituent alloy. GT series X files are made from M-Wire, a Ni-Ti alloy allegedly having higher flexibility at body temperature. Both files were analysed by X-Ray Diffraction and Differential Scanning Calorimetry to investigate phase transformations and the effects of working temperature on these different alloys. Mechanical behaviour was assessed by means of static bending and torsional Finite Element simulations, taking into account the nonlinear superelastic behaviour of Ni-Ti materials. It was found that GT files present austenitic phase at body temperature, whereas GT series X present R-phase at temperatures under 40 °C with a potential for larger flexibility. For the same load conditions, simulations showed that the slight geometrical differences between the two files do not introduce great disagreement in the instruments' mechanical response. It was confirmed that M-Wire increases the instrument's flexibility, mainly due to the presence of R-phase at body temperature.

Thermomechanical properties of polyurethane shape memory polymer-experiment and modelling

NASA Astrophysics Data System (ADS)

Pieczyska, E. A.; Maj, M.; Kowalczyk-Gajewska, K.; Staszczak, M.; Gradys, A.; Majewski, M.; Cristea, M.; Tobushi, H.; Hayashi, S.

2015-04-01

In this paper extensive research on the polyurethane shape memory polymer (PU-SMP) is reported, including its structure analysis, our experimental investigation of its thermomechanical properties and its modelling. The influence of the effects of thermomechanical couplings on the SMP behaviour during tension at room temperature is studied using a fast and sensitive infrared camera. It is shown that the thermomechanical behaviour of the SMP significantly depends on the strain rate: at a higher strain rate higher stress and temperature values are obtained. This indicates that an increase of the strain rate leads to activation of different deformation mechanisms at the micro-scale, along with reorientation and alignment of the molecular chains. Furthermore, influence of temperature on the SMP’s mechanical behaviour is studied. It is observed during the loading in a thermal chamber that at the temperature 20 °C below the glass transition temperature (Tg) the PU-SMP strengthens about six times compared to the material above Tg but does not exhibit the shape recovery. A finite-strain constitutive model is formulated, where the SMP is described as a two-phase material composed of a hyperelastic rubbery phase and elastic-viscoplastic glassy phase. The volume content of phases is governed by the current temperature. Finally, model predictions are compared with the experimental results.

Microwave spectroscopy evidence of superconducting pairing in the magnetic-field-induced metallic state of InO(x) films at zero temperature.

PubMed

Liu, Wei; Pan, LiDong; Wen, Jiajia; Kim, Minsoo; Sambandamurthy, G; Armitage, N P

2013-08-09

We investigate the field-tuned quantum phase transition in a 2D low-disorder amorphous InO(x) film in the frequency range of 0.05 to 16 GHz employing microwave spectroscopy. In the zero-temperature limit, the ac data are consistent with a scenario where this transition is from a superconductor to a metal instead of a direct transition to an insulator. The intervening metallic phase is unusual with a small but finite resistance that is much smaller than the normal state sheet resistance at the lowest measured temperatures. Moreover, it exhibits a superconducting response on short length and time scales while global superconductivity is destroyed. We present evidence that the true quantum critical point of this 2D superconductor metal transition is located at a field B(sm) far below the conventionally defined critical field B(cross) where different isotherms of magnetoresistance cross each other. The superfluid stiffness in the low-frequency limit and the superconducting fluctuation frequency from opposite sides of the transition both vanish at B≈B(sm). The lack of evidence for finite-frequency superfluid stiffness surviving B(cross) signifies that B(cross) is a crossover above which superconducting fluctuations make a vanishing contribution to dc and ac measurements.

Phase transition for the system of finite volume in the ϕ4 theory in the Tsallis nonextensive statistics

NASA Astrophysics Data System (ADS)

Ishihara, Masamichi

2018-04-01

We studied the effects of nonextensivity on the phase transition for the system of finite volume V in the ϕ4 theory in the Tsallis nonextensive statistics of entropic parameter q and temperature T, when the deviation from the Boltzmann-Gibbs (BG) statistics, |q ‑ 1|, is small. We calculated the condensate and the effective mass to the order q ‑ 1 with the normalized q-expectation value under the free particle approximation with zero bare mass. The following facts were found. The condensate Φ divided by v, Φ/v, at q (v is the value of the condensate at T = 0) is smaller than that at q‧ for q > q‧ as a function of Tph/v which is the physical temperature Tph divided by v. The physical temperature Tph is related to the variation of the Tsallis entropy and the variation of the internal energies, and Tph at q = 1 coincides with T. The effective mass decreases, reaches minimum, and increases after that, as Tph increases. The effective mass at q > 1 is lighter than the effective mass at q = 1 at low physical temperature and heavier than the effective mass at q = 1 at high physical temperature. The effects of the nonextensivity on the physical quantity as a function of Tph become strong as |q ‑ 1| increases. The results indicate the significance of the definition of the expectation value, the definition of the physical temperature, and the constraints for the density operator, when the terms including the volume of the system are not negligible.

Effects of the interaction range on structural phases of flexible polymers.

PubMed

Gross, J; Neuhaus, T; Vogel, T; Bachmann, M

2013-02-21

We systematically investigate how the range of interaction between non-bonded monomers influences the formation of structural phases of elastic, flexible polymers. Massively parallel replica-exchange simulations of a generic, coarse-grained model, performed partly on graphics processing units and in multiple-gaussian modified ensembles, pave the way for the construction of the structural phase diagram, parametrized by interaction range and temperature. Conformational transitions between gas-like, liquid, and diverse solid (pseudo) phases are identified by microcanonical statistical inflection-point analysis. We find evidence for finite-size effects that cause the crossover of "collapse" and "freezing" transitions for very short interaction ranges.

Statistical mechanics of self-driven Carnot cycles.

PubMed

Smith, E

1999-10-01

The spontaneous generation and finite-amplitude saturation of sound, in a traveling-wave thermoacoustic engine, are derived as properties of a second-order phase transition. It has previously been argued that this dynamical phase transition, called "onset," has an equivalent equilibrium representation, but the saturation mechanism and scaling were not computed. In this work, the sound modes implementing the engine cycle are coarse-grained and statistically averaged, in a partition function derived from microscopic dynamics on criteria of scale invariance. Self-amplification performed by the engine cycle is introduced through higher-order modal interactions. Stationary points and fluctuations of the resulting phenomenological Lagrangian are analyzed and related to background dynamical currents. The scaling of the stable sound amplitude near the critical point is derived and shown to arise universally from the interaction of finite-temperature disorder, with the order induced by self-amplification.

A finite element analysis of the freeze/thaw behavior of external artery heat pipes

NASA Technical Reports Server (NTRS)

Lu, X. J.; Peterson, G. P.

1993-01-01

A two-dimensional finite element model was used to determine the freeze/thaw characteristics of an external artery heat pipe. During startup, the working fluid, which was located in the liquid channel and the circumferential wall grooves, experienced a phase transformation from a solid to a liquid state. The transient heat conduction equations with moving interfacial conditions were solved using the appropriate initial boundary conditions. The modelling results include the cross-sectional temperature distribution and the interfacial or melt front position as a function of time. A fixed grid approach was adopted in the model for the phase-change process during thawing of frozen working fluid. The interfacial position between the liquid and solid regions was found by balancing the latent heat caused by interfacial movement with the heat addition or extraction at the related grid points.

Temperature nonuniformity occurring during the cooling process of a KDP crystal and its effects on second-harmonic generation.

PubMed

Liang, Yingchun; Su, Ruifeng; Lu, Lihua; Liu, Haitao

2014-08-10

The temperature nonuniformity occurring during the cooling process of a KDP crystal is studied, along with its effects on the second-harmonic generation (SHG) of a high-average-power laser. A comprehensive model is proposed incorporating principles of thermodynamics, mechanics, and optics, and it is applied to investigate the temperature nonuniformity and its effects. The temperature rise caused by linear absorption is calculated, while the temperature nonuniformity occurring during the cooling process is analyzed using the finite-element method (FEM). The stress induced by the nonuniformity is then studied using the FEM, and the trend of its change is determined. Moreover, the changes in refractive index caused by the stress are calculated, the results of which are used to determine the variations in the induced phase mismatch. The SHG efficiency considering the phase mismatch is eventually obtained by solving the coupling wave equations. The results demonstrate that the temperature nonuniformity has negative effects on the SHG efficiency.

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.

Strongly first-order electroweak phase transition and classical scale invariance

NASA Astrophysics Data System (ADS)

Farzinnia, Arsham; Ren, Jing

2014-10-01

In this work, we examine the possibility of realizing a strongly first-order electroweak phase transition within the minimal classically scale-invariant extension of the standard model (SM), previously proposed and analyzed as a potential solution to the hierarchy problem. By introducing one complex gauge-singlet scalar and three (weak scale) right-handed Majorana neutrinos, the scenario was successfully rendered capable of achieving a radiative breaking of the electroweak symmetry (by means of the Coleman-Weinberg mechanism), inducing nonzero masses for the SM neutrinos (via the seesaw mechanism), presenting a pseudoscalar dark matter candidate (protected by the CP symmetry of the potential), and predicting the existence of a second CP-even boson (with suppressed couplings to the SM content) in addition to the 125 GeV scalar. In the present treatment, we construct the full finite-temperature one-loop effective potential of the model, including the resummed thermal daisy loops, and demonstrate that finite-temperature effects induce a first-order electroweak phase transition. Requiring the thermally driven first-order phase transition to be sufficiently strong at the onset of the bubble nucleation (corresponding to nucleation temperatures TN˜100-200 GeV) further constrains the model's parameter space; in particular, an O(0.01) fraction of the dark matter in the Universe may be simultaneously accommodated with a strongly first-order electroweak phase transition. Moreover, such a phase transition disfavors right-handed Majorana neutrino masses above several hundreds of GeV, confines the pseudoscalar dark matter masses to ˜1-2 TeV, predicts the mass of the second CP-even scalar to be ˜100-300 GeV, and requires the mixing angle between the CP-even components of the SM doublet and the complex singlet to lie within the range 0.2≲sinω ≲0.4. The obtained results are displayed in comprehensive exclusion plots, identifying the viable regions of the parameter space. Many of these predictions lie within the reach of the next LHC run.

Adaptive-Grid Methods for Phase Field Models of Microstructure Development

NASA Technical Reports Server (NTRS)

Provatas, Nikolas; Goldenfeld, Nigel; Dantzig, Jonathan A.

1999-01-01

In this work the authors show how the phase field model can be solved in a computationally efficient manner that opens a new large-scale simulational window on solidification physics. Our method uses a finite element, adaptive-grid formulation, and exploits the fact that the phase and temperature fields vary significantly only near the interface. We illustrate how our method allows efficient simulation of phase-field models in very large systems, and verify the predictions of solvability theory at intermediate undercooling. We then present new results at low undercoolings that suggest that solvability theory may not give the correct tip speed in that regime. We model solidification using the phase-field model used by Karma and Rappel.

A finite element code for modelling tracer transport in a non-isothermal two-phase flow system for CO2 geological storage characterization

NASA Astrophysics Data System (ADS)

Tong, F.; Niemi, A. P.; Yang, Z.; Fagerlund, F.; Licha, T.; Sauter, M.

2011-12-01

This paper presents a new finite element method (FEM) code for modeling tracer transport in a non-isothermal two-phase flow system. The main intended application is simulation of the movement of so-called novel tracers for the purpose of characterization of geologically stored CO2 and its phase partitioning and migration in deep saline formations. The governing equations are based on the conservation of mass and energy. Among the phenomena accounted for are liquid-phase flow, gas flow, heat transport and the movement of the novel tracers. The movement of tracers includes diffusion and the advection associated with the gas and liquid flow. The temperature, gas pressure, suction, concentration of tracer in liquid phase and concentration of tracer in gas phase are chosen as the five primary variables. Parameters such as the density, viscosity, thermal expansion coefficient are expressed in terms of the primary variables. The governing equations are discretized in space using the Galerkin finite element formulation, and are discretized in time by one-dimensional finite difference scheme. This leads to an ill-conditioned FEM equation that has many small entries along the diagonal of the non-symmetric coefficient matrix. In order to deal with the problem of non-symmetric ill-conditioned matrix equation, special techniques are introduced . Firstly, only nonzero elements of the matrix need to be stored. Secondly, it is avoided to directly solve the whole large matrix. Thirdly, a strategy has been used to keep the diversity of solution methods in the calculation process. Additionally, an efficient adaptive mesh technique is included in the code in order to track the wetting front. The code has been validated against several classical analytical solutions, and will be applied for simulating the CO2 injection experiment to be carried out at the Heletz site, Israel, as part of the EU FP7 project MUSTANG.

Crossover in growth laws for phase-separating binary fluids: molecular dynamics simulations.

PubMed

Ahmad, Shaista; Das, Subir K; Puri, Sanjay

2012-03-01

Pattern and dynamics during phase separation in a symmetrical binary (A+B) Lennard-Jones fluid are studied via molecular dynamics simulations after quenching homogeneously mixed critical (50:50) systems to temperatures below the critical one. The morphology of the domains, rich in A or B particles, is observed to be bicontinuous. The early-time growth of the average domain size is found to be consistent with the Lifshitz-Slyozov law for diffusive domain coarsening. After a characteristic time, dependent on the temperature, we find a clear crossover to an extended viscous hydrodynamic regime where the domains grow linearly with time. Pattern formation in the present system is compared with that in solid binary mixtures, as a function of temperature. Important results for the finite-size and temperature effects on the small-wave-vector behavior of the scattering function are also presented.

Numerical analysis of laser ablation using the axisymmetric two-temperature model

NASA Astrophysics Data System (ADS)

Dziatkiewicz, Jolanta; Majchrzak, Ewa

2018-01-01

Laser ablation of the axisymmetric micro-domain is analyzed. To describe the thermal processes occurring in the micro-domain the two-temperature hyperbolic model supplemented by the boundary and initial conditions is used. This model takes into account the phase changes of material (solid-liquid and liquid-vapour) and the ablation process. At the stage of numerical computations the finite difference method with staggered grid is used. In the final part the results of computations are shown.

On the room-temperature phase diagram of high pressure hydrogen: an ab initio molecular dynamics perspective and a diffusion Monte Carlo study.

PubMed

Chen, Ji; Ren, Xinguo; Li, Xin-Zheng; Alfè, Dario; Wang, Enge

2014-07-14

The finite-temperature phase diagram of hydrogen in the region of phase IV and its neighborhood was studied using the ab initio molecular dynamics (MD) and the ab initio path-integral molecular dynamics (PIMD). The electronic structures were analyzed using the density-functional theory (DFT), the random-phase approximation, and the diffusion Monte Carlo (DMC) methods. Taking the state-of-the-art DMC results as benchmark, comparisons of the energy differences between structures generated from the MD and PIMD simulations, with molecular and dissociated hydrogens, respectively, in the weak molecular layers of phase IV, indicate that standard functionals in DFT tend to underestimate the dissociation barrier of the weak molecular layers in this mixed phase. Because of this underestimation, inclusion of the quantum nuclear effects (QNEs) in PIMD using electronic structures generated with these functionals leads to artificially dissociated hydrogen layers in phase IV and an error compensation between the neglect of QNEs and the deficiencies of these functionals in standard ab initio MD simulations exists. This analysis partly rationalizes why earlier ab initio MD simulations complement so well the experimental observations. The temperature and pressure dependencies for the stability of phase IV were also studied in the end and compared with earlier results.

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

NASA Astrophysics Data System (ADS)

Susan, Anju; Joshi, Kavita

2014-04-01

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 Al36 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.

Phase diagram of quantum critical system via local convertibility of ground state

PubMed Central

Liu, Si-Yuan; Quan, Quan; Chen, Jin-Jun; Zhang, Yu-Ran; Yang, Wen-Li; Fan, Heng

2016-01-01

We investigate the relationship between two kinds of ground-state local convertibility and quantum phase transitions in XY model. The local operations and classical communications (LOCC) convertibility is examined by the majorization relations and the entanglement-assisted local operations and classical communications (ELOCC) via Rényi entropy interception. In the phase diagram of XY model, LOCC convertibility and ELOCC convertibility of ground-states are presented and compared. It is shown that different phases in the phase diagram of XY model can have different LOCC or ELOCC convertibility, which can be used to detect the quantum phase transition. This study will enlighten extensive studies of quantum phase transitions from the perspective of local convertibility, e.g., finite-temperature phase transitions and other quantum many-body models. PMID:27381284

A remark on the phase transitions of modified action spin and gauge models

NASA Astrophysics Data System (ADS)

Seiberg, Nathan; Solomon, Sorin

1983-06-01

We consider the phase diagrams of modified action gauge and spin models and concentrate on their periphery - infinitely far from their origins (zero temperature - β-1 = 0). In this limit the exact positions of the phase transitions are found by looking for the global minimum of the single plaquette action (for a spin system - the single link energy). As the parameters of the model are varied, the position of such a global minimum is in general changed. When this changed is non-analytic, a phase transition takes place. The phase structure for finite β is clearly similar, but not identical to the infinite β one. We discuss several finite β corrections that should be applied to the exactly known infinite β picture. We confront our analysis for infinite β2 = ∑ iβ2i with the Monte Carlo simulations for two four-dimensional gauge systems: an SU(3) gauge model with action S=-Re∑ p( β1tr Up+ β2(tr Up) 2) and an SU(2) model with S=- Re Σ p[β 1{1}/{2}trU p+β 2( {1}/{2}trU p) 2+β 3( {1}/{2}trU p) 3] .

A microstructural lattice model for strain oriented problems: A combined Monte Carlo finite element technique

NASA Technical Reports Server (NTRS)

Gayda, J.; Srolovitz, D. J.

1987-01-01

A specialized, microstructural lattice model, termed MCFET for combined Monte Carlo Finite Element Technique, was developed which simulates microstructural evolution in material systems where modulated phases occur and the directionality of the modulation is influenced by internal and external stresses. In this approach, the microstructure is discretized onto a fine lattice. Each element in the lattice is labelled in accordance with its microstructural identity. Diffusion of material at elevated temperatures is simulated by allowing exchanges of neighboring elements if the exchange lowers the total energy of the system. A Monte Carlo approach is used to select the exchange site while the change in energy associated with stress fields is computed using a finite element technique. The MCFET analysis was validated by comparing this approach with a closed form, analytical method for stress assisted, shape changes of a single particle in an infinite matrix. Sample MCFET analytical for multiparticle problems were also run and in general the resulting microstructural changes associated with the application of an external stress are similar to that observed in Ni-Al-Cr alloys at elevated temperature.

Spin Multiphoton Antiresonance at Finite Temperatures

NASA Astrophysics Data System (ADS)

Hicke, Christian; Dykman, Mark

2007-03-01

Weakly anisotropic S>1 spin systems display multiphoton antiresonance. It occurs when an Nth overtone of the radiation frequency coincides with the distance between the ground and the Nth excited energy level (divided by ). The coherent response of the spin displays a sharp minimum or maximum as a function of frequency, depending on which state was initially occupied. We find the spectral shape of the response dips/peaks. We also study the stationary response for zero and finite temperatures. The response changes dramatically with increasing temperature, when excited states become occupied even in the absence of radiation. The change is due primarily to the increasing role of single-photon resonances between excited states, which occur at the same frequencies as multiphoton resonances. Single-photon resonances are broad, because the single-photon Rabi frequencies largely exceed the multi-photon ones. This allows us to separate different resonances and to study their spectral shape. We also study the change of the spectrum due to relaxational broadening of the peaks, with account taken of both decay and phase modulation.

Chiral density wave versus pion condensation at finite density and zero temperature

NASA Astrophysics Data System (ADS)

Andersen, Jens O.; Kneschke, Patrick

2018-04-01

The quark-meson model is often used as a low-energy effective model for QCD to study the chiral transition at finite temperature T , baryon chemical potential μB , and isospin chemical potential μI . We determine the parameters of the model by matching the meson and quark masses, as well as the pion decay constant to their physical values using the on shell (OS) and modified minimal subtraction (MS ¯ ) schemes. In this paper, the existence of different phases at zero temperature is studied. In particular, we investigate the competition between an inhomogeneous chiral condensate and a homogeneous pion condensate. For the inhomogeneity, we use a chiral-density wave ansatz. For a sigma mass of 600 MeV, we find that an inhomogeneous chiral condensate exists only for pion masses below approximately 37 MeV. We also show that due to our parameter fixing, the onset of pion condensation takes place exactly at μIc=1/2 mπ in accordance with exact results.

Spin Hartree-Fock approach to studying quantum Heisenberg antiferromagnets in low dimensions

NASA Astrophysics Data System (ADS)

Werth, A.; Kopietz, P.; Tsyplyatyev, O.

2018-05-01

We construct a new mean-field theory for a quantum (spin-1/2) Heisenberg antiferromagnet in one (1D) and two (2D) dimensions using a Hartree-Fock decoupling of the four-point correlation functions. We show that the solution to the self-consistency equations based on two-point correlation functions does not produce any unphysical finite-temperature phase transition, in accord with the Mermin-Wagner theorem, unlike the common approach based on the mean-field equation for the order parameter. The next-neighbor spin-spin correlation functions, calculated within this approach, reproduce closely the strong renormalization by quantum fluctuations obtained via a Bethe ansatz in 1D and a small renormalization of the classical antiferromagnetic state in 2D. The heat capacity approximates with reasonable accuracy the full Bethe ansatz result at all temperatures in 1D. In 2D, we obtain a reduction of the peak height in the heat capacity at a finite temperature that is accessible by high-order 1 /T expansions.

First-order transitions and thermodynamic properties in the 2D Blume-Capel model: the transfer-matrix method revisited

NASA Astrophysics Data System (ADS)

Jung, Moonjung; Kim, Dong-Hee

2017-12-01

We investigate the first-order transition in the spin-1 two-dimensional Blume-Capel model in square lattices by revisiting the transfer-matrix method. With large strip widths increased up to the size of 18 sites, we construct the detailed phase coexistence curve which shows excellent quantitative agreement with the recent advanced Monte Carlo results. In the deep first-order area, we observe the exponential system-size scaling of the spectral gap of the transfer matrix from which linearly increasing interfacial tension is deduced with decreasing temperature. We find that the first-order signature at low temperatures is strongly pronounced with much suppressed finite-size influence in the examined thermodynamic properties of entropy, non-zero spin population, and specific heat. It turns out that the jump at the transition becomes increasingly sharp as it goes deep into the first-order area, which is in contrast to the Wang-Landau results where finite-size smoothing gets more severe at lower temperatures.

One-norm geometric quantum discord and critical point estimation in the XY spin chain

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

Cheng, Chang-Cheng; Wang, Yao; Guo, Jin-Liang, E-mail: guojinliang80@163.com

2016-11-15

In contrast with entanglement and quantum discord (QD), we investigate the thermal quantum correlation in terms of Schatten one-norm geometric quantum discord (GQD) in the XY spin chain, and analyze their capabilities in detecting the critical point of quantum phase transition. We show that the one-norm GQD can reveal more properties about quantum correlation between two spins, especially for the long-range quantum correlation at finite temperature. Under the influences of site distance, anisotropy and temperature, one-norm GQD and its first derivative make it possible to detect the critical point efficiently for a general XY spin chain. - Highlights: • Comparingmore » with entanglement and QD, one-norm GQD is more robust versus the temperature. • One-norm GQD is more efficient in characterization of long-range quantum correlation between two distant qubits. • One-norm GQD performs well in highlighting the critical point of QPT at zero or low finite temperature. • One-norm GQD has a number of advantages over QD in detecting the critical point of the spin chain.« less

Effect of boson on-site repulsion on the superfluidity in the boson-fermion-Hubbard model

NASA Astrophysics Data System (ADS)

Sajna, A. S.; Micnas, R.

2018-03-01

We analyze the finite-temperature phase diagram of the boson-fermion-Hubbard model with Feshbach converting interaction, using the coherent-state path-integral method. We show that depending on the position of the bosonic band, this type of interaction, even if weak, can drive the system into the resonant superfluid phase in the strong bosonic interaction limit. It turns out that this phase can exist for an arbitrary number of fermions (i.e., fermionic concentration between 0 and 2), but with the bosonic particle number very close to an integer value. We point out that the standard time-of-flight method in optical lattice experiments can be an adequate technique to confirm the existence of this resonant phase. Moreover, in the nonresonant regime, the enhancement of the critical temperature of the superfluid phase due to Feshbach interaction is also observed. We account for this interesting phenomena for a hole- or particlelike pairing mechanism depending on the system density and mutual location of the fermionic and bosonic bands.

Kosterlitz-Thouless transitions and phase diagrams of the interacting monomer-dimer model on a checkerboard lattice

NASA Astrophysics Data System (ADS)

Li, Sazi; Li, Wei; Chen, Ziyu

2014-11-01

Using the tensor network approach, we investigate the monomer-dimer models on a checkerboard lattice, in which there are interactions (with strength v ) between the parallel dimers on half of the plaquettes. For the fully packed interacting dimer model, we observe a Kosterlitz-Thouless (KT) transition between the low-temperature symmetry breaking and the high-temperature critical phases; for the doped monomer-dimer case with finite chemical potential μ , we also find an order-disorder phase transition which is of second order instead. We use the boundary matrix product state approach to detect the KT and second-order phase transitions and obtain the phase diagrams v -T and μ -T . Moreover, for the noninteracting monomer-dimer model (setting μ =ν =0 ), we get an extraordinarily accurate determination of the free energy per site (negative of the monomer-dimer constant h2) as f =-0.662 798 972 833 746 with the dimer density n =0.638 123 109 228 547 , both of 15 correct digits.

Asymmetric fluid criticality. II. Finite-size scaling for simulations.

PubMed

Kim, Young C; Fisher, Michael E

2003-10-01

The vapor-liquid critical behavior of intrinsically asymmetric fluids is studied in finite systems of linear dimensions L focusing on periodic boundary conditions, as appropriate for simulations. The recently propounded "complete" thermodynamic (L--> infinity) scaling theory incorporating pressure mixing in the scaling fields as well as corrections to scaling [Phys. Rev. E 67, 061506 (2003)] is extended to finite L, initially in a grand canonical representation. The theory allows for a Yang-Yang anomaly in which, when L--> infinity, the second temperature derivative (d2musigma/dT2) of the chemical potential along the phase boundary musigmaT diverges when T-->Tc-. The finite-size behavior of various special critical loci in the temperature-density or (T,rho) plane, in particular, the k-inflection susceptibility loci and the Q-maximal loci--derived from QL(T,L) is identical with 2L/L where m is identical with rho-L--is carefully elucidated and shown to be of value in estimating Tc and rhoc. Concrete illustrations are presented for the hard-core square-well fluid and for the restricted primitive model electrolyte including an estimate of the correlation exponent nu that confirms Ising-type character. The treatment is extended to the canonical representation where further complications appear.

Comparison of the ferromagnetic Blume-Emery-Griffiths model and the AF spin-1 longitudinal Ising model at low temperature

NASA Astrophysics Data System (ADS)

Thomaz, M. T.; Corrêa Silva, E. V.

2016-03-01

We derive the exact Helmholtz free energy (HFE) of the standard and staggered one-dimensional Blume-Emery-Griffiths (BEG) model in the presence of an external longitudinal magnetic field. We discuss in detail the thermodynamic behavior of the ferromagnetic version of the model, which exhibits magnetic field-dependent plateaux in the z-component of its magnetization at low temperatures. We also study the behavior of its specific heat and entropy, both per site, at finite temperature. The degeneracy of the ground state, at T=0, along the lines that separate distinct phases in the phase diagram of the ferromagnetic BEG model is calculated, extending the study of the phase diagram of the spin-1 antiferromagnetic (AF) Ising model in S.M. de Souza and M.T. Thomaz, J. Magn. and Magn. Mater. 354 (2014) 205 [5]. We explore the implications of the equality of phase diagrams, at T=0, of the ferromagnetic BEG model with K/|J| = - 2 and of the spin-1 AF Ising model for D/|J| > 1/2.

Understanding and revisiting the most complex perovskite system via atomistic simulations

NASA Astrophysics Data System (ADS)

Yang, Yali; Xu, Bin; Xu, Changsong; Ren, Wei; Bellaiche, Laurent

2018-05-01

A first-principles-based effective Hamiltonian is developed and used, along with direct ab initio techniques, to investigate finite-temperature properties of the system commonly coined the most complex perovskite, that is NaNbO3. Such simulations successfully reproduce the existence of seven different phases in its phase diagram. The decomposition of the total energy of this effective Hamiltonian into different terms, altogether with the values of the parameters associated with these terms, also allow us to shed some light into puzzling features of such a compound. Examples include revealing the microscopic reasons of why R 3 c is its ground state and why it solely adopts in-phase tiltings at high temperatures versus complex nanotwins for intermediate temperatures. The results of the computations also call for a revisiting of the so-called P ,R , and S states, in the sense that an unexpected and previously overlooked inhomogeneous electrical polarization is numerically found in the P state while complex tiltings associated with the simultaneous condensation of several k points are predicted for the controversial R and S phases.

An investigation of a thermally steerable electroactive polymer/shape memory polymer hybrid actuator

NASA Astrophysics Data System (ADS)

Ren, Kailiang; Bortolin, Robert S.; Zhang, Q. M.

2016-02-01

This paper investigates the thermal response of a hybrid actuator composed of an electroactive polymer (EAP) and a shape memory polymer (SMP). This study introduces the concept of using the large strain from a phase transition (ferroelectric to paraelectric phase) induced by temperature change in a poly(vinylidene fluoride-trifluoroethylene) film to tune the shape of an SMP film above its glass transition temperature (Tg). Based on the material characterization data, it is revealed that the thickness ratio of the EAP/SMP films plays a critical role in the displacement of the actuator. Further, it is also demonstrated that the displacement of the hybrid actuator can be tailored by varying the temperature, and finite element method simulation results fit well with the measurement data. This specially designed hybrid actuator shows great promise for future morphing aircraft applications.

Weyl Superfluidity in a Three-dimensional Dipolar Fermi Gas

NASA Astrophysics Data System (ADS)

Liu, Bo; Li, Xiaopeng; Yin, Lan; Liu, W. Vincent

2015-03-01

Weyl superconductivity or superfluidity, a fascinating topological state of matter, features novel phenomena such as emergent Weyl fermionic excitations and anomalies. Here we report that an anisotropic Weyl superfluid state can arise as a low temperature stable phase in a 3D dipolar Fermi gas. A crucial ingredient of our model is a direction-dependent two-body effective attraction generated by a rotating external field. Experimental signatures are predicted for cold gases in radio-frequency spectroscopy. The finite temperature phase diagram of this system is studied and the transition temperature of the Weyl superfluidity is found to be within the experimental scope for atomic dipolar Fermi gases. Work supported in part by U.S. ARO, AFOSR, DARPA-OLE-ARO, Charles E. Kaufman Foundation and The Pittsburgh Foundation, JQI-NSF-PFC, ARO-Atomtronics-MURI, and NSF of China.

Force delivery of NiTi orthodontic arch wire at different magnitude of deflections and temperatures: A finite element study.

PubMed

Razali, M F; Mahmud, A S; Mokhtar, N

2018-01-01

NiTi arch wires are used widely in orthodontic treatment due to its superelastic and biocompatibility properties. In brackets configuration, the force released from the arch wire is influenced by the sliding resistances developed on the arch wire-bracket contact. This study investigated the evolution of the forces released by a rectangular NiTi arch wire towards possible intraoral temperature and deflection changes. A three dimensional finite element model was developed to measure the force-deflection behavior of superelastic arch wire. Finite element analysis was used to distinguish the martensite fraction and phase state of arch wire microstructure in relation to the magnitude of wire deflection. The predicted tensile and bending results from the numerical model showed a good agreement with the experimental results. As contact developed between the wire and bracket, binding influenced the force-deflection curve by changing the martensitic transformation plateau into a slope. The arch wire recovered from greater magnitude of deflection released lower force than one recovered from smaller deflection. In contrast, it was observed that the plateau slope increased from 0.66N/mm to 1.1N/mm when the temperature was increased from 26°C to 46°C. Copyright © 2017 Elsevier Ltd. All rights reserved.

The quest for novel modes of excitation in exotic nuclei

NASA Astrophysics Data System (ADS)

Paar, N.

2010-06-01

This paper provides an insight into several open problems in the quest for novel modes of excitation in nuclei with isospin asymmetry, deformation and finite-temperature characteristics in stellar environments. Major unsolved problems include the nature of pygmy dipole resonances, the quest for various multipole and spin-isospin excitations both in neutron-rich and proton drip-line nuclei mainly driven by loosely bound nucleons, excitations in unstable deformed nuclei and evolution of their properties with the shape phase transition. Exotic modes of excitation in nuclei at finite temperatures characteristic of supernova evolution present open problems with a possible impact in modeling astrophysically relevant weak interaction rates. All these issues challenge self-consistent many-body theory frameworks at the frontiers of on-going research, including nuclear energy density functionals, both phenomenological and constrained by the strong interaction physics of QCD, models based on low-momentum two-nucleon interaction Vlow-k and correlated realistic nucleon-nucleon interaction VUCOM, supplemented by three-body force, as well as two-nucleon and three-nucleon interactions derived from the chiral effective field theory. Joined theoretical and experimental efforts, including research with radioactive isotope beams, are needed to provide insight into dynamical properties of nuclei away from the valley of stability, involving the interplay of isospin asymmetry, deformation and finite temperature.

Cu-Au Alloys Using Monte Carlo Simulations and the BFS Method for Alloys

NASA Technical Reports Server (NTRS)

Bozzolo, Guillermo; Good, Brian; Ferrante, John

1996-01-01

Semi empirical methods have shown considerable promise in aiding in the calculation of many properties of materials. Materials used in engineering applications have defects that occur for various reasons including processing. In this work we present the first application of the BFS method for alloys to describe some aspects of microstructure due to processing for the Cu-Au system (Cu-Au, CuAu3, and Cu3Au). We use finite temperature Monte Carlo calculations, in order to show the influence of 'heat treatment' in the low-temperature phase of the alloy. Although relatively simple, it has enough features that could be used as a first test of the reliability of the technique. The main questions to be answered in this work relate to the existence of low temperature ordered structures for specific concentrations, for example, the ability to distinguish between rather similar phases for equiatomic alloys (CuAu I and CuAu II, the latter characterized by an antiphase boundary separating two identical phases).

Cyclic phase change in a cylindrical thermal energy storage capsule

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

Hasan, M.; Mujumdar, A.S.; Weber, M.E.

1983-12-01

This paper is concerned with a practical melting/freezing problem in conjunction with the more realistic case of a cyclic phase change thermal energy storage device. In this model the phase change medium is encapsulated in long cylindrical tubes, the surface temperature of which is allowed to vary sinusoidally with time about the discrete freezing temperature. Initial temperature of the medium is assumed to be constant at a temperature above or below the freezing/melting temperature. Natural convection in the melt is assumed to be negligible and the variations in the depth of freezing and/or melting in each half cycle is ignored.more » Depending on the half-cycle parameters the problem is simplified to either freezing or melting. The governing one-dimensional heat diffusion equations for both phases are solved by the Finite Integral Transform techniques. The kernels for the transformation are the time-dependent eigen functions separately defined for each phases. This extended transform method can accomodate any time-dependent surface temperature variation. The application of the transform generated a series of coupled, nonlinear first order differential equations, which are solved by Runge Kutta-Verner fifth and sixth order method. Dimensionless solutions of temperature variations in both phases, fusion front position and the fraction solidified (or melted) are displayed graphically to aid in practical calculations. For the special case of a constant surface temperature, comparisons are made between the present results and the existing integral and purely numerical results. The results are found to compare favourably. Results for fractional solidification (or melting and interface position are also compared with the simple Conduction Shape Factor method, after allowing for the time-dependent boundary conditions. Once again the results agree reasonably well.« less

Transport phenomena in the micropores of plug-type phase separators

NASA Technical Reports Server (NTRS)

Fazah, M. M.

1995-01-01

This study numerically investigates the transport phenomena within and across a porous-plug phase separator. The effect of temperature differential across a single pore and of the sidewall boundary conditions, i.e., isothermal or linear thermal gradient, are presented and discussed. The effects are quantified in terms of the evaporation mass flux across the boundary and the mean surface temperature. A two-dimensional finite element model is used to solve the continuity, momentum, and energy equations for the liquid. Temperature differentials across the pore interface of 1.0, and 1.5 K are examined and their effect on evaporation flux and mean surface temperature is shown. For isothermal side boundary conditions, the evaporation flux across the pore is directly proportional and linear with Delta T. For the case of an imposed linear thermal gradient on the side boundaries, Biot numbers of 0.0, 0.15, and 0.5 are examined. The most significant effect of Biot number is to lower the overall surface temperature and evaporation flux.

Multitemperature compaction model of a magma melt in the asthenosphere: A numerical approach

NASA Astrophysics Data System (ADS)

Pak, V. V.

2007-09-01

A numerical compaction model of a fluid in a viscous skeleton is developed with regard for a phase transition. The temperatures of phases are different. The solution is found by the method of asymptotic expansion relative to the incompressible variant, which removes a number of computational problems related to the weak compressibility of the skeleton. For each approximation, the problem is solved by the finite element method. The process of 2-D compaction of a magmatic melt in the asthenosphere under a fault zone is examined for one-and two-temperature cases. The magmatic flow concentrates in this region due to a lower pore pressure. Higher temperature magma entering from lower levels causes a local heating of the skeleton and intense melting of its fusible component. In the two-temperature model, a magma concentration anomaly develops under the fault zone. The fundamental limitations substantially complicating the corresponding calculations within the framework of a one-temperature model are pointed out and the necessity of applying a multitemperature variant is substantiated.

Thermostructural Analysis of Carbon Cloth Phenolic Material Tested at the Laser Hardened Material Evaluation Laboratory

NASA Technical Reports Server (NTRS)

Clayton, J. Louie; Ehle, Curt; Saxon, Jeff (Technical Monitor)

2002-01-01

RSRM nozzle liner components have been analyzed and tested to explore the occurrence of anomalous material performance known as pocketing erosion. Primary physical factors that contribute to pocketing seem to include the geometric permeability, which governs pore pressure magnitudes and hence load, and carbon fiber high temperature tensile strength, which defines a material limiting capability. The study reports on the results of a coupled thermostructural finite element analysis of Carbon Cloth Phenolic (CCP) material tested at the Laser Hardened Material Evaluation Laboratory (the LHMEL facility). Modeled test configurations will be limited to the special case of where temperature gradients are oriented perpendicular to the composite material ply angle. Analyses were conducted using a transient, one-dimensional flow/thermal finite element code that models pore pressure and temperature distributions and in an explicitly coupled formulation, passes this information to a 2-dimensional finite element structural model for determination of the stress/deformation behavior of the orthotropic fiber/matrix CCP. Pore pressures are generated by thermal decomposition of the phenolic resin which evolve as a multi-component gas phase which is partially trapped in the porous microstructure of the composite. The nature of resultant pressures are described by using the Darcy relationships which have been modified to permit a multi-specie mass and momentum balance including water vapor condensation. Solution to the conjugate flow/thermal equations were performed using the SINDA code. Of particular importance to this problem was the implementation of a char and deformation state dependent (geometric) permeability as describing a first order interaction between the flow/thermal and structural models. Material property models are used to characterize the solid phase mechanical stiffness and failure. Structural calculations were performed using the ABAQUS code. Iterations were made between the two codes involving the dependent variables temperature, pressure and across-ply strain level. Model results comparisons are made for three different surface heat rates and dependent variable sensitivities discussed for the various cases.

Improved boundary layer heat transfer calculations near a stagnation point

NASA Technical Reports Server (NTRS)

Ahn, Kyung Hwan

1990-01-01

A thermal design of a solar receiver has been developed for the solutions of problems involving phase-change thermal energy storage and natural convection loss. Two dimensional axisymmetrical solidification and melting of materials contained between two concentric cylinders of finite length has been studied for thermal energy storage analysis. For calculation of free convection loss inside receiver cavity, two dimensional axisymmetrical, laminar, transient free convection including radiation effects has been studied using integral/finite difference method. Finite difference equations are derived for the above analysis subject to constant or variable material properties, initial conditions, and boundary conditions. The validity of the analyses has been substantiated by comparing results of the present general method with available analytic solutions or numerical results reported in the literature. Both explicit and implicit schemes are tested in phase change analysis with different number of nodes ranging from 4 to 18. The above numerical methods have been applied to the existing solar receiver analyzing computer code as additional subroutines. The results were computed for one of the proposed Brayton cycle solar receiver models running under the actual environmental conditions. Effect of thermal energy storage on the thermal behavior of the receiver has been estimated. Due to the thermal energy storage, about 65% reduction on working gas outlet temperature fluctuation has been obtained; however, maximum temperature of thermal energy storage containment has been increased about 18%. Also, effect of natural convection inside a receiver cavity on the receiver heat transfer has been analyzed. The finding indicated that thermal stratification occurs during the sun time resulting in higher receiver temperatures at the outlet section of the gas tube, and lower temperatures at the inlet section of the gas tube when compared with the results with no natural convection. Due to heat supply from the air during the shade time, minimum temperature has been increased, while maximum temperature has been reduced due to convection loss to air. Consequently, cyclic temperature fluctuation has been reduced 29% for working gas and 16% for thermal energy storage containment. On the other hand, despite the presence of the natural convection the time-averaged temperatures for receiver components were found to be similar for two cases with/without natural convection (maximum difference was 1.8%).

On high-order perturbative calculations at finite density

DOE PAGES

Ghisoiu, Ioan; Gorda, Tyler; Kurkela, Aleksi; ...

2016-12-01

We discuss the prospects of performing high-order perturbative calculations in systems characterized by a vanishing temperature but finite density. In particular, we show that the determination of generic Feynman integrals containing fermionic chemical potentials can be reduced to the evaluation of three-dimensional phase space integrals over vacuum on-shell amplitudes — aresult reminiscent of a previously proposed “naive real-time formalism” for vacuum diagrams. Applications of these rules are discussed in the context of the thermodynamics of cold and dense QCD, where it is argued that they facilitate an extension of the Equation of State of cold quark matter to higher perturbativemore » orders.« less

Equation of state, phase stability, and phase transformations of uranium-6 wt. % niobium under high pressure and temperature

NASA Astrophysics Data System (ADS)

Zhang, Jianzhong; Vogel, Sven; Brown, Donald; Clausen, Bjorn; Hackenberg, Robert

2018-05-01

In-situ time-of-flight neutron diffraction experiments were conducted on the uranium-niobium alloy with 6 wt. % Nb (U-6Nb) at pressures up to 4.7 GPa and temperatures up to 1073 K. Upon static compression at room temperature, the monoclinic structure of U-6Nb (α″ U-6Nb) remains stable up to the highest experimental pressure. Based on the pressure-volume measurements at room temperature, the least-squares fit using the finite-strain equation of state (EOS) yields an isothermal bulk modulus of B0 = 127 ± 2 GPa for the α″-phase of U-6Nb. The calculated zero-pressure bulk sound speed from this EOS is 2.706 ± 0.022 km/s, which is in good agreement with the linear extrapolation of the previous Hugoniot data above 12 GPa for α″ U-6Nb, indicating that the dynamic response under those shock-loading conditions is consistent with the stabilization of the initial monoclinic phase of U-6Nb. Upon heating at ambient and high pressures, the metastable α″ U-6Nb exhibits complex transformation paths leading to the diffusional phase decomposition, which are sensitive to applied pressure, stress state, and temperature-time path. These findings provide new insight into the behavior of atypical systems such as U-Nb and suggest that the different U-Nb phases are separated by rather small energies and hence highly sensitive to compositional, thermal, and mechanical perturbations.

Unstructured Finite Elements and Dynamic Meshing for Explicit Phase Tracking in Multiphase Problems

NASA Astrophysics Data System (ADS)

Chandra, Anirban; Yang, Fan; Zhang, Yu; Shams, Ehsan; Sahni, Onkar; Oberai, Assad; Shephard, Mark

2017-11-01

Multi-phase processes involving phase change at interfaces, such as evaporation of a liquid or combustion of a solid, represent an interesting class of problems with varied applications. Large density ratio across phases, discontinuous fields at the interface and rapidly evolving geometries are some of the inherent challenges which influence the numerical modeling of multi-phase phase change problems. In this work, a mathematically consistent and robust computational approach to address these issues is presented. We use stabilized finite element methods on mixed topology unstructured grids for solving the compressible Navier-Stokes equations. Appropriate jump conditions derived from conservations laws across the interface are handled by using discontinuous interpolations, while the continuity of temperature and tangential velocity is enforced using a penalty parameter. The arbitrary Lagrangian-Eulerian (ALE) technique is utilized to explicitly track the interface motion. Mesh at the interface is constrained to move with the interface while elsewhere it is moved using the linear elasticity analogy. Repositioning is applied to the layered mesh that maintains its structure and normal resolution. In addition, mesh modification is used to preserve the quality of the volumetric mesh. This work is supported by the U.S. Army Grants W911NF1410301 and W911NF16C0117.

Multi-Scale Modeling of Liquid Phase Sintering Affected by Gravity: Preliminary Analysis

NASA Technical Reports Server (NTRS)

Olevsky, Eugene; German, Randall M.

2012-01-01

A multi-scale simulation concept taking into account impact of gravity on liquid phase sintering is described. The gravity influence can be included at both the micro- and macro-scales. At the micro-scale, the diffusion mass-transport is directionally modified in the framework of kinetic Monte-Carlo simulations to include the impact of gravity. The micro-scale simulations can provide the values of the constitutive parameters for macroscopic sintering simulations. At the macro-scale, we are attempting to embed a continuum model of sintering into a finite-element framework that includes the gravity forces and substrate friction. If successful, the finite elements analysis will enable predictions relevant to space-based processing, including size and shape and property predictions. Model experiments are underway to support the models via extraction of viscosity moduli versus composition, particle size, heating rate, temperature and time.

Phases of a fermionic model with chiral condensates and Cooper pairs in 1+1 dimensions

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

Mihaila, Bogdan; Blagoev, Krastan B.; MIND Institute, Albuquerque, New Mexico 87131

2006-01-01

We study the phase structure of a 4-fermi model with three bare coupling constants, which potentially has three types of bound states. This model is a generalization of the model discussed previously by [A. Chodos, F. Cooper, W. Mao, H. Minakata, and A. Singh, Phys. Rev. D 61, 045011 (2000).], which contained both chiral condensates and Cooper pairs. For this generalization we find that there are two independent renormalized coupling constants which determine the phase structure at finite density and temperature. We find that the vacuum can be in one of three distinct phases depending on the value of thesemore » two renormalized coupling constants.« less

Where is the continuum in lattice quantum chromodynamics?

NASA Technical Reports Server (NTRS)

Kennedy, A. D.; Pendleton, B. J.; Kuti, J.; Meyer, S.

1985-01-01

A Monte Carlo calculation of the quark-liberating phase transition in lattice quantum chromodynamics is presented. The transition temperature as a function of the lattice coupling g does not scale according to the perturbative beta function for 6/g-squared less than 6.1. Finite-size scaling is used in analyzing the properties of the lattice system near the transition point.

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

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

Martins, R. A.

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,more » 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.« less

Bose–Einstein condensation versus Dicke–Hepp–Lieb transition in an optical cavity

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

Piazza, Francesco, E-mail: francesco.piazza@ph.tum.de; Strack, Philipp; Zwerger, Wilhelm

We provide an exact solution for the interplay between Bose–Einstein condensation and the Dicke–Hepp–Lieb self-organization transition of an ideal Bose gas trapped inside a single-mode optical cavity and subject to a transverse laser drive. Based on an effective action approach, we determine the full phase diagram at arbitrary temperature, which features a bi-critical point where the transitions cross. We calculate the dynamically generated band structure of the atoms and the associated suppression of the critical temperature for Bose–Einstein condensation in the phase with a spontaneous periodic density modulation. Moreover, we determine the evolution of the polariton spectrum due to themore » coupling of the cavity photons and the atomic field near the self-organization transition, which is quite different above or below the Bose–Einstein condensation temperature. At low temperatures, the critical value of the Dicke–Hepp–Lieb transition decreases with temperature and thus thermal fluctuations can enhance the tendency to a periodic arrangement of the atoms. -- Highlights: •Atoms inside a driven cavity can undergo two transitions: self-organization and BEC. •The phase diagram has four phases which coexist at a bi-critical point. •Atom–cavity coupling creates a dynamical lattice for the atoms. •Finite temperature can enhance the tendency towards self-organization. •We calculate the detailed spectrum of the polaritonic excitations.« less

Quark–hadron phase structure, thermodynamics, and magnetization of QCD matter

NASA Astrophysics Data System (ADS)

Nasser Tawfik, Abdel; Magied Diab, Abdel; Hussein, M. T.

2018-05-01

The SU(3) Polyakov linear-sigma model (PLSM) is systematically implemented to characterize the quark-hadron phase structure and to determine various thermodynamic quantities and the magnetization of quantum chromodynamic (QCD) matter. Using mean-field approximation, the dependence of the chiral order parameter on a finite magnetic field is also calculated. Under a wide range of temperatures and magnetic field strengths, various thermodynamic quantities including trace anomaly, speed of sound squared, entropy density, and specific heat are presented, and some magnetic properties are described as well. Where available these results are compared to recent lattice QCD calculations. The temperature dependence of these quantities confirms our previous finding that the transition temperature is reduced with the increase in the magnetic field strength, i.e. QCD matter is characterized by an inverse magnetic catalysis. Furthermore, the temperature dependence of the magnetization showing that QCD matter has paramagnetic properties slightly below and far above the pseudo-critical temperature is confirmed as well. The excellent agreement with recent lattice calculations proves that our QCD-like approach (PLSM) seems to possess the correct degrees of freedom in both the hadronic and partonic phases and describes well the dynamics deriving confined hadrons to deconfined quark-gluon plasma.

Surface and finite size effects impact on the phase diagrams, polar, and dielectric properties of (Sr,Bi)Ta{sub 2}O{sub 9} ferroelectric nanoparticles

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

Eliseev, E. A.; Fomichov, Y. M.; Glinchuk, M. D.

2016-05-28

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.more » 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 SrBi{sub 2}Ta{sub 2}O{sub 9} 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 Sr{sub y}Bi{sub 2+x}Ta{sub 2}O{sub 9} 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.« less

Angle-resolved photoemission with circularly polarized light in the nodal mirror plane of underdoped Bi 2Sr 2CaCu 2O 8+ δ superconductor

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

He, Junfeng; Mion, Thomas R.; Gao, Shang

2016-10-31

Unraveling the nature of pseudogap phase in high-temperature superconductors holds the key to understanding their superconducting mechanisms and potentially broadening their applications via enhancement of their superconducting transition temperatures. Angle-resolved photoemission spectroscopy (ARPES) experiments using circularly polarized light have been proposed to detect possible symmetry breaking state in the pseudogap phase of cuprates. Here, the presence (absence) of an electronic order which breaks mirror symmetry of the crystal would in principle induce a finite (zero) circular dichroism in photoemission. Different orders breaking reflection symmetries about different mirror planes can also be distinguished by the momentum dependence of the measured circularmore » dichroism.« less

Statistical mechanics of a cat's cradle

NASA Astrophysics Data System (ADS)

Shen, Tongye; Wolynes, Peter G.

2006-11-01

It is believed that, much like a cat's cradle, the cytoskeleton can be thought of as a network of strings under tension. We show that both regular and random bond-disordered networks having bonds that buckle upon compression exhibit a variety of phase transitions as a function of temperature and extension. The results of self-consistent phonon calculations for the regular networks agree very well with computer simulations at finite temperature. The analytic theory also yields a rigidity onset (mechanical percolation) and the fraction of extended bonds for random networks. There is very good agreement with the simulations by Delaney et al (2005 Europhys. Lett. 72 990). The mean field theory reveals a nontranslationally invariant phase with self-generated heterogeneity of tautness, representing 'antiferroelasticity'.

Quantum gravity as an information network self-organization of a 4D universe

NASA Astrophysics Data System (ADS)

Trugenberger, Carlo A.

2015-10-01

I propose a quantum gravity model in which the fundamental degrees of freedom are information bits for both discrete space-time points and links connecting them. The Hamiltonian is a very simple network model consisting of a ferromagnetic Ising model for space-time vertices and an antiferromagnetic Ising model for the links. As a result of the frustration between these two terms, the ground state self-organizes as a new type of low-clustering graph with finite Hausdorff dimension 4. The spectral dimension is lower than the Hausdorff dimension: it coincides with the Hausdorff dimension 4 at a first quantum phase transition corresponding to an IR fixed point, while at a second quantum phase transition describing small scales space-time dissolves into disordered information bits. The large-scale dimension 4 of the universe is related to the upper critical dimension 4 of the Ising model. At finite temperatures the universe graph emerges without a big bang and without singularities from a ferromagnetic phase transition in which space-time itself forms out of a hot soup of information bits. When the temperature is lowered the universe graph unfolds and expands by lowering its connectivity, a mechanism I have called topological expansion. The model admits topological black hole excitations corresponding to graphs containing holes with no space-time inside and with "Schwarzschild-like" horizons with a lower spectral dimension.

Complex Langevin simulation of QCD at finite density and low temperature using the deformation technique

NASA Astrophysics Data System (ADS)

Nagata, Keitro; Nishimura, Jun; Shimasaki, Shinji

2018-03-01

We study QCD at finite density and low temperature by using the complex Langevin method. We employ the gauge cooling to control the unitarity norm and intro-duce a deformation parameter in the Dirac operator to avoid the singular-drift problem. The reliability of the obtained results are judged by the probability distribution of the magnitude of the drift term. By making extrapolations with respect to the deformation parameter using only the reliable results, we obtain results for the original system. We perform simulations on a 43 × 8 lattice and show that our method works well even in the region where the reweighing method fails due to the severe sign problem. As a result we observe a delayed onset of the baryon number density as compared with the phase-quenched model, which is a clear sign of the Silver Blaze phenomenon.

Holographic studies of thermal gauge theories with flavour

NASA Astrophysics Data System (ADS)

Thomson, Rowan F. M.

The AdS/CFT correspondence and its extensions to more general gauge/gravity dualities have provided a powerful framework for the study of strongly coupled gauge theories. This thesis explores properties of a large class of thermal strongly coupled gauge theories using the gravity dual. In order to bring the holographic framework closer to Quantum Chromodynamics (QCD), we study theories with matter in the fundamental representation. In particular, we focus on the holographic dual of SU ( N c ) supersymmetric Yang-Mills theory coupled to N f = N c flavours of fundamental matter at finite temperature, which is realised as N f Dq-brane probes in the near horizon (black hole) geometry of N c black Dp-branes. We explore many aspects of these Dp/Dq brane systems, often focussing on the D3/D7 brane system which is dual to a four dimensional gauge theory. We study the thermodynamics of the Dq-brane probes in the black hole geometry. At low temperature, the branes sit outside the black hole and the meson spectrum is discrete and possesses a mass gap. As the temperature increases, the branes approach a critical solution. Eventually, they fall into the horizon and a phase transition occurs. At large N c and large 't Hooft coupling, we show that this phase transition is always first order. We calculate the free energy, entropy and energy densities, as well as the speed of sound in these systems. We compute the meson spectrum for brane embeddings outside the horizon and find that tachyonic modes appear where this phase is expected to be unstable from thermodynamic considerations. We study the system at non-zero baryon density n b and find that there is a line of phase transitions for small n b , terminating at a critical point with finite n b . We demonstrate that, to leading order in N f / N c , the viscosity to entropy density ratio in these theories saturates the conjectured universal bound e/ S >= 1/4p. Finally, we compute spectral functions and diffusion constants for fundamental matter in the high temperature phase of the D3/D7 theory.

Thermal conductivity measurement of amorphous dielectric multilayers for phase-change memory power reduction

NASA Astrophysics Data System (ADS)

Fong, S. W.; Sood, A.; Chen, L.; Kumari, N.; Asheghi, M.; Goodson, K. E.; Gibson, G. A.; Wong, H.-S. P.

2016-07-01

In this work, we investigate the temperature-dependent thermal conductivities of few nanometer thick alternating stacks of amorphous dielectrics, specifically SiO2/Al2O3 and SiO2/Si3N4. Experiments using steady-state Joule-heating and electrical thermometry, while using a micro-miniature refrigerator over a wide temperature range (100-500 K), show that amorphous thin-film multilayer SiO2/Si3N4 and SiO2/Al2O3 exhibit through-plane room temperature effective thermal conductivities of about 1.14 and 0.48 W/(m × K), respectively. In the case of SiO2/Al2O3, the reduced conductivity is attributed to lowered film density (7.03 → 5.44 × 1028 m-3 for SiO2 and 10.2 → 8.27 × 1028 m-3 for Al2O3) caused by atomic layer deposition of thin-films as well as a small, finite, and repeating thermal boundary resistance (TBR) of 1.5 m2 K/GW between dielectric layers. Molecular dynamics simulations reveal that vibrational mismatch between amorphous oxide layers is small, and that the TBR between layers is largely due to imperfect interfaces. Finally, the impact of using this multilayer dielectric in a dash-type phase-change memory device is studied using finite-element simulations.

Estimating the composition of hydrates from a 3D seismic dataset near Penghu Canyon on Chinese passive margin offshore Taiwan

NASA Astrophysics Data System (ADS)

Chi, Wu-Cheng

2016-04-01

A bottom-simulating reflector (BSR), representing the base of the gas hydrate stability zone, can be used to estimate geothermal gradients under seafloor. However, to derive temperature estimates at the BSR, the correct hydrate composition is needed to calculate the phase boundary. Here we applied the method by Minshull and Keddie to constrain the hydrate composition and the pore fluid salinity. We used a 3D seismic dataset offshore SW Taiwan to test the method. Different from previous studies, we have considered the effects of 3D topographic effects using finite element modelling and also depth-dependent thermal conductivity. Using a pore water salinity of 2% at the BSR depth as found from the nearby core samples, we successfully used 99% methane and 1% ethane gas hydrate phase boundary to derive a sub-bottom depth vs. temperature plot which is consistent with the seafloor temperature from in-situ measurements. The results are also consistent with geochemical analyses of the pore fluids. The derived regional geothermal gradient is 40.1oC/km, which is similar to 40oC/km used in the 3D finite element modelling used in this study. This study is among the first documented successful use of Minshull and Keddie's method to constrain seafloor gas hydrate composition.

Influence of trapping potentials on the phase diagram of bosonic atoms in optical lattices

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

Giampaolo, S.M.; Illuminati, F.; Mazzarella, G.

2004-12-01

We study the effect of external trapping potentials on the phase diagram of bosonic atoms in optical lattices. We introduce a generalized Bose-Hubbard Hamiltonian that includes the structure of the energy levels of the trapping potential, and show that these levels are in general populated both at finite and zero temperature. We characterize the properties of the superfluid transition for this situation and compare them with those of the standard Bose-Hubbard description. We briefly discuss similar behaviors for fermionic systems.

Nanoscale High Energetic Materials: A Polymeric Nitrogen Chain N8 Confined inside a Carbon Nanotube

NASA Astrophysics Data System (ADS)

Abou-Rachid, Hakima; Hu, Anguang; Timoshevskii, Vladimir; Song, Yanfeng; Lussier, Louis-Simon

2008-05-01

We present a theoretical study of a new hybrid material, nanostructured polymeric nitrogen, where a polymeric nitrogen chain is encapsulated in a carbon nanotube. The electronic and structural properties of the new system are studied by means of ab initio electronic structure and molecular dynamics calculations. Finite temperature simulations demonstrate the stability of this nitrogen phase at ambient pressure and room temperature using carbon nanotube confinement. This nanostructured confinement may open a new path towards stabilizing polynitrogen or polymeric nitrogen at ambient conditions.

Re-entrant phase behavior for systems with competition between phase separation and self-assembly

NASA Astrophysics Data System (ADS)

Reinhardt, Aleks; Williamson, Alexander J.; Doye, Jonathan P. K.; Carrete, Jesús; Varela, Luis M.; Louis, Ard A.

2011-03-01

In patchy particle systems where there is a competition between the self-assembly of finite clusters and liquid-vapor phase separation, re-entrant phase behavior can be observed, with the system passing from a monomeric vapor phase to a region of liquid-vapor phase coexistence and then to a vapor phase of clusters as the temperature is decreased at constant density. Here, we present a classical statistical mechanical approach to the determination of the complete phase diagram of such a system. We model the system as a van der Waals fluid, but one where the monomers can assemble into monodisperse clusters that have no attractive interactions with any of the other species. The resulting phase diagrams show a clear region of re-entrance. However, for the most physically reasonable parameter values of the model, this behavior is restricted to a certain range of density, with phase separation still persisting at high densities.

The new finite temperature Schrödinger equations with strong or weak interaction

NASA Astrophysics Data System (ADS)

Li, Heling; Yang, Bin; Shen, Hongjun

2017-07-01

Implanting the thoughtway of thermostatistics into quantum mechanics, we formulate new Schrödinger equations of multi-particle and single-particle respectively at finite temperature. To get it, the pure-state free energies and the microscopic entropy operators are introduced and meantime the pure-state free energies take the places of mechanical energies at finite temperature. The definition of microscopic entropy introduced by Wu was also revised, and the strong or weak interactions dependent on temperature are considered in multi-particle Schrödinger Equations. Based on the new Schrödinger equation at finite temperature, two simple cases were analyzed. The first one is concerning some identical harmonic oscillators in N lattice points and the other one is about N unrelated particles in three dimensional in finite potential well. From the results gotten, we conclude that the finite temperature Schrödinger equation is particularly important for mesoscopic systems.

Low-temperature transport in out-of-equilibrium XXZ chains

NASA Astrophysics Data System (ADS)

Bertini, Bruno; Piroli, Lorenzo

2018-03-01

We study the low-temperature transport properties of out-of-equilibrium XXZ spin-1/2 chains. We consider the protocol where two semi-infinite chains are prepared in two thermal states at small but different temperatures and suddenly joined together. We focus on the qualitative and quantitative features of the profiles of local observables, which at large times t and distances x from the junction become functions of the ratio \\zeta=x/t . By means of the generalized hydrodynamic equations, we analyse the rich phenomenology arising by considering different regimes of the phase diagram. In the gapped phases, variations of the profiles are found to be exponentially small in the temperatures, but described by non-trivial functions of ζ. We provide analytical formulae for the latter, which give accurate results also for small but finite temperatures. In the gapless regime, we show how the three-step conformal predictions for the profiles of energy density and energy current are naturally recovered from the hydrodynamic equations. Moreover, we also recover the recent non-linear Luttinger liquid predictions for low-temperature transport: universal peaks of width \

A green synthesis of a layered titanate, potassium lithium titanate; lower temperature solid-state reaction and improved materials performance

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

Ogawa, Makoto, E-mail: waseda.ogawa@gmail.com; Department of Earth Sciences, Waseda University, 1-6-1 Nishiwaseda, Shinjuku-ku, Tokyo 169-8050; Morita, Masashi, E-mail: m-masashi@y.akane.waseda.jp

2013-10-15

A layered titanate, potassium lithium titanate, with the size range from 0.1 to 30 µm was prepared to show the effects of the particle size on the materials performance. The potassium lithium titanate was prepared by solid-state reaction as reported previously, where the reaction temperature was varied. The reported temperature for the titanate preparation was higher than 800 °C, though 600 °C is good enough to obtain single-phase potassium lithium titanate. The lower temperature synthesis is cost effective and the product exhibit better performance as photocatalysts due to surface reactivity. - Graphical abstract: Finite particle of a layered titanate, potassiummore » lithium titanate, was prepared by solid-state reaction at lower temperature to show modified materials performance. Display Omitted - Highlights: • Potassium lithium titanate was prepared by solid-state reaction. • Lower temperature reaction resulted in smaller sized particles of titanate. • 600 °C was good enough to obtain single phased potassium lithium titanate. • The product exhibited better performance as photocatalyst.« less

Temperature and composition phase diagram in the iron-based ladder compounds Ba 1 - x Cs x Fe 2 Se 3

DOE PAGES

Hawai, Takafumi; Nambu, Yusuke; Ohgushi, Kenya; ...

2015-05-28

We investigated the iron-based ladder compounds (Ba,Cs)Fe₂Se₃. Their parent compounds BaFe₂Se₃ and CsFe₂Se₃ have different space groups, formal valences of Fe, and magnetic structures. Electrical resistivity, specific heat, magnetic susceptibility, x-ray diffraction, and powder neutron diffraction measurements were conducted to obtain a temperature and composition phase diagram of this system. Block magnetism observed in BaFe₂Se₃ is drastically suppressed with Cs doping. In contrast, stripe magnetism observed in CsFe₂Se₃ is not so fragile against Ba doping. A new type of magnetic structure appears in intermediate compositions, which is similar to stripe magnetism of CsFe₂Se₃, but interladder spin configuration is different. Intermediatemore » compounds show insulating behavior, nevertheless a finite T-linear contribution in specific heat was obtained at low temperatures.« less

Color superconductivity from the chiral quark-meson model

NASA Astrophysics Data System (ADS)

Sedrakian, Armen; Tripolt, Ralf-Arno; Wambach, Jochen

2018-05-01

We study the two-flavor color superconductivity of low-temperature quark matter in the vicinity of chiral phase transition in the quark-meson model where the interactions between quarks are generated by pion and sigma exchanges. Starting from the Nambu-Gorkov propagator in real-time formulation we obtain finite temperature (real axis) Eliashberg-type equations for the quark self-energies (gap functions) in terms of the in-medium spectral function of mesons. Exact numerical solutions of the coupled nonlinear integral equations for the real and imaginary parts of the gap function are obtained in the zero temperature limit using a model input spectral function. We find that these components of the gap display a complicated structure with the real part being strongly suppressed above 2Δ0, where Δ0 is its on-shell value. We find Δ0 ≃ 40MeV close to the chiral phase transition.

Temperature and composition phase diagram in the iron-based ladder compounds Ba1-xCsxFe2Se3

NASA Astrophysics Data System (ADS)

Hawai, Takafumi; Nambu, Yusuke; Ohgushi, Kenya; Du, Fei; Hirata, Yasuyuki; Avdeev, Maxim; Uwatoko, Yoshiya; Sekine, Yurina; Fukazawa, Hiroshi; Ma, Jie; Chi, Songxue; Ueda, Yutaka; Yoshizawa, Hideki; Sato, Taku J.

2015-05-01

We investigated the iron-based ladder compounds (Ba,Cs ) Fe2Se3 . Their parent compounds BaFe2Se3 and CsFe2Se3 have different space groups, formal valences of Fe, and magnetic structures. Electrical resistivity, specific heat, magnetic susceptibility, x-ray diffraction, and powder neutron diffraction measurements were conducted to obtain a temperature and composition phase diagram of this system. Block magnetism observed in BaFe2Se3 is drastically suppressed with Cs doping. In contrast, stripe magnetism observed in CsFe2Se3 is not so fragile against Ba doping. A new type of magnetic structure appears in intermediate compositions, which is similar to stripe magnetism of CsFe2Se3 , but interladder spin configuration is different. Intermediate compounds show insulating behavior, nevertheless a finite T -linear contribution in specific heat was obtained at low temperatures.

Monte Carlo simulations of kagome lattices with magnetic dipolar interactions

NASA Astrophysics Data System (ADS)

Plumer, Martin; Holden, Mark; Way, Andrew; Saika-Voivod, Ivan; Southern, Byron

Monte Carlo simulations of classical spins on the two-dimensional kagome lattice with only dipolar interactions are presented. In addition to revealing the sixfold-degenerate ground state, the nature of the finite-temperature phase transition to long-range magnetic order is discussed. Low-temperature states consisting of mixtures of degenerate ground-state configurations separated by domain walls can be explained as a result of competing exchange-like and shape-anisotropy-like terms in the dipolar coupling. Fluctuations between pairs of degenerate spin configurations are found to persist well into the ordered state as the temperature is lowered until locking in to a low-energy state. Results suggest that the system undergoes a continuous phase transition at T ~ 0 . 43 in agreement with previous MC simulations but the nature of the ordering process differs. Preliminary results which extend this analysis to the 3D fcc ABC-stacked kagome systems will be presented.

BEC-BCS crossover and the liquid-gas phase transition in hot and dense nuclear matter

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

Jin Meng; Urban, Michael; Schuck, Peter

2010-08-15

The effect of nucleon-nucleon correlations in symmetric nuclear matter at finite temperature is studied beyond BCS theory. Starting from a Hartree-Fock description of nuclear matter with the Gogny effective interaction, we add correlations corresponding to the formation of preformed pairs and scattering states above the superfluid critical temperature within the in-medium T-matrix approach, which is analogous to the Nozieres-Schmitt-Rink theory. We calculate the critical temperature for a BEC superfluid of deuterons, of a BCS superfluid of nucleons, and in the crossover between these limits. The effect of the correlations on thermodynamic properties (equation of state, energy, entropy) and the liquid-gasmore » phase transition is discussed. Our results show that nucleon-nucleon correlations beyond BCS play an important role for the properties of nuclear matter, especially in the low-density region.« less

Negative Magnetoresistance in Amorphous Indium Oxide Wires

PubMed Central

Mitra, Sreemanta; Tewari, Girish C; Mahalu, Diana; Shahar, Dan

2016-01-01

We study magneto-transport properties of several amorphous Indium oxide nanowires of different widths. The wires show superconducting transition at zero magnetic field, but, there exist a finite resistance at the lowest temperature. The R(T) broadening was explained by available phase slip models. At low field, and far below the superconducting critical temperature, the wires with diameter equal to or less than 100 nm, show negative magnetoresistance (nMR). The magnitude of nMR and the crossover field are found to be dependent on both temperature and the cross-sectional area. We find that this intriguing behavior originates from the interplay between two field dependent contributions. PMID:27876859

Designing shape-memory Heusler alloys from first-principles

NASA Astrophysics Data System (ADS)

Siewert, M.; Gruner, M. E.; Dannenberg, A.; Chakrabarti, A.; Herper, H. C.; Wuttig, M.; Barman, S. R.; Singh, S.; Al-Zubi, A.; Hickel, T.; Neugebauer, J.; Gillessen, M.; Dronskowski, R.; Entel, P.

2011-11-01

The phase diagrams of magnetic shape-memory Heusler alloys, in particular, ternary Ni-Mn-Z and quarternary (Pt, Ni)-Mn-Z alloys with Z = Ga, Sn, have been addressed by density functional theory and Monte Carlo simulations. Finite temperature free energy calculations show that the phonon contribution stabilizes the high-temperature austenite structure while at low temperatures magnetism and the band Jahn-Teller effect favor the modulated monoclinic 14M or the nonmodulated tetragonal structure. The substitution of Ni by Pt leads to a series of magnetic shape-memory alloys with very similar properties to Ni-Mn-Ga but with a maximal eigenstrain of 14%.

Investigating phase transition temperatures of size separated gadolinium silicide magnetic nanoparticles

DOE PAGES

Hunagund, Shivakumar G.; Harstad, Shane M.; El-Gendy, Ahmed A.; ...

2018-01-11

Gadolinium silicide (Gd 5Si 4) nanoparticles (NPs) exhibit different properties compared to their parent bulk materials due to finite size, shape, and surface effects. NPs were prepared by high energy ball-milling of the as-cast Gd 5Si 4 ingot and size separated into eight fractions using time sensitive sedimentation in an applied dc magnetic field with average particle sizes ranging from 700 nm to 82 nm. The largest Gd 5Si 4 NPs order ferromagnetically at 316 K. A second anomaly observed at 110 K can be ascribed to a Gd 5Si 3 impurity. Here as the particle sizes decrease, the volumemore » fraction of Gd 5Si 3 phase increases at the expense of the Gd 5Si 4 phase, and the ferromagnetic transition temperature of Gd 5Si 4 is reduced from 316 K to 310 K, while the ordering of the minor phase is independent of the particle size, remaining at 110 K.« less

Phase structure of NJL model with weak renormalization group

NASA Astrophysics Data System (ADS)

Aoki, Ken-Ichi; Kumamoto, Shin-Ichiro; Yamada, Masatoshi

2018-06-01

We analyze the chiral phase structure of the Nambu-Jona-Lasinio model at finite temperature and density by using the functional renormalization group (FRG). The renormalization group (RG) equation for the fermionic effective potential V (σ ; t) is given as a partial differential equation, where σ : = ψ bar ψ and t is a dimensionless RG scale. When the dynamical chiral symmetry breaking (DχSB) occurs at a certain scale tc, V (σ ; t) has singularities originated from the phase transitions, and then one cannot follow RG flows after tc. In this study, we introduce the weak solution method to the RG equation in order to follow the RG flows after the DχSB and to evaluate the dynamical mass and the chiral condensate in low energy scales. It is shown that the weak solution of the RG equation correctly captures vacuum structures and critical phenomena within the pure fermionic system. We show the chiral phase diagram on temperature, chemical potential and the four-Fermi coupling constant.

Investigating phase transition temperatures of size separated gadolinium silicide magnetic nanoparticles

NASA Astrophysics Data System (ADS)

Hunagund, Shivakumar G.; Harstad, Shane M.; El-Gendy, Ahmed A.; Gupta, Shalabh; Pecharsky, Vitalij K.; Hadimani, Ravi L.

2018-05-01

Gadolinium silicide (Gd5Si4) nanoparticles (NPs) exhibit different properties compared to their parent bulk materials due to finite size, shape, and surface effects. NPs were prepared by high energy ball-milling of the as-cast Gd5Si4 ingot and size separated into eight fractions using time sensitive sedimentation in an applied dc magnetic field with average particle sizes ranging from 700 nm to 82 nm. The largest Gd5Si4 NPs order ferromagnetically at 316 K. A second anomaly observed at 110 K can be ascribed to a Gd5Si3 impurity. As the particle sizes decrease, the volume fraction of Gd5Si3 phase increases at the expense of the Gd5Si4 phase, and the ferromagnetic transition temperature of Gd5Si4 is reduced from 316 K to 310 K, while the ordering of the minor phase is independent of the particle size, remaining at 110 K.

Mathematical model of phase transformations and elastoplastic stress in the water spray quenching of steel bars

NASA Astrophysics Data System (ADS)

Nagasaka, Y.; Brimacombe, J. K.; Hawbolt, E. B.; Samarasekera, I. V.; Hernandez-Morales, B.; Chidiac, S. E.

1993-04-01

A mathematical model, based on the finite-element technique and incorporating thermo-elasto-plastic behavior during the water spray quenching of steel, has been developed. In the model, the kinetics of diffusion-dependent phase transformation and martensitic transformation have been coupled with the transient heat flow to predict the microstructural evolution of the steel. Furthermore, an elasto-plastic constitutive relation has been applied to calculate internal stresses resulting from phase changes as well as temperature variation. The computer code has been verified for internal consistency with previously published results for pure iron bars. The model has been applied to the water spray quenching of two grades of steel bars, 1035 carbon and nickel-chromium alloyed steel; the calculated temperature, hardness, distortion, and residual stresses in the bars agreed well with experimental measurements. The results show that the phase changes occurring during this process affect the internal stresses significantly and must be included in the thermomechanical model.

Investigating phase transition temperatures of size separated gadolinium silicide magnetic nanoparticles

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

Hunagund, Shivakumar G.; Harstad, Shane M.; El-Gendy, Ahmed A.

Gadolinium silicide (Gd 5Si 4) nanoparticles (NPs) exhibit different properties compared to their parent bulk materials due to finite size, shape, and surface effects. NPs were prepared by high energy ball-milling of the as-cast Gd 5Si 4 ingot and size separated into eight fractions using time sensitive sedimentation in an applied dc magnetic field with average particle sizes ranging from 700 nm to 82 nm. The largest Gd 5Si 4 NPs order ferromagnetically at 316 K. A second anomaly observed at 110 K can be ascribed to a Gd 5Si 3 impurity. Here as the particle sizes decrease, the volumemore » fraction of Gd 5Si 3 phase increases at the expense of the Gd 5Si 4 phase, and the ferromagnetic transition temperature of Gd 5Si 4 is reduced from 316 K to 310 K, while the ordering of the minor phase is independent of the particle size, remaining at 110 K.« less

Critical weight statistics of the random energy model and of the directed polymer on the Cayley tree

NASA Astrophysics Data System (ADS)

Monthus, Cécile; Garel, Thomas

2007-05-01

We consider the critical point of two mean-field disordered models: (i) the random energy model (REM), introduced by Derrida as a mean-field spin-glass model of N spins and (ii) the directed polymer of length N on a Cayley Tree (DPCT) with random bond energies. Both models are known to exhibit a freezing transition between a high-temperature phase where the entropy is extensive and a low-temperature phase of finite entropy, where the weight statistics coincides with the weight statistics of Lévy sums with index μ=T/Tc<1 . In this paper, we study the weight statistics at criticality via the entropy S=-∑wilnwi and the generalized moments Yk=∑wik , where the wi are the Boltzmann weights of the 2N configurations. In the REM, we find that the critical weight statistics is governed by the finite-size exponent ν=2 : the entropy scales as Smacr N(Tc)˜N1/2 , the typical values elnYk¯ decay as N-k/2 , and the disorder-averaged values Yk¯ are governed by rare events and decay as N-1/2 for any k>1 . For the DPCT, we find that the entropy scales similarly as Smacr N(Tc)˜N1/2 , whereas another exponent ν'=1 governs the Yk statistics: the typical values elnYk¯ decay as N-k , and the disorder-averaged values Yk¯ decay as N-1 for any k>1 . As a consequence, the asymptotic probability distribution π¯N=∞(q) of the overlap q , in addition to the delta function δ(q) , which bears the whole normalization, contains an isolated point at q=1 , as a memory of the delta peak (1-T/Tc)δ(q-1) of the low-temperature phase T

Tricriticality of the Blume-Emery-Griffiths model in thin films of stacked triangular lattices

NASA Astrophysics Data System (ADS)

El Hog, Sahbi; Diep, H. T.

2016-03-01

We study in this paper the Blume-Emery-Griffiths model in a thin film of stacked triangular lattices. The model is described by three parameters: bilinear exchange interaction between spins J, quadratic exchange interaction K and single-ion anisotropy D. The spin Si at the lattice site i takes three values (-1, 0, +1). This model can describe the mixing phase of He-4 (Si = +1,-1) and He-3 (Si = 0) at low temperatures. Using Monte Carlo simulations, we show that there exists a critical value of D below (above) which the transition is of second-(first-)order. In general, the temperature dependence of the concentrations of He-3 is different from layer by layer. At a finite temperature in the superfluid phase, the film surface shows a deficit of He-4 with respect to interior layers. However, effects of surface interaction parameters can reverse this situation. Effects of the film thickness on physical properties will be also shown as functions of temperature.

Structural, magnetic and optical properties of ZnO nanostructures converted from ZnS nanoparticles

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

Patel, Prayas Chandra; Ghosh, Surajit; Srivastava, P.C., E-mail: pcsrivastava50@gmail.com

Graphical abstract: The phase conversion of ZnS to highly crystalline hexagonal ZnO was done by heat treatment. - Highlights: • Phase change of cubic ZnS to hexagonal ZnO via heat treatment. • Band gap was found to decrease with increasing calcinations temperature. • ZnO samples have higher magnetic moment than ZnS. • Blocking Temperature of the samples is well above room temperature. • Maximum negative%MR with saturation value ∼38% was found for sample calcined at 600° C. - Abstract: The present work concentrates on the synthesis of cubic ZnS and hexagonal ZnO semiconducting nanoparticle from same precursor via co-precipitation method.more » The phase conversion of ZnS to highly crystalline hexagonal ZnO was done by heat treatment. From the analysis of influence of calcination temperature on the structural, optical and vibrational properties of the samples, an optimum temperature was found for the total conversion of ZnS nanoparticles to ZnO. Role of quantum confinement due to finite size is evident from the blue shift of the fundamental absorption in UV–vis spectra only in the ZnS nanoparticles. The semiconducting nature of the prepared samples is confirmed from the UV–vis, PL study and transport study. From the magnetic and transport studies, pure ZnO phase was found to be more prone to magnetic field.« less

Combined effects of Sr substitution and pressure on the ground states in CaFe2As2

NASA Astrophysics Data System (ADS)

Knöner, S.; Gati, E.; Köhler, S.; Wolf, B.; Tutsch, U.; Ran, S.; Torikachvili, M. S.; Bud'ko, S. L.; Canfield, P. C.; Lang, M.

2016-10-01

We present a detailed study of the combined effects of Sr substitution and hydrostatic pressure on the ground-state properties of CaFe2As2 . Measurements of the electrical resistance and magnetic susceptibility, both at ambient and finite pressure P ≤2 GPa, were performed on Ca1 -xSrxFe2As2 single crystals grown out of Sn flux. We find that by Sr substitution the transition temperature to the magnetic/structural phase is enhanced and therefore a higher pressure is needed to suppress the transition to lowest temperature. In addition, the transition to the collapsed tetragonal phase is found at a pressure, which is distinctly higher than in the pure compound. This implies that the stability ranges of both phases shift on the pressure-axis upon doping, but the latter one with a higher rate. These observations suggest the possibility of separating the two phase lines, which intersect already at elevated temperatures for x =0 and low Sr concentration levels. For x =0.177 , we find strong evidence that both phases remain separated down to the lowest temperature and that a zero-resistance state emerges in this intermediate pressure window. This observation indicates that Sr substitution combined with hydrostatic pressure provides another route for stabilizing superconductivity in CaFe2As2 . Our results are consistent with the notion that (i) preserving the fluctuations associated with the structural-magnetic transition to low temperatures is vital for superconductivity to form in this material and that (ii) the nonmagnetic collapsed tetragonal phase is detrimental for superconductivity.

Insight into structural phase transitions from the decoupled anharmonic mode approximation

NASA Astrophysics Data System (ADS)

Adams, Donat J.; Passerone, Daniele

2016-08-01

We develop a formalism (decoupled anharmonic mode approximation, DAMA) that allows calculation of the vibrational free energy using density functional theory even for materials which exhibit negative curvature of the potential energy surface with respect to atomic displacements. We investigate vibrational modes beyond the harmonic approximation and approximate the potential energy surface with the superposition of the accurate potential along each normal mode. We show that the free energy can stabilize crystal structures at finite temperatures which appear dynamically unstable at T  =  0. The DAMA formalism is computationally fast because it avoids statistical sampling through molecular dynamics calculations, and is in principle completely ab initio. It is free of statistical uncertainties and independent of model parameters, but can give insight into the mechanism of a structural phase transition. We apply the formalism to the perovskite cryolite, and investigate the temperature-driven phase transition from the P21/n to the Immm space group. We calculate a phase transition temperature between 710 and 950 K, in fair agreement with the experimental value of 885 K. This can be related to the underestimation of the interaction of the vibrational states. We also calculate the main axes of the thermal ellipsoid and can explain the experimentally observed increase of its volume for the fluorine by 200-300% throughout the phase transition. Our calculations suggest the appearance of tunneling states in the high temperature phase. The convergence of the vibrational DOS and of the critical temperature with respect of reciprocal space sampling is investigated using the polarizable-ion model.

Insight into structural phase transitions from the decoupled anharmonic mode approximation.

PubMed

Adams, Donat J; Passerone, Daniele

2016-08-03

We develop a formalism (decoupled anharmonic mode approximation, DAMA) that allows calculation of the vibrational free energy using density functional theory even for materials which exhibit negative curvature of the potential energy surface with respect to atomic displacements. We investigate vibrational modes beyond the harmonic approximation and approximate the potential energy surface with the superposition of the accurate potential along each normal mode. We show that the free energy can stabilize crystal structures at finite temperatures which appear dynamically unstable at T  =  0. The DAMA formalism is computationally fast because it avoids statistical sampling through molecular dynamics calculations, and is in principle completely ab initio. It is free of statistical uncertainties and independent of model parameters, but can give insight into the mechanism of a structural phase transition. We apply the formalism to the perovskite cryolite, and investigate the temperature-driven phase transition from the P21/n to the Immm space group. We calculate a phase transition temperature between 710 and 950 K, in fair agreement with the experimental value of 885 K. This can be related to the underestimation of the interaction of the vibrational states. We also calculate the main axes of the thermal ellipsoid and can explain the experimentally observed increase of its volume for the fluorine by 200-300% throughout the phase transition. Our calculations suggest the appearance of tunneling states in the high temperature phase. The convergence of the vibrational DOS and of the critical temperature with respect of reciprocal space sampling is investigated using the polarizable-ion model.

A total variation diminishing finite difference algorithm for sonic boom propagation models

NASA Technical Reports Server (NTRS)

Sparrow, Victor W.

1993-01-01

It is difficult to accurately model the rise phases of sonic boom waveforms with traditional finite difference algorithms because of finite difference phase dispersion. This paper introduces the concept of a total variation diminishing (TVD) finite difference method as a tool for accurately modeling the rise phases of sonic booms. A standard second order finite difference algorithm and its TVD modified counterpart are both applied to the one-way propagation of a square pulse. The TVD method clearly outperforms the non-TVD method, showing great potential as a new computational tool in the analysis of sonic boom propagation.

Effect of disappearance of rhombohedral phase on the dielectric properties of novel BiFe1-xCoxO3

NASA Astrophysics Data System (ADS)

Tiwary, S.; Kuila, S.; Sahoo, M. R.; Barik, A.; Vishwakarma, P. N.

2018-04-01

Through this report, we intend to highlight the effect of R3c phase in the BiFe1-xCoxO3: x=33, 34. Study of impedance and modulus spectra points towards lower activation energy of resistance as compared to capacitance relaxation, as the cause for finite conductivity at near and above room temperature. Magnetodielectric study shows decrease in its value by half, because of absence of R3c phase in the sample. Due to absence of R3c phase, the activation energy of capacitance relaxation is also found to increase by three times. It thus shows that R3c phase is very important for having capacitance relaxation in this sample system.

Study of the Z{sub 3} symmetry in QCD at finite temperature and chemical potential using a worm algorithm

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

Krein, Gastao; Leme, Rafael R.; Woitek, Marcio

Traditional Monte Carlo simulations of QCD in the presence of a baryon chemical potential are plagued by the complex phase problem and new numerical approaches are necessary for studying the phase diagram of the theory. In this work we consider a Z{sub 3} Polyakov loop model for the deconfining phase transition in QCD and discuss how a flux representation of the model in terms of dimer and monomer variable solves the complex action problem. We present results of numerical simulations using a worm algorithm for the specific heat and two-point correlation function of Polyakov loops. Evidences of a first ordermore » deconfinement phase transition are discussed.« less

Finite Density Condensation and Scattering Data: A Study in ϕ4 Lattice Field Theory

NASA Astrophysics Data System (ADS)

Gattringer, Christof; Giuliani, Mario; Orasch, Oliver

2018-06-01

We study the quantum field theory of a charged ϕ4 field in lattice regularization at finite density and low temperature in 2 and 4 dimensions with the goal of analyzing the connection of condensation phenomena to scattering data in a nonperturbative way. The sign problem of the theory at nonzero chemical potential μ is overcome by using a worldline representation for the Monte Carlo simulation. At low temperature we study the particle number as a function of μ and observe the steps for 1-, 2-, and 3-particle condensation. We determine the corresponding critical values μncrit , n =1 , 2, 3 and analyze their dependence on the spatial extent L of the lattice. Linear combinations of the μncrit give the interaction energies in the 2- and 3-particle sectors and their dependence on L is related to scattering data by Lüscher's formula and its generalizations to three particles. For two dimensions we determine the scattering phase shift and for four dimensions the scattering length. We cross-check our results with a determination of the mass and the 2- and 3-particle energies from conventional 2-, 4-, and 6-point correlators at zero chemical potential. The letter demonstrates that the physics of condensation at finite density and low temperature is closely related to scattering data of a quantum field theory.

Homogeneous hydride formation path in α-Zr: Molecular dynamics simulations with the charge-optimized many-body potential

DOE PAGES

Zhang, Yongfeng; Bai, Xian-Ming; Yu, Jianguo; ...

2016-06-01

A formation path for homogeneous γ hydride formation in hcp α-Zr, from solid solution to the ζ and then the γ hydride, was demonstrated using molecular static calculations and molecular dynamic simulations with the charge-optimized many-body (COMB) potential. Hydrogen has limited solubility in α-Zr. Once the solubility limit is exceeded, the stability of solid solution gives way to that of coherent hydride phases such as the ζ hydride by planar precipitation of hydrogen. At finite temperatures, the ζ hydride goes through a partial hcp-fcc transformation via 1/3 <1¯100> slip on the basal plane, and transforms into a mixture of γmore » hydride and α-Zr. In the ζ hydride, slip on the basal plane is favored thermodynamically with negligible barrier, and is therefore feasible at finite temperatures without mechanical loading. The transformation process involves slips of three equivalent shear partials, in contrast to that proposed in the literature where only a single shear partial was involved. The adoption of multiple slip partials minimizes the macroscopic shape change of embedded hydride clusters and the shear strain accumulation in the matrix, and thus reduces the overall barrier needed for homogeneous γ hydride formation. In conclusion, this formation path requires finite temperatures for hydrogen diffusion without mechanical loading. Therefore, it should be effective at the cladding operating conditions.« less

Superconducting dome in doped quasi-two-dimensional organic Mott insulators: A paradigm for strongly correlated superconductivity

NASA Astrophysics Data System (ADS)

Hébert, Charles-David; Sémon, Patrick; Tremblay, A.-M. S.

2015-11-01

Layered organic superconductors of the BEDT family are model systems for understanding the interplay of the Mott transition with superconductivity, magnetic order, and frustration, ingredients that are essential to understand superconductivity also in the cuprate high-temperature superconductors. Recent experimental studies on a hole-doped version of the organic compounds reveals an enhancement of superconductivity and a rapid crossover between two different conducting phases above the superconducting dome. One of these phases is a Fermi liquid, the other not. Using plaquette cellular dynamical mean field theory with state-of-the-art continuous-time quantum Monte Carlo calculations, we study this problem with the two-dimensional Hubbard model on the anisotropic triangular lattice. Phase diagrams as a function of temperature T and interaction strength U /t are obtained for anisotropy parameters t'=0.4 t ,t'=0.8 t and for various fillings. As in the case of the cuprates, we find, at finite doping, a first-order transition between two normal-state phases. One of theses phases has a pseudogap while the other does not. At temperatures above the critical point of the first-order transition, there is a Widom line where crossovers occur. The maximum (optimal) superconducting critical temperature Tcm at finite doping is enhanced by about 25% compared with its maximum at half filling and the range of U /t where superconductivity appears is greatly extended. These results are in broad agreement with experiment. Also, increasing frustration (larger t'/t ) significantly reduces magnetic ordering, as expected. This suggests that for compounds with intermediate to high frustration, very light doping should reveal the influence of the first-order transition and associated crossovers. These crossovers could possibly be even visible in the superconducting phase through subtle signatures. We also predict that destroying the superconducting phase by a magnetic field should reveal the first-order transition between metal and pseudogap. Finally, we predict that electron doping should also lead to an increased range of U /t for superconductivity but with a reduced maximum Tc. This work also clearly shows that the superconducting dome in organic superconductors is tied to the Mott transition and its continuation as a transition separating pseudogap phase from correlated metal in doped compounds, as in the cuprates. Contrary to heavy fermions for example, the maximum Tc is definitely not attached to an antiferromagnetic quantum critical point. That can also be verified experimentally.

A Finite-Rate-Catalytic Model For Hypersonic Flows Informed By Molecular Dynamics

NASA Astrophysics Data System (ADS)

Schwartzentruber, T. E.; Valentini, P.; Norman, P.; Sorensen, C.

2011-05-01

The implementation of a finite-rate catalytic (FRC) wall boundary condition within a general 3D unstructured CFD solver is described. A set of one-step gas-surface chemical equations and atomistic parameters that deter- mine the reaction rates must be prescribed as input to the model. The chemical rate equations are solved at each wall face in the CFD simulation and result in a net production of species at the wall. In order for a finite- rate gas-surface reaction model to be consistent at equilibrium, it is determined that not all forward and back- ward rates can be specified arbitrarily. Provided that the forward rates for each surface recombination are as- signed, the backward rates must be determined using equilibrium constants that are consistent with the gas- phase chemistry model and thermodynamics. Reactive molecular dynamics (MD) simulations are performed us- ing the ReaxFFSiO potential to investigate oxygen-silica interactions. β-quartz and amorphous SiO2 surfaces are accommodated to a high temperature gas via MD simulation and reach a steady-state surface coverage. In addition to stable surface reconstructions a number of active sites are observed on which recombination occurs. Single collision MD simulations are performed where gas-phase oxygen atoms interact with the most dominant active site. Probabilities of recombination are found to have an exponential trend with gas-surface system temperature. The MD simulations are used to determine the activation energy for Eley-Rideal recombination of oxygen on a specific silica active site which is an important input parameter for the FRC model.

Structural, thermodynamic, and electronic properties of Laves-phase NbMn2 from first principles, x-ray diffraction, and calorimetric experiments

NASA Astrophysics Data System (ADS)

Yan, X.; Chen, Xing-Qiu; Michor, H.; Wolf, W.; Witusiewicz, V. T.; Bauer, E.; Podloucky, R.; Rogl, P.

2018-03-01

By combining theoretical density functional theory (DFT) and experimental studies, structural and magnetic phase stabilities and electronic structural, elastic, and vibrational properties of the Laves-phase compound NbMn2 have been investigated for the C14, C15, and C36 crystal structures. At low temperatures C14 is the ground-state structure, with ferromagnetic and antiferromagnetic orderings being degenerate in energy. The degenerate spin configurations result in a rather large electronic density of states at Fermi energy for all magnetic cases, even for the spin-polarized DFT calculations. Based on the DFT-derived phonon dispersions and densities of states, temperature-dependent free energies were derived for the ferromagnetic and antiferromagnetic C14 phase, demonstrating that the spin-configuration degeneracy possibly exists up to finite temperatures. The heat of formation Δ298H0=-45.05 ±3.64 kJ (molf .u .NbMn2) -1 was extracted from drop isoperibolic calorimetry in a Ni bath. The DFT-derived enthalpy of formation of NbMn2 is in good agreement with the calorimetric measurements. Second-order elastic constants for NbMn2 as well as for related compounds were calculated.

Equation of state of paramagnetic CrN from ab initio molecular dynamics

NASA Astrophysics Data System (ADS)

Steneteg, Peter; Alling, Björn; Abrikosov, Igor A.

2012-04-01

The equation of state for chromium nitride has been debated in the literature in connection with a proposed collapse of its bulk modulus following the pressure-induced transition from the paramagnetic cubic phase to the antiferromagnetic orthorhombic phase [F. Rivadulla , Nature Mater.1476-112210.1038/nmat2549 8, 947 (2009); B. Alling , Nature Mater.1476-112210.1038/nmat2722 9, 283 (2010)]. Experimentally the measurements are complicated due to the low transition pressure, while theoretically the simulation of magnetic disorder represents a major challenge. Here a first-principles method is suggested for the calculation of thermodynamic properties of magnetic materials in their high-temperature paramagnetic phase. It is based on ab initio molecular dynamics and simultaneous redistributions of the disordered but finite local magnetic moments. We apply this disordered local moments molecular dynamics method to the case of CrN and simulate its equation of state. In particular the debated bulk modulus is calculated in the paramagnetic cubic phase and is shown to be very similar to that of the antiferromagnetic orthorhombic CrN phase for all considered temperatures.

Numerical Simulation of Transient Liquid Phase Bonding under Temperature Gradient

NASA Astrophysics Data System (ADS)

Ghobadi Bigvand, Arian

Transient Liquid Phase bonding under Temperature Gradient (TG-TLP bonding) is a relatively new process of TLP diffusion bonding family for joining difficult-to-weld aerospace materials. Earlier studies have suggested that in contrast to the conventional TLP bonding process, liquid state diffusion drives joint solidification in TG-TLP bonding process. In the present work, a mass conservative numerical model that considers asymmetry in joint solidification is developed using finite element method to properly study the TG-TLP bonding process. The numerical results, which are experimentally verified, show that unlike what has been previously reported, solid state diffusion plays a major role in controlling the solidification behavior during TG-TLP bonding process. The newly developed model provides a vital tool for further elucidation of the TG-TLP bonding process.

Metal-insulator-superconductor transition of spin-3/2 atoms on optical lattices

NASA Astrophysics Data System (ADS)

De Silva, Theja N.

2018-01-01

We use a slave-rotor approach within a mean-field theory to study the competition of metallic, Mott-insulating, and superconducting phases of spin-3/2 fermions subjected to a periodic optical lattice potential. In addition to the metallic, the Mott-insulating, and the superconducting phases that are associated with the gauge symmetry breaking of the spinon field, we identify an emerging superconducting phase that breaks both roton and spinon field gauge symmetries. This superconducting phase emerges as a result of the competition between spin-0 singlet and spin-2 quintet interaction channels naturally available for spin-3/2 systems. The two superconducting phases can be distinguished from each other by quasiparticle weight. We further discuss the properties of these phases for both two-dimensional square and three-dimensional cubic lattices at zero and finite temperatures.

Modeling and impacts of the latent heat of phase change and specific heat for phase change materials

NASA Astrophysics Data System (ADS)

Scoggin, J.; Khan, R. S.; Silva, H.; Gokirmak, A.

2018-05-01

We model the latent heats of crystallization and fusion in phase change materials with a unified latent heat of phase change, ensuring energy conservation by coupling the heat of phase change with amorphous and crystalline specific heats. We demonstrate the model with 2-D finite element simulations of Ge2Sb2Te5 and find that the heat of phase change increases local temperature up to 180 K in 300 nm × 300 nm structures during crystallization, significantly impacting grain distributions. We also show in electrothermal simulations of 45 nm confined and 10 nm mushroom cells that the higher amorphous specific heat predicted by this model increases nucleation probability at the end of reset operations. These nuclei can decrease set time, leading to variability, as demonstrated for the mushroom cell.

Self-assembled quantum dots in a liquid-crystal-tunable microdisk resonator

NASA Astrophysics Data System (ADS)

Piegdon, Karoline A.; Offer, Matthias; Lorke, Axel; Urbanski, Martin; Hoischen, Andreas; Kitzerow, Heinz-S.; Declair, Stefan; Förstner, Jens; Meier, Torsten; Reuter, Dirk; Wieck, Andreas D.; Meier, Cedrik

2010-09-01

GaAs-based semiconductor microdisks with high quality whispering gallery modes ( Q>4000) have been fabricated. A layer of self-organized InAs quantum dots (QDs) served as a light source to feed the optical modes at room temperature. In order to achieve frequency tuning of the optical modes, the microdisk devices have been immersed in 4-cyano-4-pentylbiphenyl (5CB), a liquid crystal (LC) with a nematic phase below the clearing temperature of TC≈34C. We have studied the device performance in the temperature range of T=20-50C, in order to investigate the influence of the nematic-isotropic phase transition on the optical modes. Moreover, we have applied an AC electric field to the device, which leads in the nematic phase to a reorientation of the anisotropic dielectric tensor of the liquid crystal. This electrical anisotropy can be used to achieve electrical tunability of the optical modes. Using the finite-difference time domain (FDTD) technique with an anisotropic material model, we are able to describe the influence of the liquid crystal qualitatively.

A Two-Dimensional Liquid Structure Explains the Elevated Melting Temperatures of Gallium Nanoclusters.

PubMed

Steenbergen, Krista G; Gaston, Nicola

2016-01-13

Melting in finite-sized materials differs in two ways from the solid-liquid phase transition in bulk systems. First, there is an inherent scaling of the melting temperature below that of the bulk, known as melting point depression. Second, at small sizes changes in melting temperature become nonmonotonic and show a size-dependence that is sensitive to the structure of the particle. Melting temperatures that exceed those of the bulk material have been shown to occur for a very limited range of nanoclusters, including gallium, but have still never been ascribed a convincing physical explanation. Here, we analyze the structure of the liquid phase in gallium clusters based on molecular dynamics simulations that reproduce the greater-than-bulk melting behavior observed in experiments. We observe persistent nonspherical shape distortion indicating a stabilization of the surface, which invalidates the paradigm of melting point depression. This shape distortion suggests that the surface acts as a constraint on the liquid state that lowers its entropy relative to that of the bulk liquid and thus raises the melting temperature.

Density-functional theory computer simulations of CZTS0.25Se0.75 alloy phase diagrams

NASA Astrophysics Data System (ADS)

Chagarov, E.; Sardashti, K.; Haight, R.; Mitzi, D. B.; Kummel, A. C.

2016-08-01

Density-functional theory simulations of CZTS, CZTSe, and CZTS0.25Se0.75 photovoltaic compounds have been performed to investigate the stability of the CZTS0.25Se0.75 alloy vs. decomposition into CZTS, CZTSe, and other secondary compounds. The Gibbs energy for vibrational contributions was estimated by calculating phonon spectra and thermodynamic properties at finite temperatures. It was demonstrated that the CZTS0.25Se0.75 alloy is stabilized not by enthalpy of formation but primarily by the mixing contributions to the Gibbs energy. The Gibbs energy gains/losses for several decomposition reactions were calculated as a function of temperature with/without intermixing and vibration contributions to the Gibbs energy. A set of phase diagrams was built in the multidimensional space of chemical potentials at 300 K and 900 K temperatures to demonstrate alloy stability and boundary compounds at various chemical conditions. It demonstrated for CZTS0.25Se0.75 that the chemical potentials for stability differ between typical processing temperature (˜900 K) and operating temperature (300 K). This implies that as cooling progresses, the flux/concentration of S should be increased in MBE growth to maintain the CZTS0.25Se0.75 in a thermodynamically stable state to minimize phase decomposition.

Entanglement entropy and complexity for one-dimensional holographic superconductors

NASA Astrophysics Data System (ADS)

Kord Zangeneh, Mahdi; Ong, Yen Chin; Wang, Bin

2017-08-01

Holographic superconductor is an important arena for holography, as it allows concrete calculations to further understand the dictionary between bulk physics and boundary physics. An important quantity of recent interest is the holographic complexity. Conflicting claims had been made in the literature concerning the behavior of holographic complexity during phase transition. We clarify this issue by performing a numerical study on one-dimensional holographic superconductor. Our investigation shows that holographic complexity does not behave in the same way as holographic entanglement entropy. Nevertheless, the universal terms of both quantities are finite and reflect the phase transition at the same critical temperature.

Kinetic Phase Diagrams of Ternary Al-Cu-Li System during Rapid Solidification: A Phase-Field Study

PubMed Central

Yang, Xiong; Zhang, Lijun; Sobolev, Sergey; Du, Yong

2018-01-01

Kinetic phase diagrams in technical alloys at different solidification velocities during rapid solidification are of great importance for guiding the novel alloy preparation, but are usually absent due to extreme difficulty in performing experimental measurements. In this paper, a phase-field model with finite interface dissipation was employed to construct kinetic phase diagrams in the ternary Al-Cu-Li system for the first time. The time-elimination relaxation scheme was utilized. The solute trapping phenomenon during rapid solidification could be nicely described by the phase-field simulation, and the results obtained from the experiment measurement and/or the theoretical model were also well reproduced. Based on the predicted kinetic phase diagrams, it was found that with the increase of interface moving velocity and/or temperature, the gap between the liquidus and solidus gradually reduces, which illustrates the effect of solute trapping and tendency of diffusionless solidification. PMID:29419753

Meson properties and phase diagrams in a SU(3) nonlocal PNJL model with lattice-QCD-inspired form factors

NASA Astrophysics Data System (ADS)

Carlomagno, J. P.

2018-05-01

We study the features of a nonlocal SU(3) Polyakov-Nambu-Jona-Lasinio model that includes wave-function renormalization. Model parameters are determined from vacuum phenomenology considering lattice-QCD-inspired nonlocal form factors. Within this framework, we analyze the properties of light scalar and pseudoscalar mesons at finite temperature and chemical potential determining characteristics of deconfinement and chiral restoration transitions.

Finite Element Analysis of Lamb Waves Acting within a Thin Aluminum Plate

DTIC Science & Technology

2007-09-01

signal to avoid time aliasing % LambWaveMode % lamb wave mode to simulate; use proper phase velocity curve % thickness % thickness of...analysis of the simulated signal response data demonstrated that elevated temperatures delay wave propagation, although the delays are minimal at the...Echo Techniques Ultrasonic NDE techniques are based on the propagation and reflection of elastic waves , with the assumption that damage in the

Computational understanding of Li-ion batteries

NASA Astrophysics Data System (ADS)

Urban, Alexander; Seo, Dong-Hwa; Ceder, Gerbrand

2016-03-01

Over the last two decades, computational methods have made tremendous advances, and today many key properties of lithium-ion batteries can be accurately predicted by first principles calculations. For this reason, computations have become a cornerstone of battery-related research by providing insight into fundamental processes that are not otherwise accessible, such as ionic diffusion mechanisms and electronic structure effects, as well as a quantitative comparison with experimental results. The aim of this review is to provide an overview of state-of-the-art ab initio approaches for the modelling of battery materials. We consider techniques for the computation of equilibrium cell voltages, 0-Kelvin and finite-temperature voltage profiles, ionic mobility and thermal and electrolyte stability. The strengths and weaknesses of different electronic structure methods, such as DFT+U and hybrid functionals, are discussed in the context of voltage and phase diagram predictions, and we review the merits of lattice models for the evaluation of finite-temperature thermodynamics and kinetics. With such a complete set of methods at hand, first principles calculations of ordered, crystalline solids, i.e., of most electrode materials and solid electrolytes, have become reliable and quantitative. However, the description of molecular materials and disordered or amorphous phases remains an important challenge. We highlight recent exciting progress in this area, especially regarding the modelling of organic electrolytes and solid-electrolyte interfaces.

Yang-Mills correlators across the deconfinement phase transition

NASA Astrophysics Data System (ADS)

Reinosa, U.; Serreau, J.; Tissier, M.; Tresmontant, A.

2017-02-01

We compute the finite temperature ghost and gluon propagators of Yang-Mills theory in the Landau-DeWitt gauge. The background field that enters the definition of the latter is intimately related with the (gauge-invariant) Polyakov loop and serves as an equivalent order parameter for the deconfinement transition. We use an effective gauge-fixed description where the nonperturbative infrared dynamics of the theory is parametrized by a gluon mass which, as argued elsewhere, may originate from the Gribov ambiguity. In this scheme, one can perform consistent perturbative calculations down to infrared momenta, which have been shown to correctly describe the phase diagram of Yang-Mills theories in four dimensions as well as the zero-temperature correlators computed in lattice simulations. In this article, we provide the one-loop expressions of the finite temperature Landau-DeWitt ghost and gluon propagators for a large class of gauge groups and present explicit results for the SU(2) case. These are substantially different from those previously obtained in the Landau gauge, which corresponds to a vanishing background field. The nonanalyticity of the order parameter across the transition is directly imprinted onto the propagators in the various color modes. In the SU(2) case, this leads, for instance, to a cusp in the electric and magnetic gluon susceptibilities as well as similar signatures in the ghost sector. We mention the possibility that such distinctive features of the transition could be measured in lattice simulations in the background field gauge studied here.

INFLUENCE OF MATERIAL MODELS ON PREDICTING THE FIRE BEHAVIOR OF STEEL COLUMNS.

PubMed

Choe, Lisa; Zhang, Chao; Luecke, William E; Gross, John L; Varma, Amit H

2017-01-01

Finite-element (FE) analysis was used to compare the high-temperature responses of steel columns with two different stress-strain models: the Eurocode 3 model and the model proposed by National Institute of Standards and Technology (NIST). The comparisons were made in three different phases. The first phase compared the critical buckling temperatures predicted using forty seven column data from five different laboratories. The slenderness ratios varied from 34 to 137, and the applied axial load was 20-60 % of the room-temperature capacity. The results showed that the NIST model predicted the buckling temperature as or more accurately than the Eurocode 3 model for four of the five data sets. In the second phase, thirty unique FE models were developed to analyze the W8×35 and W14×53 column specimens with the slenderness ratio about 70. The column specimens were tested under steady-heating conditions with a target temperature in the range of 300-600 °C. The models were developed by combining the material model, temperature distributions in the specimens, and numerical scheme for non-linear analyses. Overall, the models with the NIST material properties and the measured temperature variations showed the results comparable to the test data. The deviations in the results from two different numerical approaches (modified Newton Raphson vs. arc-length) were negligible. The Eurocode 3 model made conservative predictions on the behavior of the column specimens since its retained elastic moduli are smaller than those of the NIST model at elevated temperatures. In the third phase, the column curves calibrated using the NIST model was compared with those prescribed in the ANSI/AISC-360 Appendix 4. The calibrated curve significantly deviated from the current design equation with increasing temperature, especially for the slenderness ratio from 50 to 100.

Thermal Modeling of Al-Al and Al-Steel Friction Stir Spot Welding

NASA Astrophysics Data System (ADS)

Jedrasiak, P.; Shercliff, H. R.; Reilly, A.; McShane, G. J.; Chen, Y. C.; Wang, L.; Robson, J.; Prangnell, P.

2016-09-01

This paper presents a finite element thermal model for similar and dissimilar alloy friction stir spot welding (FSSW). The model is calibrated and validated using instrumented lap joints in Al-Al and Al-Fe automotive sheet alloys. The model successfully predicts the thermal histories for a range of process conditions. The resulting temperature histories are used to predict the growth of intermetallic phases at the interface in Al-Fe welds. Temperature predictions were used to study the evolution of hardness of a precipitation-hardened aluminum alloy during post-weld aging after FSSW.

Ground-state factorization and correlations with broken symmetry

NASA Astrophysics Data System (ADS)

Tomasello, B.; Rossini, D.; Hamma, A.; Amico, L.

2011-10-01

We show how the phenomenon of factorization in a quantum many-body system is of collective nature. To this aim we study the quantum discord Q in the one-dimensional XY model in a transverse field. We analyze the behavior of Q at both the critical point and at the non-critical factorizing field. The factorization is found to be governed by an exponential scaling law for Q. We also address the thermal effects fanning out from the anomalies occurring at zero temperature. Close to the quantum phase transition, Q exhibits a finite-temperature crossover with universal scaling behavior, while the factorization phenomenon results in a non-trivial pattern of correlations present at low temperature.

Critical behavior and dimension crossover of pion superfluidity

NASA Astrophysics Data System (ADS)

Wang, Ziyue; Zhuang, Pengfei

2016-09-01

We investigate the critical behavior of pion superfluidity in the framework of the functional renormalization group (FRG). By solving the flow equations in the SU(2) linear sigma model at finite temperature and isospin density, and making comparison with the fixed point analysis of a general O (N ) system with continuous dimension, we find that the pion superfluidity is a second order phase transition subject to an O (2 ) universality class with a dimension crossover from dc=4 to dc=3 . This phenomenon provides a concrete example of dimension reduction in thermal field theory. The large-N expansion gives a temperature independent critical exponent β and agrees with the FRG result only at zero temperature.

Orbital selective directional conductor in the two-orbital Hubbard model

DOE PAGES

Mukherjee, Anamitra; Patel, Niravkumar D.; Moreo, Adriana; ...

2016-02-29

Recently, we employed a developed many-body technique that allows for the incorporation of thermal effects, the rich phase diagram of a two-dimensional two-orbital (degenerate d xz and d yz) Hubbard model is presented varying temperature and the repulsion U. The main result is the finding at intermediate U of an antiferromagnetic orbital selective state where an effective dimensional reduction renders one direction insulating and the other metallic. Possible realizations of this state are discussed. Additionally, we also study nematicity above the N eel temperature. After a careful finite-size scaling analysis, the nematicity temperature window appears to survive in the bulkmore » limit, although it is very narrow.« less

Energy Dissipation in Ex-Vivo Porcine Liver during Electrosurgery

PubMed Central

Karaki, Wafaa; Akyildiz, Ali; De, Suvranu

2017-01-01

This paper explores energy dissipation in ex-vivo liver tissue during radiofrequency current excitation with application in electrosurgery. Tissue surface temperature for monopolar electrode configuration is measured using infrared thermometry. The experimental results are fitted to a finite element model for transient heat transfer taking into account energy storage and conduction in order to extract information about “apparent” specific heat, which encompasses storage and phase change. The average apparent specific heat determined for low temperatures is in agreement with published data. However, at temperatures approaching the boiling point of water, apparent specific heat increases by a factor of five, indicating that vaporization plays an important role in the energy dissipation through latent heat loss. PMID:27479955

Experimental and Computational Investigation of High Entropy Alloys for Elevated-Temperature Applications

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

Liaw, Peter; Zhang, Fan; Zhang, Chuan

2016-07-30

To create and design novel structural materials with enhanced creep-resistance, fundamental studies have been conducted on high-entropy alloys (HEAs), using (1) thermodynamic calculations, (2) mechanical tests, (3) neutron diffraction, (4) characterization techniques, and (5) crystal-plasticity finite-element modeling (CPFEM), to explore future candidates for next-generation power plants. All the constituent binary and ternary systems of the Al-Cr-Cu-Fe-Mn-Ni and Al-Co-Cr-Fe-Ni systems were thermodynamically modeled within the whole composition range. Comparisons between the calculated phase diagrams and literature data are in good agreement. Seven types of HEAs were fabricated from Al-Cr-Cu-Fe-Mn-Ni and Al-Co-Cr-Fe-Ni systems. The Al xCrCuFeMnNi HEAs have disordered [face-centered cubic (FCC)more » + body-centered cubic (BCC)] crystal structures, not FCC or BCC single structure. Excessive alloying of the Al element results in the change of both microstructural and mechanical properties in Al xCoCrFeNi HEAs. There are mainly three structural features in Al xCoCrFeNi: (1) the morphology, (2) the volume fractions of the constitute phases, and (3) existing temperatures of all six phases. After homogenization, the Al 0.3CoCrFeNi material is a pure FCC solid solution. After aging at 700 °C for 500 hours, the optimal microstructure combinations, the FCC matrix, needle-like B2 phase within grains, and granular σ phase along grain boundary, is achieved for Al 0.3CoCrFeNi. The cold-rolling process is utilized to reduce the grain size of Al 0.1CoCrFeNi and Al 0.3CoCrFeNi. The chemical elemental partitioning of FCC, BCC, B2, and σphases at different temperatures, before and after mechanical tests, in Al-Cr-Cu-Fe-Mn-Ni and Al-Co-Cr-Fe-Ni systems are quantitatively characterized by both synchrotron X-ray diffraction, neutron diffraction with levitation, scanning electron microscopy (SEM), advanced atom probe tomography (APT), and transmission electron microscopy (TEM). In-situ neutron diffraction experiments were conducted to study the strengthening effect of B2 phase on tensile properties of Al 0.3CoCrFeNi HEAs directly. The results shows the creep behavior of Al 0.3CoCrFeNi is superior to conventional alloys, and the heat treatment introduces secondary B2 phase into the FCC matrix, which increase the yielding strength, decrease the ductility, diminish the serrated flow during compression tests at high temperatures. In summary, the outcomes of the development of the HEAs with creep resistance include: (1) Suitable candidates, for the application to boilers and steam and gas turbines at temperatures above 760 °C and a stress of 35 MPa. (2) Fundamental understanding on the precipitate stability and deformation mechanisms of both single-phase and precipitate-strengthened alloys at room and elevated temperatures, and (3) The demonstration of an integrated approach, coupling modeling [thermodynamic calculations and crystal-plasticity finite-element modeling (CPFEM)] and focused experiments, to identify HEAs that outperform conventional alloys for high-temperature applications, which will be applicable for the discovery and development of other high-temperature materials in the power-generating industry.« less

Irreversible opinion spreading on scale-free networks

NASA Astrophysics Data System (ADS)

Candia, Julián

2007-02-01

We study the dynamical and critical behavior of a model for irreversible opinion spreading on Barabási-Albert (BA) scale-free networks by performing extensive Monte Carlo simulations. The opinion spreading within an inhomogeneous society is investigated by means of the magnetic Eden model, a nonequilibrium kinetic model for the growth of binary mixtures in contact with a thermal bath. The deposition dynamics, which is studied as a function of the degree of the occupied sites, shows evidence for the leading role played by hubs in the growth process. Systems of finite size grow either ordered or disordered, depending on the temperature. By means of standard finite-size scaling procedures, the effective order-disorder phase transitions are found to persist in the thermodynamic limit. This critical behavior, however, is absent in related equilibrium spin systems such as the Ising model on BA scale-free networks, which in the thermodynamic limit only displays a ferromagnetic phase. The dependence of these results on the degree exponent is also discussed for the case of uncorrelated scale-free networks.

First-principles melting of gallium clusters down to nine atoms: structural and electronic contributions to melting.

PubMed

Steenbergen, Krista G; Gaston, Nicola

2013-10-07

First-principles Born-Oppenheimer molecular dynamics simulations of small gallium clusters, including parallel tempering, probe the distinction between cluster and molecule in the size range of 7-12 atoms. In contrast to the larger sizes, dynamic measures of structural change at finite temperature demonstrate that Ga7 and Ga8 do not melt, suggesting a size limit to melting in gallium exists at 9 atoms. Analysis of electronic structure further supports this size limit, additionally demonstrating that a covalent nature cannot be identified for clusters larger than the gallium dimer. Ga9, Ga10 and Ga11 melt at greater-than-bulk temperatures, with no evident covalent character. As Ga12 represents the first small gallium cluster to melt at a lower-than-bulk temperature, we examine the structural properties of each cluster at finite temperature in order to probe both the origins of greater-than-bulk melting, as well as the significant differences in melting temperatures induced by a single atom addition. Size-sensitive melting temperatures can be explained by both energetic and entropic differences between the solid and liquid phases for each cluster. We show that the lower-than-bulk melting temperature of the 12-atom cluster can be attributed to persistent pair bonding, reminiscent of the pairing observed in α-gallium. This result supports the attribution of greater-than-bulk melting in gallium clusters to the anomalously low melting temperature of the bulk, due to its dimeric structure.

Correlational and thermodynamic properties of finite-temperature electron liquids in the hypernetted-chain approximation.

PubMed

Tanaka, Shigenori

2016-12-07

Correlational and thermodynamic properties of homogeneous electron liquids at finite temperatures are theoretically analyzed in terms of dielectric response formalism with the hypernetted-chain (HNC) approximation and its modified version. The static structure factor and the local-field correction to describe the strong Coulomb-coupling effects beyond the random-phase approximation are self-consistently calculated through solution to integral equations in the paramagnetic (spin unpolarized) and ferromagnetic (spin polarized) states. In the ground state with the normalized temperature θ=0, the present HNC scheme well reproduces the exchange-correlation energies obtained by quantum Monte Carlo (QMC) simulations over the whole fluid phase (the coupling constant r s ≤100), i.e., within 1% and 2% deviations from putative best QMC values in the paramagnetic and ferromagnetic states, respectively. As compared with earlier studies based on the Singwi-Tosi-Land-Sjölander and modified convolution approximations, some improvements on the correlation energies and the correlation functions including the compressibility sum rule are found in the intermediate to strong coupling regimes. When applied to the electron fluids at intermediate Fermi degeneracies (θ≈1), the static structure factors calculated in the HNC scheme show good agreements with the results obtained by the path integral Monte Carlo (PIMC) simulation, while a small negative region in the radial distribution function is observed near the origin, which may be associated with a slight overestimation for the exchange-correlation hole in the HNC approximation. The interaction energies are calculated for various combinations of density and temperature parameters ranging from strong to weak degeneracy and from weak to strong coupling, and the HNC values are then parametrized as functions of r s and θ. The HNC exchange-correlation free energies obtained through the coupling-constant integration show reasonable agreements with earlier results including the PIMC-based fitting over the whole fluid region at finite degeneracies in the paramagnetic state. In contrast, a systematic difference between the HNC and PIMC results is observed in the ferromagnetic state, which suggests a necessity of further studies on the exchange-correlation free energies from both aspects of analytical theory and simulation.

Ferromagnetic Potts models with multisite interaction

NASA Astrophysics Data System (ADS)

Schreiber, Nir; Cohen, Reuven; Haber, Simi

2018-03-01

We study the q -state Potts model with four-site interaction on a square lattice. Based on the asymptotic behavior of lattice animals, it is argued that when q ≤4 the system exhibits a second-order phase transition and when q >4 the transition is first order. The q =4 model is borderline. We find 1 /lnq to be an upper bound on Tc, the exact critical temperature. Using a low-temperature expansion, we show that 1 /(θ lnq ) , where θ >1 is a q -dependent geometrical term, is an improved upper bound on Tc. In fact, our findings support Tc=1 /(θ lnq ) . This expression is used to estimate the finite correlation length in first-order transition systems. These results can be extended to other lattices. Our theoretical predictions are confirmed numerically by an extensive study of the four-site interaction model using the Wang-Landau entropic sampling method for q =3 ,4 ,5 . In particular, the q =4 model shows an ambiguous finite-size pseudocritical behavior.

Magnetic properties of Ruddlesden-Popper phases Sr3 -xYx(Fe1.25Ni0.75) O7 -δ : A combined experimental and theoretical investigation

NASA Astrophysics Data System (ADS)

Keshavarz, Samara; Kontos, Sofia; Wardecki, Dariusz; Kvashnin, Yaroslav O.; Pereiro, Manuel; Panda, Swarup K.; Sanyal, Biplab; Eriksson, Olle; Grins, Jekabs; Svensson, Gunnar; Gunnarsson, Klas; Svedlindh, Peter

2018-04-01

We present a comprehensive study of the magnetic properties of Sr3 -xYx(Fe1.25Ni0.75) O7 -δ (0 ≤x ≤0.75 ). Experimentally, the magnetic properties are investigated using superconducting quantum interference device (SQUID) magnetometry and neutron powder diffraction (NPD). This is complemented by a theoretical study based on density functional theory as well as the Heisenberg exchange parameters. Experimental results show an increase in the Néel temperature (TN) with an increase of Y concentrations and O occupancy. The NPD data reveal that all samples are antiferromagnetically ordered at low temperatures, which has been confirmed by our theoretical simulations for the selected samples. Our first-principles calculations suggest that the three-dimensional magnetic order is stabilized due to finite interlayer exchange couplings. The latter give rise to finite interlayer spin-spin correlations, which disappear above TN.

Time-reversal and rotation symmetry breaking superconductivity in Dirac materials

NASA Astrophysics Data System (ADS)

Chirolli, Luca; de Juan, Fernando; Guinea, Francisco

2017-05-01

We consider mixed symmetry superconducting phases in Dirac materials in the odd-parity channel, where pseudoscalar and vector order parameters can coexist due to their similar critical temperatures when attractive interactions are of a finite range. We show that the coupling of these order parameters to unordered magnetic dopants favors the condensation of time-reversal symmetry breaking (TRSB) phases, characterized by a condensate magnetization, rotation symmetry breaking, and simultaneous ordering of the dopant moments. We find a rich phase diagram of mixed TRSB phases characterized by peculiar bulk quasiparticles, with Weyl nodes and nodal lines, and distinctive surface states. These findings are consistent with recent experiments on NbxBi2Se3 that report evidence of point nodes, nematicity, and TRSB superconductivity induced by Nb magnetic moments.

Combined effects of Sr substitution and pressure on the ground states in CaFe 2 As 2

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

Knoner, S.; Gati, E.; Kohler, S.

2016-10-21

Here, we present a detailed study of the combined effects of Sr substitution and hydrostatic pressure on the ground-state properties of CaFe 2As 2. Measurements of the electrical resistance and magnetic susceptibility, both at ambient and finite pressure P ≤ 2 GPa, were performed on Ca 1–xSr xFe 2As 2 single crystals grown out of Sn flux. We find that by Sr substitution the transition temperature to the magnetic/structural phase is enhanced and therefore a higher pressure is needed to suppress the transition to lowest temperature. In addition, the transition to the collapsed tetragonal phase is found at a pressure,more » which is distinctly higher than in the pure compound. This implies that the stability ranges of both phases shift on the pressure-axis upon doping, but the latter one with a higher rate. These observations suggest the possibility of separating the two phase lines, which intersect already at elevated temperatures for x = 0 and low Sr concentration levels. For x = 0.177, we find strong evidence that both phases remain separated down to the lowest temperature and that a zero-resistance state emerges in this intermediate pressure window. This observation indicates that Sr substitution combined with hydrostatic pressure provides another route for stabilizing superconductivity in CaFe 2As 2. Lastly, our results are consistent with the notion that (i) preserving the fluctuations associated with the structural-magnetic transition to low temperatures is vital for superconductivity to form in this material and that (ii) the nonmagnetic collapsed tetragonal phase is detrimental for superconductivity.« less

Analytical study of the liquid phase transient behavior of a high temperature heat pipe. M.S. Thesis

NASA Technical Reports Server (NTRS)

Roche, Gregory Lawrence

1988-01-01

The transient operation of the liquid phase of a high temperature heat pipe is studied. The study was conducted in support of advanced heat pipe applications that require reliable transport of high temperature drops and significant distances under a broad spectrum of operating conditions. The heat pipe configuration studied consists of a sealed cylindrical enclosure containing a capillary wick structure and sodium working fluid. The wick is an annular flow channel configuration formed between the enclosure interior wall and a concentric cylindrical tube of fine pore screen. The study approach is analytical through the solution of the governing equations. The energy equation is solved over the pipe wall and liquid region using the finite difference Peaceman-Rachford alternating direction implicit numerical method. The continuity and momentum equations are solved over the liquid region by the integral method. The energy equation and liquid dynamics equation are tightly coupled due to the phase change process at the liquid-vapor interface. A kinetic theory model is used to define the phase change process in terms of the temperature jump between the liquid-vapor surface and the bulk vapor. Extensive auxiliary relations, including sodium properties as functions of temperature, are used to close the analytical system. The solution procedure is implemented in a FORTRAN algorithm with some optimization features to take advantage of the IBM System/370 Model 3090 vectorization facility. The code was intended for coupling to a vapor phase algorithm so that the entire heat pipe problem could be solved. As a test of code capabilities, the vapor phase was approximated in a simple manner.

Possible Many-Body Localization in a Long-Lived Finite-Temperature Ultracold Quasineutral Molecular Plasma

NASA Astrophysics Data System (ADS)

Sous, John; Grant, Edward

2018-03-01

We argue that the quenched ultracold plasma presents an experimental platform for studying the quantum many-body physics of disordered systems in the long-time and finite energy-density limits. We consider an experiment that quenches a plasma of nitric oxide to an ultracold system of Rydberg molecules, ions, and electrons that exhibits a long-lived state of arrested relaxation. The qualitative features of this state fail to conform with classical models. Here, we develop a microscopic quantum description for the arrested phase based on an effective many-body spin Hamiltonian that includes both dipole-dipole and van der Waals interactions. This effective model appears to offer a way to envision the essential quantum disordered nonequilibrium physics of this system.

Finite-Size Effects on the Behavior of the Susceptibility in van der Waals Films Bounded by Strongly Absorbing Substrates

NASA Technical Reports Server (NTRS)

Dantchev, Daniel; Rudnick, Joseph; Barmatz, M.

2007-01-01

We study critical point finite-size effects in the case of the susceptibility of a film in which interactions are characterized by a van der Waals-type power law tail. The geometry is appropriate to a slab-like system with two bounding surfaces. Boundary conditions are consistent with surfaces that both prefer the same phase in the low temperature, or broken symmetry, state. We take into account both interactions within the system and interactions between the constituents of the system and the material surrounding it. Specific predictions are made with respect to the behavior of 3He and 4He films in the vicinity of their respective liquid-vapor critical points.

A Hundred-Year-Old Experiment Re-evaluated: Accurate Ab-Initio Monte-Carlo Simulations of the Melting of Radon.

PubMed

Schwerdtfeger, Peter; Smits, Odile; Pahl, Elke; Jerabek, Paul

2018-06-12

State-of-the-art relativistic coupled-cluster theory is used to construct many-body potentials for the rare gas element radon in order to determine its bulk properties including the solid-to-liquid phase transition from parallel tempering Monte Carlo simulations through either direct sampling of the bulk or from a finite cluster approach. The calculated melting temperature are 201(3) K and 201(6) K from bulk simulations and from extrapolation of finite cluster values, respectively. This is in excellent agreement with the often debated (but widely cited) and only available value of 202 K, dating back to measurements by Gray and Ramsay in 1909. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Comparison of Austenite Decomposition Models During Finite Element Simulation of Water Quenching and Air Cooling of AISI 4140 Steel

NASA Astrophysics Data System (ADS)

Babu, K.; Prasanna Kumar, T. S.

2014-08-01

An indigenous, non-linear, and coupled finite element (FE) program has been developed to predict the temperature field and phase evolution during heat treatment of steels. The diffusional transformations during continuous cooling of steels were modeled using Johnson-Mehl-Avrami-Komogorov equation, and the non-diffusion transformation was modeled using Koistinen-Marburger equation. Cylindrical quench probes made of AISI 4140 steel of 20-mm diameter and 50-mm long were heated to 1123 K (850 °C), quenched in water, and cooled in air. The temperature history during continuous cooling was recorded at the selected interior locations of the quench probes. The probes were then sectioned at the mid plane and resultant microstructures were observed. The process of water quenching and air cooling of AISI 4140 steel probes was simulated with the heat flux boundary condition in the FE program. The heat flux for air cooling process was calculated through the inverse heat conduction method using the cooling curve measured during air cooling of a stainless steel 304L probe as an input. The heat flux for the water quenching process was calculated from a surface heat flux model proposed for quenching simulations. The isothermal transformation start and finish times of different phases were taken from the published TTT data and were also calculated using Kirkaldy model and Li model and used in the FE program. The simulated cooling curves and phases using the published TTT data had a good agreement with the experimentally measured values. The computation results revealed that the use of published TTT data was more reliable in predicting the phase transformation during heat treatment of low alloy steels than the use of the Kirkaldy or Li model.

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

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

Žvátora, Pavel; Veverka, Miroslav; Veverka, Pavel

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 themore » 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.« less

Generalization of soft phonon modes

NASA Astrophysics Data System (ADS)

Rudin, Sven P.

2018-04-01

Soft phonon modes describe a collective movement of atoms that transform a higher-symmetry crystal structure into a lower-symmetry crystal structure. Such structural transformations occur at finite temperatures, where the phonons (i.e., the low-temperature vibrational modes) and the static perfect crystal structures provide an incomplete picture of the dynamics. Here, principal vibrational modes (PVMs) are introduced as descriptors of the dynamics of a material system with N atoms. The PVMs represent the independent collective movements of the atoms at a given temperature. Molecular dynamics (MD) simulations, here in the form of quantum MD using density functional theory calculations, provide both the data describing the atomic motion and the data used to construct the PVMs. The leading mode, PVM0, represents the 3 N -dimensional direction in which the system moves with greatest amplitude. For structural phase transitions, PVM0 serves as a generalization of soft phonon modes. At low temperatures, PVM0 reproduces the soft phonon mode in systems where one phonon dominates the phase transformation. In general, multiple phonon modes combine to describe a transformation, in which case PVM0 culls these phonon modes. Moreover, while soft phonon modes arise in the higher-symmetry crystal structure, PVM0 can be equally well calculated on either side of the structural phase transition. Two applications demonstrate these properties: first, transitions into and out of bcc titanium, and, second, the two crystal structures proposed for the β phase of uranium, the higher-symmetry structure of which stabilizes with temperature.

Polarized Fermi Condensates with Unequal Masses: Tuning the Tricritical Point

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

Parish, M. M.; Marchetti, F. M.; Simons, B. D.

We consider a two-component atomic Fermi gas within a mean-field, single-channel model, where both the mass and population of each component are unequal. We show that the tricritical point at zero temperature evolves smoothly from the BEC to BCS side of the resonance as a function of mass ratio r. We find that the interior gap state proposed by Liu and Wilczek is always unstable to phase separation, while the breached pair state with one Fermi surface for the excess fermions exhibits differences in its density of states and pair correlation functions depending on which side of the resonance itmore » lies. Finally, we show that, when r > or appro. 3.95, the finite-temperature phase diagram of trapped gases at unitarity becomes topologically distinct from the equal mass system.« less

Nucleon properties in the Polyakov quark-meson model

NASA Astrophysics Data System (ADS)

Li, Yingying; Hu, Jinniu; Mao, Hong

2018-05-01

We study the nucleon as a nontopological soliton in a quark medium as well as in a nucleon medium in terms of the Polyakov quark-meson (PQM) model with two flavors at finite temperature and density. The constituent quark masses evolving with the temperature at various baryon chemical potentials are calculated and the equations of motion are solved according to the proper boundary conditions. The PQM model predicts an increasing size of the nucleon and a reduction of the nucleon mass in both hot environment. However, the phase structure is different from each other in quark and nucleon mediums. There is a crossover in the low-density region and a first-order phase transition in the high-density region in quark medium, whereas there exists a crossover characterized by the overlap of the nucleons in nucleon medium.

Duality of two pairs of double-walled nanotubes consisting of S=1 and S=3/2 spins probed by means of a quantum simulation approach

NASA Astrophysics Data System (ADS)

Liu, Zhaosen; Ian, Hou

2017-01-01

Using a quantum simulation approach, we investigate in the present work the spontaneous magnetic properties of two pairs of double-walled cylindrical nanotubes consisting of different spins. Our simulated magnetic and thermodynamic properties for each pair of them are precisely identical, exhibiting a fascinating property of the nature world and demonstrating the correctness of our simulation approach. The second pair of nanotubes are frustrated, two magnetic phases of distinct spin configurations appear in the low temperature region, but only the inner layer consisting of small spins is frustrated evidently, its magnetization is considerably suppressed in the high temperature phase. Moreover, the nanosystems exhibit typical Ising-like behavior due to the uniaxial anisotropy along the z-direction, and evident finite-size effects as well.

Quantum metallicity on the high-field side of the superconductor-insulator transition.

PubMed

Baturina, T I; Strunk, C; Baklanov, M R; Satta, A

2007-03-23

We investigate ultrathin superconducting TiN films, which are very close to the localization threshold. Perpendicular magnetic field drives the films from the superconducting to an insulating state, with very high resistance. Further increase of the magnetic field leads to an exponential decay of the resistance towards a finite value. In the limit of low temperatures, the saturation value can be very accurately extrapolated to the universal quantum resistance h/e2. Our analysis suggests that at high magnetic fields a new ground state, distinct from the normal metallic state occurring above the superconducting transition temperature, is formed. A comparison with other studies on different materials indicates that the quantum metallic phase following the magnetic-field-induced insulating phase is a generic property of systems close to the disorder-driven superconductor-insulator transition.

Optimization of the sources in local hyperthermia using a combined finite element-genetic algorithm method.

PubMed

Siauve, N; Nicolas, L; Vollaire, C; Marchal, C

2004-12-01

This article describes an optimization process specially designed for local and regional hyperthermia in order to achieve the desired specific absorption rate in the patient. It is based on a genetic algorithm coupled to a finite element formulation. The optimization method is applied to real human organs meshes assembled from computerized tomography scans. A 3D finite element formulation is used to calculate the electromagnetic field in the patient, achieved by radiofrequency or microwave sources. Space discretization is performed using incomplete first order edge elements. The sparse complex symmetric matrix equation is solved using a conjugate gradient solver with potential projection pre-conditionning. The formulation is validated by comparison of calculated specific absorption rate distributions in a phantom to temperature measurements. A genetic algorithm is used to optimize the specific absorption rate distribution to predict the phases and amplitudes of the sources leading to the best focalization. The objective function is defined as the specific absorption rate ratio in the tumour and healthy tissues. Several constraints, regarding the specific absorption rate in tumour and the total power in the patient, may be prescribed. Results obtained with two types of applicators (waveguides and annular phased array) are presented and show the faculties of the developed optimization process.

Relative Influence of Intrinsic and Extrinsic Factors on the Metal-Insulator Transition of VO2 Nanowires

NASA Astrophysics Data System (ADS)

Kim, In Soo

The influence of stoichiometry on the metal-insulator transition of vanadium dioxide (VO2) nanowires was investigated using Raman spectroscopy. Controlled reduction of nominally strain-free suspended VO2 nanowires was conducted by rapid thermal annealing (RTA). The deficiency in oxygen assisted in the unprecedented suppression of the metallic (R) phase to temperatures as low as 103 K through generation of free electrons. In a complementary manner, oxygen-rich conditions stabilized the metastable monoclinic (M2) and triclinic (T) phases. A pseudo-phase diagram with dimensions of temperature and stoichiometry was established, highlighting the accessibility of new phases in the nanowire geometry. Detection of the dynamic elastic response across the metal-insulator transition in suspended VO2 nanowires was enabled by fiber-coupled polarization dependent interferometry. Dual-beam Raman spectroscopy was developed to determine the local domain/phase structure of VO2 nanowires, which allowed for accurate modeling using COMSOL finite element analysis (FEA). The Young's moduli of the single crystal insulating (M1) and metallic (R) phases without artifacts were determined for the first time. The sources of dissipation were identified as clamping losses, structural losses, thermoelastic damping, and domain wall motion. While contribution of thermoelastic damping was found to be dominant in the terminal phases, extraordinary dissipation was observed upon formation and movement of domain walls. Finally, it was shown that creation of local defects could lead to new classes of tunable sensors with a discrete and programmable frequency response with temperature.

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.

First-principles study of intermetallic phase stability in the ternary Ti-Al-Nb alloy system

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

Asta, M.; Ormeci, A.; Wills, J.M.

The stability of bcc-based phases in the Ti-Al-Nb alloy system has been studied from first-principles using a combination of ab-initio total energy and cluster variation method (CVM) calculations. Total energies have been computed for 18 binary and ternary bcc superstructures in order to determine low temperature ordering tendencies. From the results of these calculations a set of effective cluster interaction parameters have been derived. These interaction parameters are required input for CVM computations of alloy thermodynamic properties. The CVM has been used to study the effect of composition on finite-temperature ordering tendencies and site preferences for bcc-based phases. Strong orderingmore » tendencies are observed for binary Nb-Al and Ti-Al bcc phases as well as for ternary alloys with compositions near Ti{sub 2}AlNb. For selected superstructures we have also analyzed structural stabilities with respect to tetragonal distortions which transform the bcc into an fcc lattice. Instabilities with respect to such distortions are found to exist for binary but not ternary bcc compounds.« less

Magnetization processes and existence of reentrant phase transitions in coupled spin-electron model on doubly decorated planar lattices

NASA Astrophysics Data System (ADS)

Čenčariková, Hana; Strečka, Jozef; Gendiar, Andrej

2018-04-01

An alternative model for a description of magnetization processes in coupled 2D spin-electron systems has been introduced and rigorously examined using the generalized decoration-iteration transformation and the corner transfer matrix renormalization group method. The model consists of localized Ising spins placed on nodal lattice sites and mobile electrons delocalized over the pairs of decorating sites. It takes into account a hopping term for mobile electrons, the Ising coupling between mobile electrons and localized spins as well as the Zeeman term acting on both types of particles. The ground-state and finite-temperature phase diagrams were established and comprehensively analyzed. It was found that the ground-state phase diagrams are very rich depending on the electron hopping and applied magnetic field. The diversity of magnetization curves can be related to intermediate magnetization plateaus, which may be continuously tuned through the density of mobile electrons. In addition, the existence of several types of reentrant phase transitions driven either by temperature or magnetic field was proven.

Lee-Yang zero analysis for the study of QCD phase structure

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

Ejiri, Shinji

2006-03-01

We comment on the Lee-Yang zero analysis for the study of the phase structure of QCD at high temperature and baryon number density by Monte-Carlo simulations. We find that the sign problem for nonzero density QCD induces a serious problem in the finite volume scaling analysis of the Lee-Yang zeros for the investigation of the order of the phase transition. If the sign problem occurs at large volume, the Lee-Yang zeros will always approach the real axis of the complex parameter plane in the thermodynamic limit. This implies that a scaling behavior which would suggest a crossover transition will notmore » be obtained. To clarify this problem, we discuss the Lee-Yang zero analysis for SU(3) pure gauge theory as a simple example without the sign problem, and then consider the case of nonzero density QCD. It is suggested that the distribution of the Lee-Yang zeros in the complex parameter space obtained by each simulation could be more important information for the investigation of the critical endpoint in the (T,{mu}{sub q}) plane than the finite volume scaling behavior.« less

Two-dimensional Anderson-Hubbard model in the DMFT + {Sigma} approximation

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

Kuchinskii, E. Z., E-mail: kuchinsk@iep.uran.ru; Kuleeva, N. A.; Nekrasov, I. A.

The density of states, the dynamic (optical) conductivity, and the phase diagram of the paramagnetic two-dimensional Anderson-Hubbard model with strong correlations and disorder are analyzed within the generalized dynamical mean field theory (DMFT + {Sigma} approximation). Strong correlations are accounted by the DMFT, while disorder is taken into account via the appropriate generalization of the self-consistent theory of localization. We consider the two-dimensional system with the rectangular 'bare' density of states (DOS). The DMFT effective single-impurity problem is solved by numerical renormalization group (NRG). The 'correlated metal,' Mott insulator, and correlated Anderson insulator phases are identified from the evolution ofmore » the density of states, optical conductivity, and localization length, demonstrating both Mott-Hubbard and Anderson metal-insulator transitions in two-dimensional systems of finite size, allowing us to construct the complete zero-temperature phase diagram of the paramagnetic Anderson-Hubbard model. The localization length in our approximation is practically independent of the strength of Hubbard correlations. But the divergence of the localization length in a finite-size two-dimensional system at small disorder signifies the existence of an effective Anderson transition.« less

A new phase of disordered phonons modelled by random matrices

NASA Astrophysics Data System (ADS)

Schmittner, Sebastian; Zirnbauer, Martin

2015-03-01

Starting from the clean harmonic crystal and not invoking two-level systems, we propose a model for phonons in a disordered solid. In this model the strength of mass and spring constant disorder can be increased separately. Both types of disorder are modelled by random matrices that couple the degrees of freedom locally. Treated in coherent potential approximation (CPA), the speed of sound decreases with increasing disorder until it reaches zero at finite disorder strength. There, a critical transition to a strong disorder phase occurs. In this novel phase, we find the density of states at zero energy in three dimensions to be finite, leading to a linear temperature dependence of the heat capacity, as observed experimentally for vitreous systems. For any disorder strength, our model is stable, i.e. masses and spring constants are positive, and there are no runaway dynamics. This is ensured by using appropriate probability distributions, inspired by Wishart ensembles, for the random matrices. The CPA self-consistency equations are derived in a very accessible way using planar diagrams. The talk focuses on the model and the results. The first author acknowledges financial support by the Deutsche Telekom Stiftung.

Nonlinear mesomechanics of composites with periodic microstructure

NASA Technical Reports Server (NTRS)

Walker, Kevin P.; Jordan, Eric H.; Freed, Alan D.

1989-01-01

This work is concerned with modeling the mechanical deformation or constitutive behavior of composites comprised of a periodic microstructure under small displacement conditions at elevated temperature. A mesomechanics approach is adopted which relates the microimechanical behavior of the heterogeneous composite with its in-service macroscopic behavior. Two different methods, one based on a Fourier series approach and the other on a Green's function approach, are used in modeling the micromechanical behavior of the composite material. Although the constitutive formulations are based on a micromechanical approach, it should be stressed that the resulting equations are volume averaged to produce overall effective constitutive relations which relate the bulk, volume averaged, stress increment to the bulk, volume averaged, strain increment. As such, they are macromodels which can be used directly in nonlinear finite element programs such as MARC, ANSYS and ABAQUS or in boundary element programs such as BEST3D. In developing the volume averaged or efective macromodels from the micromechanical models, both approaches will require the evaluation of volume integrals containing the spatially varying strain distributions throughout the composite material. By assuming that the strain distributions are spatially constant within each constituent phase-or within a given subvolume within each constituent phase-of the composite material, the volume integrals can be obtained in closed form. This simplified micromodel can then be volume averaged to obtain an effective macromodel suitable for use in the MARC, ANSYS and ABAQUS nonlinear finite element programs via user constitutive subroutines such as HYPELA and CMUSER. This effective macromodel can be used in a nonlinear finite element structural analysis to obtain the strain-temperature history at those points in the structure where thermomechanical cracking and damage are expected to occur, the so called damage critical points of the structure.

A remark on the theory of measuring thermal diffusivity by the modified Angstrom's method. [in lunar samples

NASA Technical Reports Server (NTRS)

Horai, K.-I.

1981-01-01

A theory of the measurement of the thermal diffusivity of a sample by the modified Angstrom method is developed for the case in which radiative heat loss from the end surface of the sample is not negligible, and applied to measurements performed on lunar samples. Formulas allowing sample thermal diffusivity to be determined from the amplitude decay and phase lag of a temperature wave traveling through the sample are derived for a flat disk sample for which only heat loss from the end surface is important, and a sample of finite diameter and length for which heat loss through the end and side surfaces must be considered. It is noted that in the case of a flat disk, measurements at a single angular frequency of the temperature wave are sufficient, while the sample of finite diameter and length requires measurements at two discrete angular frequencies. Comparison of the values of the thermal diffusivities of two lunar samples of dimensions approximately 1 x 1 x 2 cm derived by the present methods and by the Angstrom theory for a finite bar reveals them to differ by not more than 5%, and indicates that more refined data are required as the measurement theory becomes more complicated.

Improved finite element methodology for integrated thermal structural analysis

NASA Technical Reports Server (NTRS)

Dechaumphai, P.; Thornton, E. A.

1982-01-01

An integrated thermal-structural finite element approach for efficient coupling of thermal and structural analysis is presented. New thermal finite elements which yield exact nodal and element temperatures for one dimensional linear steady state heat transfer problems are developed. A nodeless variable formulation is used to establish improved thermal finite elements for one dimensional nonlinear transient and two dimensional linear transient heat transfer problems. The thermal finite elements provide detailed temperature distributions without using additional element nodes and permit a common discretization with lower order congruent structural finite elements. The accuracy of the integrated approach is evaluated by comparisons with analytical solutions and conventional finite element thermal structural analyses for a number of academic and more realistic problems. Results indicate that the approach provides a significant improvement in the accuracy and efficiency of thermal stress analysis for structures with complex temperature distributions.

Gluon dynamics, center symmetry, and the deconfinement phase transition in SU(3) pure Yang-Mills theory

NASA Astrophysics Data System (ADS)

Silva, P. J.; Oliveira, O.

2016-06-01

The correlations between the modulus of the Polyakov loop, its phase θ , and the Landau gauge gluon propagator at finite temperature are investigated in connection with the center symmetry for pure Yang-Mills SU(3) theory. In the deconfined phase, where the center symmetry is spontaneously broken, the phase of the Polyakov loop per configuration is close to θ =0 , ±2 π /3 . We find that the gluon propagator form factors associated with θ ≈0 differ quantitatively and qualitatively from those associated to θ ≈±2 π /3 . This difference between the form factors is a property of the deconfined phase and a sign of the spontaneous breaking of the center symmetry. Furthermore, given that this difference vanishes in the confined phase, it can be used as an order parameter associated to the deconfinement transition. For simulations near the critical temperature Tc, the difference between the propagators associated to θ ≈0 and θ ≈±2 π /3 allows one to classify the configurations as belonging to the confined or deconfined phase. This establishes a selection procedure which has a measurable impact on the gluon form factors. Our results also show that the absence of the selection procedure can be erroneously interpreted as lattice artifacts.

Prediction of Microstructure in HAZ of Welds

NASA Astrophysics Data System (ADS)

Khurana, S. P.; Yancey, R.; Jung, G.

2004-06-01

A modeling technique for predicting microstructure in the heat-affected zone (HAZ) of the hypoeutectoid steels is presented. This technique aims at predicting the phase fractions of ferrite, pearlite, bainite and martensite present in the HAZ after the cool down of a weld. The austenite formation kinetics and austenite decomposition kinetics are calculated using the transient temperature profile. The thermal profile in the weld and the HAZ is calculated by finite-element analysis (FEA). Two kinds of austenite decomposition models are included. The final phase fractions are predicted with the help of a continuous cooling transformation (CCT) diagram of the material. In the calculation of phase fractions either the experimental CCT diagram or the mathematically calculated CCT diagram can be used.

Electronic part of the optical correlation function at finite temperature: the S-matrix expansion

NASA Astrophysics Data System (ADS)

Tavares, M.; Marques, G. E.; Tejedor, C.

1998-12-01

We present an extension to finite temperature of the Mahan-Nozières-De Dominicis framework to obtain the electronic part of the current-current correlation function. Its Fourier transform gives the absorption and emission spectra of doped low-dimensional semiconductors. We show the meaning of the new finite-temperature contributions characterizing the electronic part.

NiMnGa/Si Shape Memory Bimorph Nanoactuation

NASA Astrophysics Data System (ADS)

Lambrecht, Franziska; Lay, Christian; Aseguinolaza, Iván R.; Chernenko, Volodymyr; Kohl, Manfred

2016-12-01

The size dependences of thermal bimorph and shape memory effect of nanoscale shape memory alloy (SMA)/Si bimorph actuators are investigated in situ in a scanning electron microscope and by finite element simulations. By combining silicon nanomachining and magnetron sputtering, freestanding NiMnGa/Si bimorph cantilever structures with film/substrate thickness of 200/250 nm and decreasing lateral dimensions are fabricated. Electrical resistance and mechanical beam bending tests upon direct Joule heating demonstrate martensitic phase transformation and reversible thermal bimorph effect, respectively. Corresponding characteristics are strongly affected by the large temperature gradient in the order of 50 K/µm forming along the nano bimorph cantilever upon electro-thermal actuation, which, in addition, depends on the size-dependent heat conductivity in the Si nano layer. Furthermore, the martensitic transformation temperatures show a size-dependent decrease by about 40 K for decreasing lateral dimensions down to 200 nm. The effects of heating temperature and stress distribution on the nanoactuation performance are analyzed by finite element simulations revealing thickness ratio of SMA/Si of 90/250 nm to achieve an optimum SME. Differential thermal expansion and thermo-elastic effects are discriminated by comparative measurements and simulations on Ni/Si bimorph reference actuators.

Analysis of Transformation Plasticity in Steel Using a Finite Element Method Coupled with a Phase Field Model

PubMed Central

Cho, Yi-Gil; Kim, Jin-You; Cho, Hoon-Hwe; Cha, Pil-Ryung; Suh, Dong-Woo; Lee, Jae Kon; Han, Heung Nam

2012-01-01

An implicit finite element model was developed to analyze the deformation behavior of low carbon steel during phase transformation. The finite element model was coupled hierarchically with a phase field model that could simulate the kinetics and micro-structural evolution during the austenite-to-ferrite transformation of low carbon steel. Thermo-elastic-plastic constitutive equations for each phase were adopted to confirm the transformation plasticity due to the weaker phase yielding that was proposed by Greenwood and Johnson. From the simulations under various possible plastic properties of each phase, a more quantitative understanding of the origin of transformation plasticity was attempted by a comparison with the experimental observation. PMID:22558295

Gradient corrections to the exchange-correlation free energy

DOE PAGES

Sjostrom, Travis; Daligault, Jerome

2014-10-07

We develop the first-order gradient correction to the exchange-correlation free energy of the homogeneous electron gas for use in finite-temperature density functional calculations. Based on this, we propose and implement a simple temperature-dependent extension for functionals beyond the local density approximation. These finite-temperature functionals show improvement over zero-temperature functionals, as compared to path-integral Monte Carlo calculations for deuterium equations of state, and perform without computational cost increase compared to zero-temperature functionals and so should be used for finite-temperature calculations. Furthermore, while the present functionals are valid at all temperatures including zero, non-negligible difference with zero-temperature functionals begins at temperatures abovemore » 10 000 K.« less

Density-functional theory computer simulations of CZTS{sub 0.25}Se{sub 0.75} alloy phase diagrams

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

Chagarov, E.; Sardashti, K.; Kummel, A. C.

2016-08-14

Density-functional theory simulations of CZTS, CZTSe, and CZTS{sub 0.25}Se{sub 0.75} photovoltaic compounds have been performed to investigate the stability of the CZTS{sub 0.25}Se{sub 0.75} alloy vs. decomposition into CZTS, CZTSe, and other secondary compounds. The Gibbs energy for vibrational contributions was estimated by calculating phonon spectra and thermodynamic properties at finite temperatures. It was demonstrated that the CZTS{sub 0.25}Se{sub 0.75} alloy is stabilized not by enthalpy of formation but primarily by the mixing contributions to the Gibbs energy. The Gibbs energy gains/losses for several decomposition reactions were calculated as a function of temperature with/without intermixing and vibration contributions to themore » Gibbs energy. A set of phase diagrams was built in the multidimensional space of chemical potentials at 300 K and 900 K temperatures to demonstrate alloy stability and boundary compounds at various chemical conditions. It demonstrated for CZTS{sub 0.25}Se{sub 0.75} that the chemical potentials for stability differ between typical processing temperature (∼900 K) and operating temperature (300 K). This implies that as cooling progresses, the flux/concentration of S should be increased in MBE growth to maintain the CZTS{sub 0.25}Se{sub 0.75} in a thermodynamically stable state to minimize phase decomposition.« less

Forging property, processing map, and mesoscale microstructural evolution modeling of a Ti-17 alloy with a lamellar (α+β) starting microstructure

NASA Astrophysics Data System (ADS)

Matsumoto, Hiroaki; Naito, Daiki; Miyoshi, Kento; Yamanaka, Kenta; Chiba, Akihiko; Yamabe-Mitarai, Yoko

2017-12-01

This work identifies microstructural conversion mechanisms during hot deformation (at temperatures ranging from 750 °C to 1050 °C and strain rates ranging from 10-3 s-1 to 1 s-1) of a Ti-5Al-2Sn-2Zr-4Mo-4Cr (Ti-17) alloy with a lamellar starting microstructure and establishes constitutive formulae for predicting the microstructural evolution using finite-element analysis. In the α phase, lamellae kinking is the dominant mode in the higher strain rate region and dynamic globularization frequently occurs at higher temperatures. In the β phase, continuous dynamic recrystallization is the dominant mode below the transition temperature, Tβ (880 890 °C). Dynamic recovery tends to be more active at conditions of lower strain rates and higher temperatures. At temperatures above Tβ, continuous dynamic recrystallization of the β phase frequently occurs, especially in the lower strain rate region. A set of constitutive equations modeling the microstructural evolution and processing map characteristic are established by optimizing the experimental data and were later implemented in the DEFORM-3D software package. There is a satisfactory agreement between the experimental and simulated results, indicating that the established series of constitutive models can be used to reliably predict the properties of a Ti-17 alloy after forging in the (α+β) region.

Forging property, processing map, and mesoscale microstructural evolution modeling of a Ti-17 alloy with a lamellar (α+β) starting microstructure

PubMed Central

Matsumoto, Hiroaki; Naito, Daiki; Miyoshi, Kento; Yamanaka, Kenta; Chiba, Akihiko; Yamabe-Mitarai, Yoko

2017-01-01

Abstract This work identifies microstructural conversion mechanisms during hot deformation (at temperatures ranging from 750 °C to 1050 °C and strain rates ranging from 10−3 s−1 to 1 s−1) of a Ti-5Al-2Sn-2Zr-4Mo-4Cr (Ti-17) alloy with a lamellar starting microstructure and establishes constitutive formulae for predicting the microstructural evolution using finite-element analysis. In the α phase, lamellae kinking is the dominant mode in the higher strain rate region and dynamic globularization frequently occurs at higher temperatures. In the β phase, continuous dynamic recrystallization is the dominant mode below the transition temperature, T β (880~890 °C). Dynamic recovery tends to be more active at conditions of lower strain rates and higher temperatures. At temperatures above T β, continuous dynamic recrystallization of the β phase frequently occurs, especially in the lower strain rate region. A set of constitutive equations modeling the microstructural evolution and processing map characteristic are established by optimizing the experimental data and were later implemented in the DEFORM-3D software package. There is a satisfactory agreement between the experimental and simulated results, indicating that the established series of constitutive models can be used to reliably predict the properties of a Ti-17 alloy after forging in the (α+β) region. PMID:29152021

Forging property, processing map, and mesoscale microstructural evolution modeling of a Ti-17 alloy with a lamellar (α+β) starting microstructure.

PubMed

Matsumoto, Hiroaki; Naito, Daiki; Miyoshi, Kento; Yamanaka, Kenta; Chiba, Akihiko; Yamabe-Mitarai, Yoko

2017-01-01

This work identifies microstructural conversion mechanisms during hot deformation (at temperatures ranging from 750 °C to 1050 °C and strain rates ranging from 10 -3  s -1 to 1 s -1 ) of a Ti-5Al-2Sn-2Zr-4Mo-4Cr (Ti-17) alloy with a lamellar starting microstructure and establishes constitutive formulae for predicting the microstructural evolution using finite-element analysis. In the α phase, lamellae kinking is the dominant mode in the higher strain rate region and dynamic globularization frequently occurs at higher temperatures. In the β phase, continuous dynamic recrystallization is the dominant mode below the transition temperature, T β (880~890 °C). Dynamic recovery tends to be more active at conditions of lower strain rates and higher temperatures. At temperatures above T β , continuous dynamic recrystallization of the β phase frequently occurs, especially in the lower strain rate region. A set of constitutive equations modeling the microstructural evolution and processing map characteristic are established by optimizing the experimental data and were later implemented in the DEFORM-3D software package. There is a satisfactory agreement between the experimental and simulated results, indicating that the established series of constitutive models can be used to reliably predict the properties of a Ti-17 alloy after forging in the (α+ β ) region.

Multilayer adsorption of C2H4 and CF4 on graphite: Grand Canonical Monte Carlo simulation

NASA Astrophysics Data System (ADS)

Abdelatif, H.; Drir, M.

2016-11-01

We study the phase transitions in adsorbed multilayers by Grand Canonical Monte Carlo simulations (GCMC) of the lattice-gas model. The focus will be on ethylene (C2H4) and tetrafluoromethane (CF4) on a homogeneous graphite surface. Earlier simulations of these systems investigated structural properties, dynamical behaviors of adsorbed films and thermodynamic quantities such as isosteric heat. The main purpose of this study is to consider the adsorbed multilayers by the evaluation of the layering behavior, the wetting phenomena and the critical temperatures. The isotherms obtained for temperature from 50 K to 170 K reproduce a number of interesting features observed experimentally: (i) we observe an important number of layers in contrast with previous simulations, (ii) a finite number of layers at saturated pressure for low temperatures are found, (iii) the isotherms present vertical steps typical of layer-by-layer growth, at higher temperatures these distinct layers tend to disappear signifying that the film thickness increases continuously, (iv) a thin film to thick film transition near the triple point temperature is noticed. In addition to this qualitative description, quantitative information are determined including temperatures and relative pressures of layers formation, layer-critical-point temperatures and phase diagrams. Comparing the two systems, ethylene/graphite and tetrafluoromethane/graphite, we observe a qualitatively similar behavior.

Deconfinement and the Hagedorn transition in string theory.

PubMed

Chaudhuri, S

2001-03-05

We introduce a new definition of the thermal partition function in string theory. With this new definition, the thermal partition functions of all of the string theories obey thermal duality relations with self-dual Hagedorn temperature beta(2)(H) = 4pi(2)alpha('). A beta-->beta(2)(H)/beta transformation maps the type I theory into a new string theory (type I) with thermal D p-branes, spatial hypersurfaces supporting a p-dimensional finite temperature non-Abelian Higgs-gauge theory for p< or =9. We demonstrate a continuous phase transition in the behavior of the static heavy quark-antiquark potential for small separations r(2)(*)

Thermal Pairing in Nuclei

NASA Astrophysics Data System (ADS)

Dang, Nguyen Dinh

2008-04-01

The modified Hartree-Fock-Bogoliubov (MHFB) theory at finite temperature is derived for finite nuclei.1 In the limit of constant pairing parameter, the MHFB theory yields the modified BCS (MBCS) theory.2 These are the microscopic theories that can describe the crossover region at temperature T around the critical value Tc of the BCS superfluid-normal (SN) phase transition. By requiring the unitarity conservation of the particle-density matrix, the derivation of these theories is achieved by constructing a modified quasiparticle density matrix, where the fluctuation of the quasiparticle number is microscopically built in. This matrix can be directly obtained from the usual quasiparticle-density matrix by applying the secondary Bogoliubov transformation, which includes the quasiparticle occupation number. The calculations of the thermal pairing gap, total energy, heat capacity, quasiparticle and pairing correlation functions were carried out within MBCS theory for the Richardson model3 as well as realistic single-particle spectra. The Richardson model under consideration has varying Ω equidistant levels and N particles with a level distant equal to 1 MeV. It is shown that the limitation of the configuration space sets a limiting temperature TM up to which the MBCS theory can be applied. Enlarging the space in the half-filled case (Ω = N) by one valence level (Ω = N + 1) extends TM to a much higher temperature so that the predictions by the MBCS theory can be compared directly with the exact results up to T ~ 4 - 5 MeV even for small N. The MBCS gap does not collapse, but decreases monotonously with increasing T. The total energy and heat capacity predicted by the MBCS theory are closer to the exact results than those predicted by the BCS theory, especially in the region of the SN phase transition predicted within the BCS theory. The discontinuity in the BCS heat capacity at the critical temperature Tc is smoothed out within the MBCS theory, especially for small N, showing the disappearance of SN phase transition in very light systems. With increasing N the peak at Tc in the heat capacity becomes more pronounced, showing a phase-transition-like behavior in heavy systems. The effect of approximated particle-number projection using the Lipkin-Nogami method is also discussed. An application of the MBCS theory to the description of the damping of giant dipole resonances (GDR) in hot nuclei shows that, because of the existence of the pseudo gap, the GDR width remains nearly constant at temperatures up to around 1 MeV in tin isotopes in good agreement with the recent experimental systematic.4

Simulations and Experiments of the Nonisothermal Forging Process of a Ti-6Al-4V Impeller

NASA Astrophysics Data System (ADS)

Prabhu, T. Ram

2016-09-01

In the present study, a nonisothermal precision forging process of a Ti-6Al-4V first-stage impeller for the gas turbine engine was simulated using the finite element software. The simulation results such as load requirements, damage, velocity field, stress, strain, and temperature distributions are discussed in detail. Simulations predicted the maximum load requirement of about 80 MN. The maximum temperature loss was observed at the contour surface regions. The center and contour regions are the high-strained regions in the part. To validate the model, forging experiments mimicking simulations were performed in the α + β phases region (930 °C). The selected locations of the part were characterized for tensile properties at 27 and 200 °C, hardness, microstructure, grain size, and the amount of primary α phase based on the strain distribution results. The soundness of the forged part was verified using fluorescent penetrant test (Mil Std 2175 Grade A) and ultrasonic test (AMS 2630 class A1). From the experimental results, it was found that the variations in the hardness, tensile properties at room, and elevated temperature are not significant. The microstructure, grain size, and primary α phase content are nearly same.

Searching for Supersolidity in Ultracold Atomic Bose Condensates with Rashba Spin-Orbit Coupling

NASA Astrophysics Data System (ADS)

Liao, Renyuan

2018-04-01

We developed a functional integral formulation for the stripe phase of spinor Bose-Einstein condensates with Rashba spin-orbit coupling. The excitation spectrum is found to exhibit double gapless band structures, identified to be two Goldstone modes resulting from spontaneously broken internal gauge symmetry and translational invariance symmetry. The sound velocities display anisotropic behavior with the lower branch vanishing in the direction perpendicular to the stripe in the x -y plane. At the transition point between the plane-wave phase and the stripe phase, physical quantities such as fluctuation correction to the ground-state energy and quantum depletion of the condensates exhibit discontinuity, characteristic of the first-order phase transition. Despite strong quantum fluctuations induced by Rashba spin-orbit coupling, we show that the supersolid phase is stable against quantum depletion. Finally, we extend our formulation to finite temperatures to account for interactions between excitations.

Importance of many-body dispersion and temperature effects on gas-phase gold cluster (meta)stability

NASA Astrophysics Data System (ADS)

Goldsmith, Bryan R.; Gruene, Philipp; Lyon, Jonathan T.; Rayner, David M.; Fielicke, André; Scheffler, Matthias; Ghiringhelli, Luca M.

Gold clusters in the gas phase exhibit many structural isomers that are shown to intercovert frequently, even at room temperature. We performed ab initio replica-exchange molecular dynamics (REMD) calculations on gold clusters (of sizes 5-14 atoms) to identify metastable states and their relative populations at finite temperature, as well as to examine the importance of temperature and van der Waals (vdW) on their isomer energetic ordering. Free energies of the gold cluster isomers are optimally estimated using the Multistate Bennett Acceptance Ratio. The distribution of bond coordination numbers and radius of gyration are used to address the challenge of discriminating isomers along their dynamical trajectories. Dispersion effects are important for stabilizing three-dimensional structures relative to planar structures and brings isomer energetic predictions to closer quantitative agreement compared with RPA@PBE calculations. We find that higher temperatures typically stabilize metastable three-dimensional structures relative to planar/quasiplanar structures. Computed IR spectra of low free energy Au9, Au10, and Au12 isomers are in agreement with experimental spectra obtained by far-IR multiple photon dissociation in a molecular beam at 100 K.

Thermal analysis of a Phase Change Material for a Solar Organic Rankine Cycle

NASA Astrophysics Data System (ADS)

Iasiello, M.; Braimakis, K.; Andreozzi, A.; Karellas, S.

2017-11-01

Organic Rankine Cycle (ORC) is a promising technology for low temperature power generation, for example for the utilization of medium temperature solar energy. Since heat generated from solar source is variable throughout the day, the implementation of Thermal Energy Storage (TES) systems to guarantee the continuous operation of solar ORCs is a critical task, and Phase Change Materials (PCM) rely on latent heat to store large amounts of energy. In the present study, a thermal analysis of a PCM for a solar ORC is carried out. Three different types of PCMs are analyzed. The energy equation for the PCM is modeled by using the heat capacity method, and it is solved by employing a 1Dexplicit finite difference scheme. The solar source is modeled with a time-variable temperature boundary condition, with experimental data taken from the literature for two different solar collectors. Results are presented in terms of temperature profiles and stored energy. It has been shown that the stored energy depends on the heat source temperature, on the employed PCM and on the boundary conditions. It has been demonstrated that the use of a metal foam can drastically enhance the stored energy due to the higher overall thermal conductivity.

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.

Matter-wave dark solitons: stochastic versus analytical results.

PubMed

Cockburn, S P; Nistazakis, H E; Horikis, T P; Kevrekidis, P G; Proukakis, N P; Frantzeskakis, D J

2010-04-30

The dynamics of dark matter-wave solitons in elongated atomic condensates are discussed at finite temperatures. Simulations with the stochastic Gross-Pitaevskii equation reveal a noticeable, experimentally observable spread in individual soliton trajectories, attributed to inherent fluctuations in both phase and density of the underlying medium. Averaging over a number of such trajectories (as done in experiments) washes out such background fluctuations, revealing a well-defined temperature-dependent temporal growth in the oscillation amplitude. The average soliton dynamics is well captured by the simpler dissipative Gross-Pitaevskii equation, both numerically and via an analytically derived equation for the soliton center based on perturbation theory for dark solitons.

Phase and microstructural development in alumina sol-gel coatings on CoCr alloy.

PubMed

Bae, I J; Standard, O C; Roger, G J; Brazil, D

2004-09-01

Phase transformation of gamma-Al(2)O(3) to alpha-Al(2)O(3) in alumina sol gel coatings on biomedical CoCr alloy was studied as function of heat treatment temperature and time. Transformation in unseeded coatings was significant only above approximately 1200 degrees C. Addition of alpha-Al(2)O(3) seed particles having an average size of approximately 40 nm lowered the phase transformation temperature to around 800 degrees C. These particles were considered to act as heterogeneous nucleation sites for epitaxial growth of the alpha-Al(2)O(3) phase. The kinetics and activation energy (420 kJ/mol) for the phase transformation in the seeded coatings were similar to those reported for seeded monolithic alumina gels indicating that the transformation mechanism is the same in the two material configurations. Avrami growth parameters indicated that the mechanism was diffusion controlled and invariant over the temperature range studied but that growth was possibly constrained by the finite size of the seed particles and/or coating thickness. The phase transformation occurred by the growth of alpha-Al(2)O(3) grains at the expense of the precursor fine-grained gamma-Al(2)O(3) matrix and near-complete transformation coincided with physical impingement of the growing grains. The grain size at impingement was approximately 100 nm which agreed well with that predicted from the theoretical linear spacing of seed particles in the initial sol.

Extended Bose Hubbard model of interacting bosonic atoms in optical lattices: From superfluidity to density waves

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

Mazzarella, G.; Giampaolo, S. M.; Illuminati, F.

2006-01-15

For systems of interacting, ultracold spin-zero neutral bosonic atoms, harmonically trapped and subject to an optical lattice potential, we derive an Extended Bose Hubbard (EBH) model by developing a systematic expansion for the Hamiltonian of the system in powers of the lattice parameters and of a scale parameter, the lattice attenuation factor. We identify the dominant terms that need to be retained in realistic experimental conditions, up to nearest-neighbor interactions and nearest-neighbor hoppings conditioned by the on-site occupation numbers. In the mean field approximation, we determine the free energy of the system and study the phase diagram both at zeromore » and at finite temperature. At variance with the standard on site Bose Hubbard model, the zero-temperature phase diagram of the EBH model possesses a dual structure in the Mott insulating regime. Namely, for specific ranges of the lattice parameters, a density wave phase characterizes the system at integer fillings, with domains of alternating mean occupation numbers that are the atomic counterparts of the domains of staggered magnetizations in an antiferromagnetic phase. We show as well that in the EBH model, a zero-temperature quantum phase transition to pair superfluidity is, in principle, possible, but completely suppressed at the lowest order in the lattice attenuation factor. Finally, we determine the possible occurrence of the different phases as a function of the experimentally controllable lattice parameters.« less

Magneto-electronic phase separation in doped cobaltites

NASA Astrophysics Data System (ADS)

He, Chunyong

This thesis work mainly focuses on magneto-electronic phase separation (MEPS), an effect where chemically homogeneous materials display inhomogeneous magnetic and electronic properties. A model system La1-xSrxCoO3 (LSCO) is chosen for the study of MEPS. The doping evolution of MEPS in LSCO single crystals is extensively studied through complementary experimental techniques including heat capacity, small angle neutron scattering, magnetometry, and transport. It is found that there exists a finite doping range over which MEPS occurs. The doping range determined from different experimental techniques is found to be in good agreement. Also, this same doping range is reproduced by statistical simulations incorporating local compositional fluctuations. The excellent agreement between experimental data and statistical simulations leads to the conclusion that the MEPS in LSCO is driven solely by inevitable local compositional fluctuations at nanoscopic length scales. Such a conclusion indicates that nanoscopic MEPS is doping fluctuation-driven rather than electronically-driven in LSCO. The effect of microscopic magneto-electronic phase separation on electrical transport in LSCO is also examined. It is demonstrated (i) that the T = 0 metal-insulator transition can be understood within double exchange-modified percolation framework, and, (ii) that the onset of a phase-pure low T ferromagnetic state at high x has a profound effect on the high T transport. In addition, a new origin for finite spin Co ions in LaCoO3 is revealed via a Schottky Anomaly in the heat capacity, which was not previously known. Such a discovery casts a new understanding of the spin state at low temperature. Via small-angle neutron scattering and d.c. susceptibility, it is revealed that short-range ordered FM clusters exist below a well-defined temperature (T*) in highly doped LSCO. It is demonstrated that the characteristics of this clustered state appear quite unlike those of a Griffiths phase. Finally, through magenetometry and SANS, the magneto-crystalline anisotropy of highly doped LSCO is studied and the easy and hard magnetization axes are determined.

Vortex depinning as a nonequilibrium phase transition phenomenon: Scaling of current-voltage curves near the low and the high critical-current states in 2 H -Nb S2 single crystals

NASA Astrophysics Data System (ADS)

Bag, Biplab; Sivananda, Dibya J.; Mandal, Pabitra; Banerjee, S. S.; Sood, A. K.; Grover, A. K.

2018-04-01

The vortex depinning phenomenon in single crystals of 2 H -Nb S2 superconductors is used as a prototype for investigating properties of the nonequilibrium (NEQ) depinning phase transition. The 2 H -Nb S2 is a unique system as it exhibits two distinct depinning thresholds, viz., a lower critical current Icl and a higher one Ich. While Icl is related to depinning of a conventional, static (pinned) vortex state, the state with Ich is achieved via a negative differential resistance (NDR) transition where the velocity abruptly drops. Using a generalized finite-temperature scaling ansatz, we study the scaling of current (I)-voltage (V) curves measured across Icl and Ich. Our analysis shows that for I >Icl , the moving vortex state exhibits Arrhenius-like thermally activated flow behavior. This feature persists up to a current value where an inflexion in the IV curves is encountered. While past measurements have often reported similar inflexion, our analysis shows that the inflexion is a signature of a NEQ phase transformation from a thermally activated moving vortex phase to a free flowing phase. Beyond this inflection in IV, a large vortex velocity flow regime is encountered in the 2 H -Nb S2 system, wherein the Bardeen-Stephen flux flow limit is crossed. In this regime the NDR transition is encountered, leading to the high Ich state. The IV curves above Ich we show do not obey the generalized finite-temperature scaling ansatz (as obeyed near Icl). Instead, they scale according to the Fisher's scaling form [Fisher, Phys. Rev. B 31, 1396 (1985), 10.1103/PhysRevB.31.1396] where we show thermal fluctuations do not affect the vortex flow, unlike that found for depinning near Icl.

Optical and thermal-transport properties of an inhomogeneous d-wave superconductor.

PubMed

Atkinson, W A; Hirschfeld, P J

2002-05-06

We calculate transport properties of disordered 2D d-wave superconductors from solutions of the Bogoliubov-de Gennes equations, and show that weak localization effects give rise to a finite-frequency peak in the optical conductivity similar to that observed in experiments on disordered cuprates. At low energies, order parameter inhomogeneities induce linear and quadratic temperature dependencies in microwave and thermal conductivities respectively, and appear to drive the system towards a quasiparticle insulating phase.

Stripe order from the perspective of the Hubbard model

DOE PAGES

Huang, Edwin W.; Mendl, Christian B.; Jiang, Hong-Chen; ...

2018-04-20

A microscopic understanding of the strongly correlated physics of the cuprates must account for the translational and rotational symmetry breaking that is present across all cuprate families, commonly in the form of stripes. Here we investigate emergence of stripes in the Hubbard model, a minimal model believed to be relevant to the cuprate superconductors, using determinant quantum Monte Carlo (DQMC) simulations at finite temperatures and density matrix renormalization group (DMRG) ground state calculations. By varying temperature, doping, and model parameters, we characterize the extent of stripes throughout the phase diagram of the Hubbard model. Our results show that including themore » often neglected next-nearest-neighbor hopping leads to the absence of spin incommensurability upon electron-doping and nearly half-filled stripes upon hole-doping. The similarities of these findings to experimental results on both electron and hole-doped cuprate families support a unified description across a large portion of the cuprate phase diagram.« less

Stripe order from the perspective of the Hubbard model

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

Huang, Edwin W.; Mendl, Christian B.; Jiang, Hong-Chen

A microscopic understanding of the strongly correlated physics of the cuprates must account for the translational and rotational symmetry breaking that is present across all cuprate families, commonly in the form of stripes. Here we investigate emergence of stripes in the Hubbard model, a minimal model believed to be relevant to the cuprate superconductors, using determinant quantum Monte Carlo (DQMC) simulations at finite temperatures and density matrix renormalization group (DMRG) ground state calculations. By varying temperature, doping, and model parameters, we characterize the extent of stripes throughout the phase diagram of the Hubbard model. Our results show that including themore » often neglected next-nearest-neighbor hopping leads to the absence of spin incommensurability upon electron-doping and nearly half-filled stripes upon hole-doping. The similarities of these findings to experimental results on both electron and hole-doped cuprate families support a unified description across a large portion of the cuprate phase diagram.« less

On the stability of a quasicrystal and its crystalline approximant in a system of hard disks with a soft corona

NASA Astrophysics Data System (ADS)

Pattabhiraman, Harini; Gantapara, Anjan P.; Dijkstra, Marjolein

2015-10-01

Using computer simulations, we study the phase behavior of a model system of colloidal hard disks with a diameter σ and a soft corona of width 1.4σ. The particles interact with a hard core and a repulsive square-shoulder potential. We calculate the free energy of the random-tiling quasicrystal and its crystalline approximants using the Frenkel-Ladd method. We explicitly account for the configurational entropy associated with the number of distinct configurations of the random-tiling quasicrystal. We map out the phase diagram and find that the random tiling dodecagonal quasicrystal is stabilised by entropy at finite temperatures with respect to the crystalline approximants that we considered, and its stability region seems to extend to zero temperature as the energies of the defect-free quasicrystal and the crystalline approximants are equal within our statistical accuracy.

Phase II Testing of Liquid Cooling Garments Using a Sweating Manikin, Controlled by a Human Physiological Model

NASA Technical Reports Server (NTRS)

Paul, Heather; Trevino, Luis; Bue,Grant; Rugh, John

2006-01-01

An Advanced Automotive Manikin (ADAM) developed at the National Renewable Energy Laboratory (NREL) is used to evaluate NASA's liquid cooling garments (LCGs) used in advanced space suits for extravehicular applications. The manikin has 120 separate heated/sweating zones and is controlled by a finite element physiological model of the human thermoregulatory system. Previous testing showed the thermal sensation and comfort followed the expected trends as the LCG inlet fluid temperature was changed. The Phase II test data demonstrates the repeatability of ADAM by retesting the baseline LCG. Skin and core temperature predictions using ADAM in an LCG/Arctic suit combination are compared to NASA physiological data to validate the manikin/model. Additional LCG configurations are assessed using the manikin and compared to the baseline LCG. Results can extend to other personal protective clothing, including HAZMAT suits, nuclear/biological/chemical protective suits, and fire protection suits.

Thermodynamic theory of intrinsic finite size effects in PbTiO3 nanocrystals. II. Dielectric and piezoelectric properties

NASA Astrophysics Data System (ADS)

Akdogan, E. K.; Safari, A.

2007-03-01

We compute the intrinsic dielectric and piezoelectric properties of single domain, mechanically free, and surface charge compensated PbTiO3 nanocrystals (n-Pt) with no depolarization fields, undergoing a finite size induced first order tetragonal→cubic ferrodistortive phase transition. By using a Landau-Devonshire type free energy functional, in which Landau coefficients are a function of nanoparticle size, we demonstrate substantial deviations from bulk properties in the range <150 nm. We find a decrease in dielectric susceptibility at the transition temperature with decreasing particle size, which we verify to be in conformity with predictions of lattice dynamics considerations. We also find an anomalous increase in piezocharge coefficients near ˜15 nm , the critical size for n-Pt.

Possible formation of high temperature superconductor at an early stage of heavy-ion collisions

NASA Astrophysics Data System (ADS)

Liu, Hao; Yu, Lang; Chernodub, Maxim; Huang, Mei

2016-12-01

We investigate the effect of the inverse magnetic catalysis (IMC) on charged ρ meson condensation at finite temperature in the framework of the Nambu-Jona-Lasinio model, where mesons are calculated to the leading order of 1 /Nc expansion. The IMC for chiral condensate has been considered using three different approaches: incorporating the chiral condensate from lattice data, using the running coupling constant, and introducing the chiral chemical potential, respectively. It is observed that with no IMC effect included, the critical magnetic field e Bc for charged ρ condensation increases monotonically with the temperature. However, including IMC substantially affects the polarized charged ρ condensation around the critical temperature Tc of the chiral phase transition: first, the critical magnetic field e Bc for the charged ρ condensation decreases with the temperature, reaches its minimum value around Tc, and then increases with the temperature. It is quite surprising that the charged ρ can condense above the critical temperature of chiral phase transition with a even smaller critical magnetic field comparing its vacuum value. The Nambu-Jona-Lasinio model calculation shows that in the temperature region of 1 - 1.5 Tc , the critical magnetic field for charged ρ condensation is rather small and in the region of e Bc˜0.15 - 0.3 GeV2 , which suggests that high temperature superconductor might be created through noncentral heavy ion collisions at LHC energies.

Electronic and thermodynamic properties of layered Hf2Sfrom first-principles calculations

NASA Astrophysics Data System (ADS)

Nandadasa, Chandani; Yoon, Mina; Kim, Seong-Gon; Erwin, Steve; Kim, Sungho; Kim, Sung Wng; Lee, Kimoon

Theoretically we explored two stable phases of inorganic fullerene-like structure of the layered dihafnium sulfide (Hf2 S) . We investigated structural and electronic properties of the two phases of Hf2 S by using first-principles calculations. Our calculation identifies experimentally observed anti-NbS2 structure of Hf2 S . Our electronic calculation results indicate that the density of states of anti- NbS2 structure of Hf2 S at fermi level is less than that of the other phase of Hf2 S . To study the relative stability of different phases at finite temperature Helmholtz free energies of two phases are obtained using density functional theory and density functional perturbation theory. The free energy of the anti-NbS2 structure of Hf2 S always lies below the free energy of the other phase by confirming the most stable structure of Hf2 S . The phonon dispersion, phonon density of states including partial density of states and total density of states are obtained within density functional perturbation theory. Our calculated zero-pressure phonon dispersion curves confirm that the thermodynamic stability of Hf2 S structures. For further investigation of thermodynamic properties, the temperature dependency of thermal expansion, heat capacities at constant pressure and volume are evaluated within the quasiharmonic approximations (QHA).

PRELIMINARY PROGRESS IN THE DEVELOPMENT OF DUCTILE-PHASE TOUGHENED TUNGSTEN FOR PLASMA-FACING MATERIALS: DUAL-PHASE FINITE ELEMENT DAMAGE MODELS

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

Henager, Charles H.; Nguyen, Ba Nghiep; Kurtz, Richard J.

The objective of this study is to develop a finite element continuum damage model suitable for modeling deformation, cracking, and crack bridging for W-Cu, W-Ni-Fe, and other ductile phase toughened W-composites, or more generally, any multi-phase composite structure where two or more phases undergo cooperative deformation in a composite system.

On the formulation and assessment of flamelet-generated manifolds applied to two-phase turbulent combustion

NASA Astrophysics Data System (ADS)

Bojko, Brian T.

Accounting for the effects of finite rate chemistry in reacting flows is intractable when considering the number of species and reactions to be solved for during a large scale flow simulation. This is especially complicated when solid/liquid fuels are also considered. While modeling the reacting boundary layer with the use of finite-rate chemistry may allow for a highly accurate description of the coupling between the flame and fuel surface, it is not tractable in large scale simulations when considering detailed chemical kinetics. It is the goal of this research to investigate a Flamelet-Generated Manifold (FGM) method in order to reduce the finite rate chemistry to a lookup table cataloged by progress variables and queried during runtime. In this study, simplified unsteady 1D flames with mass blowing are considered for a solid biomass fuel where the FGM method is employed as a model reduction strategy for potential application to multidimensional calculations. Two types of FGM are considered. The first are a set of steady-state flames differentiated by their scalar dissipation rate. Results show the use of steady flames produce unacceptable errors compared to the finite-rate chemistry solution, with temperature errors in excess of 45%. To avoid these errors, a new methodology for developing an unsteady FGM (UFGM) is presented that accounts for unsteady diffusion effects and greatly reduces errors in temperature with differences that are under 10%. The FGM modeling is then extended to individual droplet combustion with the development of a Droplet Flamelet-Generated Manifold (DFGM) to account for the effects of finite-rate chemistry of individual droplets. A spherically symmetric droplet model is developed for methanol and aluminum. The inclusion of finite-rate chemistry allows the capturing of the transition from diffusion to kinetically controlled combustion as the droplet diameter decreases. The droplet model is then used to create a DFGM by successively solving the 1D flame equations at varying drop sizes, where the source terms for energy, mixture fraction, and progress variable are cataloged as a function of normalized diameter. A unique coupling of the DFGM and planar UFGM is developed and is used to account for individual and gas phase combustion processes in turbulent combustion situations, such as spray flames, particle laden blasts, etc. The DFGM for the methanol and aluminum droplets are used in mixed Eulerian and Eulerian-Lagrangian formulations of compressible multiphase flows. System level simulations are conducted and compared experimental data for a methanol spray flame and an aluminized blast studied at the Explosives Components Facility (ECF) at Sandia National Laboratories.

Generalization of soft phonon modes

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

Rudin, Sven P.

Soft phonon modes describe a collective movement of atoms that transform a higher-symmetry crystal structure into a lower-symmetry crystal structure. Such structural transformations occur at finite temperatures, where the phonons (i.e., the low-temperature vibrational modes) and the static perfect crystal structures provide an incomplete picture of the dynamics. In this paper, principal vibrational modes (PVMs) are introduced as descriptors of the dynamics of a material system withmore » $N$ atoms. The PVMs represent the independent collective movements of the atoms at a given temperature. Molecular dynamics (MD) simulations, here in the form of quantum MD using density functional theory calculations, provide both the data describing the atomic motion and the data used to construct the PVMs. The leading mode, $${\\mathrm{PVM}}_{0}$$, represents the $3N$-dimensional direction in which the system moves with greatest amplitude. For structural phase transitions, $${\\mathrm{PVM}}_{0}$$ serves as a generalization of soft phonon modes. At low temperatures, $${\\mathrm{PVM}}_{0}$$ reproduces the soft phonon mode in systems where one phonon dominates the phase transformation. In general, multiple phonon modes combine to describe a transformation, in which case $${\\mathrm{PVM}}_{0}$$ culls these phonon modes. Moreover, while soft phonon modes arise in the higher-symmetry crystal structure, $${\\mathrm{PVM}}_{0}$$ can be equally well calculated on either side of the structural phase transition. Finally, two applications demonstrate these properties: first, transitions into and out of bcc titanium, and, second, the two crystal structures proposed for the $${\\beta}$$ phase of uranium, the higher-symmetry structure of which stabilizes with temperature.« less

Effect of the lattice dynamics on the electronic structure of paramagnetic NiO within the disordered local moment picture

NASA Astrophysics Data System (ADS)

Mozafari, Elham; Alling, Björn; Belov, Maxim P.; Abrikosov, Igor A.

2018-01-01

Using the disordered local moments approach in combination with the ab initio molecular dynamics method, we simulate the behavior of a paramagnetic phase of NiO at finite temperatures to investigate the effect of magnetic disorder, thermal expansion, and lattice vibrations on its electronic structure. In addition, we study its lattice dynamics. We verify the reliability of our theoretical scheme via comparison of our results with available experiment and earlier theoretical studies carried out within static approximations. We present the phonon dispersion relations for the paramagnetic rock-salt (B1) phase of NiO and demonstrate that it is dynamically stable. We observe that including the magnetic disorder to simulate the paramagnetic phase has a small yet visible effect on the band gap. The amplitude of the local magnetic moment of Ni ions from our calculations for both antiferromagnetic and paramagnetic phases agree well with other theoretical and experimental values. We demonstrate that the increase of temperature up to 1000 K does not affect the electronic structure strongly. Taking into account the lattice vibrations and thermal expansion at higher temperatures have a major impact on the electronic structure, reducing the band gap from ˜3.5 eV at 600 K to ˜2.5 eV at 2000 K. We conclude that static lattice approximations can be safely employed in simulations of the paramagnetic state of NiO up to relatively high temperatures (˜1000 K), but as we get closer to the melting temperature vibrational effects become quite large and therefore should be included in the calculations.

Generalization of soft phonon modes

DOE PAGES

Rudin, Sven P.

2018-04-27

Soft phonon modes describe a collective movement of atoms that transform a higher-symmetry crystal structure into a lower-symmetry crystal structure. Such structural transformations occur at finite temperatures, where the phonons (i.e., the low-temperature vibrational modes) and the static perfect crystal structures provide an incomplete picture of the dynamics. In this paper, principal vibrational modes (PVMs) are introduced as descriptors of the dynamics of a material system withmore » $N$ atoms. The PVMs represent the independent collective movements of the atoms at a given temperature. Molecular dynamics (MD) simulations, here in the form of quantum MD using density functional theory calculations, provide both the data describing the atomic motion and the data used to construct the PVMs. The leading mode, $${\\mathrm{PVM}}_{0}$$, represents the $3N$-dimensional direction in which the system moves with greatest amplitude. For structural phase transitions, $${\\mathrm{PVM}}_{0}$$ serves as a generalization of soft phonon modes. At low temperatures, $${\\mathrm{PVM}}_{0}$$ reproduces the soft phonon mode in systems where one phonon dominates the phase transformation. In general, multiple phonon modes combine to describe a transformation, in which case $${\\mathrm{PVM}}_{0}$$ culls these phonon modes. Moreover, while soft phonon modes arise in the higher-symmetry crystal structure, $${\\mathrm{PVM}}_{0}$$ can be equally well calculated on either side of the structural phase transition. Finally, two applications demonstrate these properties: first, transitions into and out of bcc titanium, and, second, the two crystal structures proposed for the $${\\beta}$$ phase of uranium, the higher-symmetry structure of which stabilizes with temperature.« less

Heat transfer and thermal management of electric vehicle batteries with phase change materials

NASA Astrophysics Data System (ADS)

Ramandi, M. Y.; Dincer, I.; Naterer, G. F.

2011-07-01

This paper examines a passive thermal management system for electric vehicle batteries, consisting of encapsulated phase change material (PCM) which melts during a process to absorb the heat generated by a battery. A new configuration for the thermal management system, using double series PCM shells, is analyzed with finite volume simulations. A combination of computational fluid dynamics (CFD) and second law analysis is used to evaluate and compare the new system against the single PCM shells. Using a finite volume method, heat transfer in the battery pack is examined and the results are used to analyse the exergy losses. The simulations provide design guidelines for the thermal management system to minimize the size and cost of the system. The thermal conductivity and melting temperature are studied as two important parameters in the configuration of the shells. Heat transfer from the surroundings to the PCM shell in a non-insulated case is found to be infeasible. For a single PCM system, the exergy efficiency is below 50%. For the second case for other combinations, the exergy efficiencies ranged from 30-40%. The second shell content did not have significant influence on the exergy efficiencies. The double PCM shell system showed higher exergy efficiencies than the single PCM shell system (except a case for type PCM-1). With respect to the reference environment, it is found that in all cases the exergy efficiencies decreased, when the dead-state temperatures rises, and the destroyed exergy content increases gradually. For the double shell systems for all dead-state temperatures, the efficiencies were very similar. Except for a dead-state temperature of 302 K, with the other temperatures, the exergy efficiencies for different combinations are well over 50%. The range of exergy efficiencies vary widely between 15 and 85% for a single shell system, and between 30-80% for double shell systems.

Experimental evidence of phase coherence of magnetohydrodynamic turbulence in the solar wind: GEOTAIL satellite data.

PubMed

Koga, D; Chian, A C-L; Hada, T; Rempel, E L

2008-02-13

Magnetohydrodynamic (MHD) turbulence is commonly observed in the solar wind. Nonlinear interactions among MHD waves are likely to produce finite correlation of the wave phases. For discussions of various transport processes of energetic particles, it is fundamentally important to determine whether the wave phases are randomly distributed (as assumed in the quasi-linear theory) or have a finite coherence. Using a method based on the surrogate data technique, we analysed the GEOTAIL magnetic field data to evaluate the phase coherence in MHD turbulence in the Earth's foreshock region. The results demonstrate the existence of finite phase correlation, indicating that nonlinear wave-wave interactions are in progress.

Singular ferromagnetic susceptibility of the transverse-field Ising antiferromagnet on the triangular lattice

NASA Astrophysics Data System (ADS)

Biswas, Sounak; Damle, Kedar

2018-02-01

A transverse magnetic field Γ is known to induce antiferromagnetic three-sublattice order of the Ising spins σz in the triangular lattice Ising antiferromagnet at low enough temperature. This low-temperature order is known to melt on heating in a two-step manner, with a power-law ordered intermediate temperature phase characterized by power-law correlations at the three-sublattice wave vector Q : <σz(R ⃗) σz(0 ) > ˜cos(Q .R ⃗) /|R⃗| η (T ) with the temperature-dependent power-law exponent η (T )∈(1 /9 ,1 /4 ) . Here, we use a quantum cluster algorithm to study the ferromagnetic easy-axis susceptibility χu(L ) of an L ×L sample in this power-law ordered phase. Our numerical results are consistent with a recent prediction of a singular L dependence χu(L ) ˜L2 -9 η when η (T ) is in the range (1 /9 ,2 /9 ) . This finite-size result implies, via standard scaling arguments, that the ferromagnetic susceptibility χu(B ) to a uniform field B along the easy axis is singular at intermediate temperatures in the small B limit, χu(B ) ˜|B| -4/-18 η 4 -9 η for η (T )∈(1 /9 ,2 /9 ) , although there is no ferromagnetic long-range order in the low temperature state. Additionally we establish similar two-step melting behavior (via a study of the order parameter susceptibility χQ) in the case of the ferrimagnetic three-sublattice ordered phase which is stabilized by ferromagnetic next-neighbor couplings (J2) and confirm that the ferromagnetic susceptibility obeys the predicted singular form in the associated power-law ordered phase.

Pseudogap temperature and effects of a harmonic trap in the BCS-BEC crossover regime of an ultracold Fermi gas

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

Tsuchiya, Shunji; Research and Education Center for Natural Sciences, Keio University, 4-1-1 Hiyoshi, Kanagawa 223-8521; CREST

2011-10-15

We theoretically investigate excitation properties in the pseudogap regime of a trapped Fermi gas. Using a combined T-matrix theory with the local density approximation, we calculate strong-coupling corrections to single-particle local density of states (LDOS), as well as the single-particle local spectral weight (LSW). Starting from the superfluid phase transition temperature T{sub c}, we clarify how the pseudogap structures in these quantities disappear with increasing the temperature. As in the case of a uniform Fermi gas, LDOS and LSW give different pseudogap temperatures T{sup *} and T{sup **} at which the pseudogap structures in these quantities completely disappear. Determining T{supmore » *} and T{sup **} over the entire BCS (Bardeen-Cooper-Schrieffer)-BEC (Bose-Einstein condensation) crossover region, we identify the pseudogap regime in the phase diagram with respect to the temperature and the interaction strength. We also show that the so-called back-bending peak recently observed in the photoemission spectra by the JILA group may be explained as an effect of pseudogap phenomenon in the trap center. Since strong pairing fluctuations, spatial inhomogeneity, and finite temperatures are important keys in considering real cold Fermi gases, our results would be useful for clarifying normal-state properties of this strongly interacting Fermi system.« less

Evaluation of an improved finite-element thermal stress calculation technique

NASA Technical Reports Server (NTRS)

Camarda, C. J.

1982-01-01

A procedure for generating accurate thermal stresses with coarse finite element grids (Ojalvo's method) is described. The procedure is based on the observation that for linear thermoelastic problems, the thermal stresses may be envisioned as being composed of two contributions; the first due to the strains in the structure which depend on the integral of the temperature distribution over the finite element and the second due to the local variation of the temperature in the element. The first contribution can be accurately predicted with a coarse finite-element mesh. The resulting strain distribution can then be combined via the constitutive relations with detailed temperatures from a separate thermal analysis. The result is accurate thermal stresses from coarse finite element structural models even where the temperature distributions have sharp variations. The range of applicability of the method for various classes of thermostructural problems such as in-plane or bending type problems and the effect of the nature of the temperature distribution and edge constraints are addressed. Ojalvo's method is used in conjunction with the SPAR finite element program. Results are obtained for rods, membranes, a box beam and a stiffened panel.

Finite element methods for the biomechanics of soft hydrated tissues: nonlinear analysis and adaptive control of meshes.

PubMed

Spilker, R L; de Almeida, E S; Donzelli, P S

1992-01-01

This chapter addresses computationally demanding numerical formulations in the biomechanics of soft tissues. The theory of mixtures can be used to represent soft hydrated tissues in the human musculoskeletal system as a two-phase continuum consisting of an incompressible solid phase (collagen and proteoglycan) and an incompressible fluid phase (interstitial water). We first consider the finite deformation of soft hydrated tissues in which the solid phase is represented as hyperelastic. A finite element formulation of the governing nonlinear biphasic equations is presented based on a mixed-penalty approach and derived using the weighted residual method. Fluid and solid phase deformation, velocity, and pressure are interpolated within each element, and the pressure variables within each element are eliminated at the element level. A system of nonlinear, first-order differential equations in the fluid and solid phase deformation and velocity is obtained. In order to solve these equations, the contributions of the hyperelastic solid phase are incrementally linearized, a finite difference rule is introduced for temporal discretization, and an iterative scheme is adopted to achieve equilibrium at the end of each time increment. We demonstrate the accuracy and adequacy of the procedure using a six-node, isoparametric axisymmetric element, and we present an example problem for which independent numerical solution is available. Next, we present an automated, adaptive environment for the simulation of soft tissue continua in which the finite element analysis is coupled with automatic mesh generation, error indicators, and projection methods. Mesh generation and updating, including both refinement and coarsening, for the two-dimensional examples examined in this study are performed using the finite quadtree approach. The adaptive analysis is based on an error indicator which is the L2 norm of the difference between the finite element solution and a projected finite element solution. Total stress, calculated as the sum of the solid and fluid phase stresses, is used in the error indicator. To allow the finite difference algorithm to proceed in time using an updated mesh, solution values must be transferred to the new nodal locations. This rezoning is accomplished using a projected field for the primary variables. The accuracy and effectiveness of this adaptive finite element analysis is demonstrated using a linear, two-dimensional, axisymmetric problem corresponding to the indentation of a thin sheet of soft tissue. The method is shown to effectively capture the steep gradients and to produce solutions in good agreement with independent, converged, numerical solutions.

An augmented Young-Laplace model of an evaporating meniscus in a micro-channel with high heat flux

NASA Technical Reports Server (NTRS)

Wayner, P. C., Jr.; Plawsky, J.; Schonberg, J. A.; Dasgupta, S.

1993-01-01

High flux evaporations from a steady meniscus formed in a 2 micron channel is modeled using the augmented Young-Laplace equation. The heat flux is found to be a function of the long range van der Waals dispersion force which represents interfacial conditions between heptane and various substrates. Heat fluxes of (1.3-1.6) x 10(exp 6) W/m(exp 2) based on the width of the channel are obtained for heptane completely wetting the substrate at 100 C. Small channels are used to obtain these large fluxes. Even though the real contact angle is 0 deg, the apparent contact angle is found to vary between 24.8 deg and 25.6 deg. The apparent contact angle, which represents viscous losses near the contact line, has a large effect on the heat flow rate because of its effect on capillary suction and the area of the meniscus. The interfacial heat flux is modeled using kinetic theory for the evaporation rate. The superheated state depends on the temperature and the pressure of the liquid phase. The liquid pressure differs from the pressure of the vapor phase due to capillarity and long range van der Waals dispersion forces which are relevant in the ultra think film formed at the leading edge of the meniscus. Important pressure gradients in the thin film cause a substantial apparent contact angle for a complete wetting system. The temperature of the liquid is related to the evaporation rate and to the substrate temperature through the steady heat conduction equation. Conduction in the liquid phase is calculated using finite element analysis except in the vicinity of the thin film. A lubrication theory solution for the thin film is combined with the finite element analysis by the method of matched asymptotic expansions.

Field Theoretical Methods in Cosmology

NASA Astrophysics Data System (ADS)

Singh, Anupam

1995-01-01

To optimally utilize all the exciting cosmological data coming in we need to sharpen also the theoretical tools available to cosmologists. One such indispensible tool to understand hot big bang cosmology is finite temperature field theory. We review and summarise the efforts made by us to use finite temperature field theory to address issues of current interest to cosmologists. An introduction to both the real time and the imaginary time formalisms is provided. The imaginary time formalism is illustrated by applying it to understand the interesting possibility of late Time Phase Transitions. Recent observations of the space distribution of quasars indicate a very notable peak in space density at a redshift of 2 to 3. It is pointed out that this may be the result of a phase transition which has a critical temperature of roughly a few meV (in the cosmological units, h = c = k = 1), which is natural in the context of massive neutrinos. In fact, the neutrino masses required for quasar production and those required to solve the solar neutrino problem by the MSW mechanism are consistent with each other. As a bonus, the cosmological constant implied by this model may also help resolve the discrepancy between the recently measured value of the Hubble Constant and the age of the universe. We illustrate the real time formalism by studying one of the most important time-dependent and non-equilibrium phenomena associated with phase transitions. The non-equilibrium dynamics of the first stage of the reheating process, that is dissipation via particle production is studied in scalar field theories. We show that a complete understanding of the mechanism of dissipation via particle production requires a non-perturbative resummation. We then study a Hartree approximation and clearly exhibit dissipative effects related to particle production. The effect of dissipation by Goldstone bosons is studied non-perturbatively in the large N limit in an O(N) theory. We also place our work in perspective and point out some of the related issues which clearly need further exploration.

Extremal Optimization for estimation of the error threshold in topological subsystem codes at T = 0

NASA Astrophysics Data System (ADS)

Millán-Otoya, Jorge E.; Boettcher, Stefan

2014-03-01

Quantum decoherence is a problem that arises in implementations of quantum computing proposals. Topological subsystem codes (TSC) have been suggested as a way to overcome decoherence. These offer a higher optimal error tolerance when compared to typical error-correcting algorithms. A TSC has been translated into a planar Ising spin-glass with constrained bimodal three-spin couplings. This spin-glass has been considered at finite temperature to determine the phase boundary between the unstable phase and the stable phase, where error recovery is possible.[1] We approach the study of the error threshold problem by exploring ground states of this spin-glass with the Extremal Optimization algorithm (EO).[2] EO has proven to be a effective heuristic to explore ground state configurations of glassy spin-systems.[3

Simultaneous Chiral Symmetry Restoration and Deconfinement Consequences for the QCD Phase Diagram

NASA Astrophysics Data System (ADS)

Klähn, Thomas; Fischer, Tobias; Hempel, Matthias

2017-02-01

For studies of quark matter in astrophysical scenarios, the thermodynamic bag model is commonly employed. Although successful, it does not account for dynamical chiral symmetry breaking and repulsions due to the vector interaction which is crucial to explain recent observations of massive, two solar mass neutron stars. In Klähn & Fischer we developed the novel vBag quark matter model which takes these effects into account. This article extends vBag to finite temperatures and isospin asymmetry. Another particular feature of vBag is the determination of the deconfinement bag constant {B}{dc} from a given hadronic equation of state in order to ensure that chiral and deconfinement transitions coincide. We discuss consequences of this novel approach for the phase transition construction, the phase diagram, and implications for protoneutron stars.

Finite-time output feedback control of uncertain switched systems via sliding mode design

NASA Astrophysics Data System (ADS)

Zhao, Haijuan; Niu, Yugang; Song, Jun

2018-04-01

The problem of sliding mode control (SMC) is investigated for a class of uncertain switched systems subject to unmeasurable state and assigned finite (possible short) time constraint. A key issue is how to ensure the finite-time boundedness (FTB) of system state during reaching phase and sliding motion phase. To this end, a state observer is constructed to estimate the unmeasured states. And then, a state estimate-based SMC law is designed such that the state trajectories can be driven onto the specified integral sliding surface during the assigned finite time interval. By means of partitioning strategy, the corresponding FTB over reaching phase and sliding motion phase are guaranteed and the sufficient conditions are derived via average dwell time technique. Finally, an illustrative example is given to illustrate the proposed method.

THE TWO-LEVEL MODEL AT FINITE-TEMPERATURE

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

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.

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.

Interfaces in ferroelastics: Fringing fields, microstructure, and size and shape effects

NASA Astrophysics Data System (ADS)

Porta, Marcel; Castán, Teresa; Lloveras, Pol; Lookman, Turab; Saxena, Avadh; Shenoy, Subodh R.

2009-06-01

We develop a strain-based approach to study the transformation of a finite martensite domain within an austenite host matrix. Analytical and numerical solutions are obtained for the fringing fields in the austenite and in the martensite and we test how well the stress and strain matching conditions are obeyed at the habit planes. We investigate the scaling of the energy of the fringing fields and show how simulations on relaxed microstructures corroborate the 1/|ky| behavior for the energy in Fourier space. Our results show that the functional form F=F0+aL1ξ+bLL1/ξ for the total elastic energy provides an excellent fit to the numerical simulations, thus demonstrating that ξ˜L , where ξ is the twin width for a martensite region L×L1 with length of the habit plane L1 and where aL1ξ , bLL1/ξ , and F0 are the energies of the decaying strain field at the habit plane, twin-boundary energy, and energy of a single martensite variant, respectively. However, the result is only true for sufficiently large L and we provide insight into the breakdown of the ξ˜L scaling at the nanoscale. Our approach allows us to investigate the effect of varying the finite distance between habit planes, L , and our key finding is that there is a minimum length, Lmin , for the nucleation of the twinned martensite structure which depends on temperature. As the temperature is lowered, Lmin decreases, and at temperatures close to the stability limit of the austenite phase a lattice martensite structure in which the parent and product phases spatially alternate in a checker-board pattern is stable in a narrow region of the temperature versus L phase diagram. Such patterns have been seen at the nanoscale in lithium-based perovskites and inorganic spinels, as well as in coherent decomposition of precipitates in Co-Pt alloys. Finally, we show how the nature of the fringing fields due to an inclusion within an austenite matrix sensitively depends on its shape, size, and orientation and determines whether twinning or lattice martensite are the stable structures.

A finite element model of conduction, convection, and phase change near a solid/melt interface. Ph.D. Thesis - Michigan Univ.

NASA Technical Reports Server (NTRS)

Viterna, Larry A.

1991-01-01

Detailed understanding of heat transfer and fluid flow is required for many aerospace thermal systems. These systems often include phase change and operate over a range of accelerations or effective gravitational fields. An approach to analyzing such systems is presented which requires the simultaneous solution of the conservation laws of energy, momentum, and mass, as well as an equation of state. The variable property form of the governing equations are developed in two-dimensional Cartesian coordinates for a Newtonian fluid. A numerical procedure for solving the governing equations is presented and implemented in a computer program. The Galerkin form of the finite element method is used to solve the spatial variation of the field variables, along with the implicit Crank-Nicolson time marching algorithm. Quadratic Langrangian elements are used for the internal energy and the two components of velocity. Linear Lagrangian elements are used for the pressure. The location of the solid/liquid interface as well as the temperatures are determined form the calculated internal energy and pressure. This approach is quite general in that it can describe heat transfer without phase change, phase change with a sharp interface, and phase change without an interface. Analytical results from this model are compared to those of other researchers studying transient conduction, convection, and phase change and are found to be in good agreement. The numerical procedure presented requires significant computer resources, but this is not unusual when compared to similar studies by other researchers. Several methods are suggested to reduce the computational times.

Learning to classify in large committee machines

NASA Astrophysics Data System (ADS)

O'kane, Dominic; Winther, Ole

1994-10-01

The ability of a two-layer neural network to learn a specific non-linearly-separable classification task, the proximity problem, is investigated using a statistical mechanics approach. Both the tree and fully connected architectures are investigated in the limit where the number K of hidden units is large, but still much smaller than the number N of inputs. Both have continuous weights. Within the replica symmetric ansatz, we find that for zero temperature training, the tree architecture exhibits a strong overtraining effect. For nonzero temperature the asymptotic error is lowered, but it is still higher than the corresponding value for the simple perceptron. The fully connected architecture is considered for two regimes. First, for a finite number of examples we find a symmetry among the hidden units as each performs equally well. The asymptotic generalization error is finite, and minimal for T-->∞ where it goes to the same value as for the simple perceptron. For a large number of examples we find a continuous transition to a phase with broken hidden-unit symmetry, which has an asymptotic generalization error equal to zero.

Pseudo-transient heat transfer in vertical Bridgman crystal growth of semi-transparent materials

NASA Astrophysics Data System (ADS)

Barvinschi, F.; Nicoara, I.; Santailler, J. L.; Duffar, T.

1998-11-01

The temperature distribution and the solid-liquid interface shape during semi-transparent crystal growth have been studied by modelling a vertical Bridgman technique, using a pseudo-transient approximation in an ideal configuration. The heat transfer equation and the boundary conditions have been solved by the finite-element method. It has been pointed out that the optical absorption coefficients of the liquid and solid phases have a major effect on the thermal field, especially on the shape and location of the crystallization interface.

Casimir force in the Gödel space-time and its possible induced cosmological inhomogeneity

NASA Astrophysics Data System (ADS)

Khodabakhshi, Sh.; Shojai, A.

2017-07-01

The Casimir force between two parallel plates in the Gödel universe is computed for a scalar field at finite temperature. It is observed that when the plates' separation is comparable with the scale given by the rotation of the space-time, the force becomes repulsive and then approaches zero. Since it has been shown previously that the universe may experience a Gödel phase for a small period of time, the induced inhomogeneities from the Casimir force are also studied.

Higher order cumulants in colorless partonic plasma

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

Cherif, S.; Laboratoire de Physique et de Mathématiques Appliquées; Ahmed, M. A. A.

2016-06-10

Any physical system considered to study the QCD deconfinement phase transition certainly has a finite volume, so the finite size effects are inevitably present. This renders the location of the phase transition and the determination of its order as an extremely difficult task, even in the simplest known cases. In order to identify and locate the colorless QCD deconfinement transition point in finite volume T{sub 0}(V), a new approach based on the finite-size cumulant expansion of the order parameter and the ℒ{sub m,n}-Method is used. We have shown that both cumulants of higher order and their ratios, associated to themore » thermodynamical fluctuations of the order parameter, in QCD deconfinement phase transition behave in a particular enough way revealing pronounced oscillations in the transition region. The sign structure and the oscillatory behavior of these in the vicinity of the deconfinement phase transition point might be a sensitive probe and may allow one to elucidate their relation to the QCD phase transition point. In the context of our model, we have shown that the finite volume transition point is always associated to the appearance of a particular point in whole higher order cumulants under consideration.« less

Numerical modeling of experimental observations on gas formation and multi-phase flow of carbon dioxide in subsurface formations

NASA Astrophysics Data System (ADS)

Pawar, R.; Dash, Z.; Sakaki, T.; Plampin, M. R.; Lassen, R. N.; Illangasekare, T. H.; Zyvoloski, G.

2011-12-01

One of the concerns related to geologic CO2 sequestration is potential leakage of CO2 and its subsequent migration to shallow groundwater resources leading to geochemical impacts. Developing approaches to monitor CO2 migration in shallow aquifer and mitigate leakage impacts will require improving our understanding of gas phase formation and multi-phase flow subsequent to CO2 leakage in shallow aquifers. We are utilizing an integrated approach combining laboratory experiments and numerical simulations to characterize the multi-phase flow of CO2 in shallow aquifers. The laboratory experiments involve a series of highly controlled experiments in which CO2 dissolved water is injected in homogeneous and heterogeneous soil columns and tanks. The experimental results are used to study the effects of soil properties, temperature, pressure gradients and heterogeneities on gas formation and migration. We utilize the Finite Element Heat and Mass (FEHM) simulator (Zyvoloski et al, 2010) to numerically model the experimental results. The numerical models capture the physics of CO2 exsolution, multi-phase fluid flow as well as sand heterogeneity. Experimental observations of pressure, temperature and gas saturations are used to develop and constrain conceptual models for CO2 gas-phase formation and multi-phase CO2 flow in porous media. This talk will provide details of development of conceptual models based on experimental observation, development of numerical models for laboratory experiments and modelling results.

Optimization of the transition path of the head hardening with using the genetic algorithms

NASA Astrophysics Data System (ADS)

Wróbel, Joanna; Kulawik, Adam

2016-06-01

An automated method of choice of the transition path of the head hardening in heat treatment process for the plane steel element is proposed in this communication. This method determines the points on the path of moving heat source using the genetic algorithms. The fitness function of the used algorithm is determined on the basis of effective stresses and yield point depending on the phase composition. The path of the hardening tool and also the area of the heat affected zone is determined on the basis of obtained points. A numerical model of thermal phenomena, phase transformations in the solid state and mechanical phenomena for the hardening process is implemented in order to verify the presented method. A finite element method (FEM) was used for solving the heat transfer equation and getting required temperature fields. The moving heat source is modeled with a Gaussian distribution and the water cooling is also included. The macroscopic model based on the analysis of the CCT and CHT diagrams of the medium-carbon steel is used to determine the phase transformations in the solid state. A finite element method is also used for solving the equilibrium equations giving us the stress field. The thermal and structural strains are taken into account in the constitutive relations.

Stefan problem for a finite liquid phase and its application to laser or electron beam welding

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

Kasuya, T.; Shimoda, N.

1997-10-01

An exact solution of a heat conduction problem with the effect of latent heat of solidification (Stefan problem) is derived. The solution of the one dimensional Stefan problem for a finite liquid phase initially existing in a semi-infinite body is applied to evaluate temperature fields produced by laser or electron beam welding. The solution of the model has not been available before, as Carslaw and Jaeger [{ital Conduction of Heat in Solids}, 2nd ed. (Oxford University Press, New York, 1959)] pointed out. The heat conduction calculations are performed using thermal properties of carbon steel, and the comparison of the Stefanmore » problem with a simplified linear heat conduction model reveals that the solidification rate and cooling curve over 1273 K significantly depend on which model (Stefan or linear heat conduction problem) is applied, and that the type of the thermal model applied has little meaning for cooling curve below 1273 K. Since the heat conduction problems with a phase change arise in many important industrial fields, the solution derived in this study is ready to be used not only for welding but also for other industrial applications. {copyright} {ital 1997 American Institute of Physics.}« less

Lattice vibrations in the Frenkel-Kontorova model. I. Phonon dispersion, number density, and energy

NASA Astrophysics Data System (ADS)

Meng, Qingping; Wu, Lijun; Welch, David O.; Zhu, Yimei

2015-06-01

We studied the lattice vibrations of two interpenetrating atomic sublattices via the Frenkel-Kontorova (FK) model of a linear chain of harmonically interacting atoms subjected to an on-site potential using the technique of thermodynamic Green's functions based on quantum field-theoretical methods. General expressions were deduced for the phonon frequency-wave-vector dispersion relations, number density, and energy of the FK model system. As the application of the theory, we investigated in detail cases of linear chains with various periods of the on-site potential of the FK model. Some unusual but interesting features for different amplitudes of the on-site potential of the FK model are discussed. In the commensurate structure, the phonon spectrum always starts at a finite frequency, and the gaps of the spectrum are true ones with a zero density of modes. In the incommensurate structure, the phonon spectrum starts from zero frequency, but at a nonzero wave vector; there are some modes inside these gap regions, but their density is very low. In our approximation, the energy of a higher-order commensurate state of the one-dimensional system at a finite temperature may become indefinitely close to the energy of an incommensurate state. This finding implies that the higher-order incommensurate-commensurate transitions are continuous ones and that the phase transition may exhibit a "devil's staircase" behavior at a finite temperature.

Computer-simulation study of a disordered classical spin system in one dimension with long-range anisotropic ferromagnetic interactions

NASA Astrophysics Data System (ADS)

Romano, S.

1992-01-01

The present paper considers a classical system, consisting of n-component unit vectors (n=2 or 3), associated with a one-dimensional lattice \\{uk||k∈openZ\\}, and interacting via a translationally invariant pair potential of the long-range, ferromagnetic and anisotropic form W=Wjk=-ɛ||j-k||-2(auj,nuk,n +b tsumλ

In-plane and Interlaminar Shear Strength of a Unidirectional Hi-nicalon Fiber-reinforced Celsian Matrix Composite

NASA Technical Reports Server (NTRS)

Uenal, O.; Bansal, N. P.

2000-01-01

In-plane and interlaminar shear strength of a unidirectional SiC fiber-reinforced (BaSr)Al2Si2O8 celsian composite were measured by the double-notch shear test method between room temperature and 1200 C. The interlaminar shear strength was lower than the in-plane shear strength at all temperatures. Stress analysis, using finite element modeling, indicated that shear stress concentration was not responsible for the observed difference in strength. Instead, the difference in layer architecture and thus, the favorable alignment of fiber-rich layers with the shear plane in the interlaminar specimens appears to be the reason for the low strength of this composite. A rapid decrease in strength was observed with temperature due to softening of the glassy phase in the material.

Probing baryogenesis through the Higgs boson self-coupling

NASA Astrophysics Data System (ADS)

Reichert, M.; Eichhorn, A.; Gies, H.; Pawlowski, J. M.; Plehn, T.; Scherer, M. M.

2018-04-01

The link between a modified Higgs self-coupling and the strong first-order phase transition necessary for baryogenesis is well explored for polynomial extensions of the Higgs potential. We broaden this argument beyond leading polynomial expansions of the Higgs potential to higher polynomial terms and to nonpolynomial Higgs potentials. For our quantitative analysis we resort to the functional renormalization group, which allows us to evolve the full Higgs potential to higher scales and finite temperature. In all cases we find that a strong first-order phase transition manifests itself in an enhancement of the Higgs self-coupling by at least 50%, implying that such modified Higgs potentials should be accessible at the LHC.

Simulating condensation on microstructured surfaces using Lattice Boltzmann Method

NASA Astrophysics Data System (ADS)

Alexeev, Alexander; Vasyliv, Yaroslav

2017-11-01

We simulate a single component fluid condensing on 2D structured surfaces with different wettability. To simulate the two phase fluid, we use the athermal Lattice Boltzmann Method (LBM) driven by a pseudopotential force. The pseudopotential force results in a non-ideal equation of state (EOS) which permits liquid-vapor phase change. To account for thermal effects, the athermal LBM is coupled to a finite volume discretization of the temperature evolution equation obtained using a thermal energy rate balance for the specific internal energy. We use the developed model to probe the effect of surface structure and surface wettability on the condensation rate in order to identify microstructure topographies promoting condensation. Financial support is acknowledged from Kimberly-Clark.

Soft-Matter Resistive Sensor for Measuring Shear and Pressure Stresses

NASA Astrophysics Data System (ADS)

Tepayotl-Ramirez, Daniel; Roberts, Peter; Majidi, Carmel

2013-03-01

Building on emerging paradigms in soft-matter electronics, we introduce liquid-phase electronic sensors that simultaneously measures elastic pressure and shear deformation. The sensors are com- posed of a sheet of elastomer that is embedded with fluidic channels containing eutectic Gallium- Indium (EGaIn), a metal alloy that is liquid at room temperature. Applying pressure or shear traction to the surface of the surrounding elastomer causes the elastomer to elastically deform and changes the geometry and electrical properties of the embedded liquid-phase circuit elements. We introduce analytic models that predict the electrical response of the sensor to prescribed surface tractions. These models are validated with both Finite Element Analysis (FEA) and experimental measurements.

Ferromagnetic quantum critical point avoided by the appearance of another magnetic phase in LaCrGe 3 under pressure

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

Taufour, Valentin; Kaluarachchi, Udhara S.; Khasanov, Rustem

2016-07-13

Here, the temperature-pressure phase diagram of the ferromagnet LaCrGe 3 is determined for the first time from a combination of magnetization, muon-spin-rotation, and electrical resistivity measurements. The ferromagnetic phase is suppressed near 2.1 GPa, but quantum criticality is avoided by the appearance of a magnetic phase, likely modulated, AFMQ. Our density functional theory total energy calculations suggest a near degeneracy of antiferromagnetic states with small magnetic wave vectors Q allowing for the potential of an ordering wave vector evolving from Q=0 to finite Q, as expected from the most recent theories on ferromagnetic quantum criticality. Our findings show that LaCrGemore » 3 is a very simple example to study this scenario of avoided ferromagnetic quantum criticality and will inspire further study on this material and other itinerant ferromagnets.« less

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

Nakano, Yuki; Matsui, Tetsuo; Ishima, Takumi

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}{submore » 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.« less

DUCTILE-PHASE TOUGHENED TUNGSTEN FOR PLASMA-FACING MATERIALS IN FUSION REACTORS

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

Henager, Charles H.; Setyawan, Wahyu; Roosendaal, Timothy J.

2017-05-01

Tungsten (W) and W-alloys are the leading candidates for plasma-facing components in nuclear fusion reactor designs because of their high melting point, strength retention at high temperatures, high thermal conductivity, and low sputtering yield. However, tungsten is brittle and does not exhibit the required fracture toughness for licensing in nuclear applications. A promising approach to increasing fracture toughness of W-alloys is by ductile-phase toughening (DPT). In this method, a ductile phase is included in a brittle matrix to prevent on inhibit crack propagation by crack blunting, crack bridging, crack deflection, and crack branching. Model examples of DPT tungsten are exploredmore » in this study, including W-Cu and W-Ni-Fe powder product composites. Three-point and four-point notched and/or pre-cracked bend samples were tested at several strain rates and temperatures to help understand deformation, cracking, and toughening in these materials. Data from these tests are used for developing and calibrating crack-bridging models. Finite element damage mechanics models are introduced as a modeling method that appears to capture the complexity of crack growth in these materials.« less

Finite-element reentry heat-transfer analysis of space shuttle Orbiter

NASA Technical Reports Server (NTRS)

Ko, William L.; Quinn, Robert D.; Gong, Leslie

1986-01-01

A structural performance and resizing (SPAR) finite-element thermal analysis computer program was used in the heat-transfer analysis of the space shuttle orbiter subjected to reentry aerodynamic heating. Three wing cross sections and one midfuselage cross section were selected for the thermal analysis. The predicted thermal protection system temperatures were found to agree well with flight-measured temperatures. The calculated aluminum structural temperatures also agreed reasonably well with the flight data from reentry to touchdown. The effects of internal radiation and of internal convection were found to be significant. The SPAR finite-element solutions agreed reasonably well with those obtained from the conventional finite-difference method.

Unusually sharp paramagnetic phase transition in thin film Fe3Pt invar

NASA Astrophysics Data System (ADS)

Drisko, Jasper; Cumings, John

2013-03-01

Invar alloys, typically 3d transition metal rich systems, are most commonly known for their extremely low coefficients of thermal expansion (CTE) over a wide range of temperatures close to room temperature. This anomalous behavior in the CTE lends Invar to a variety of important applications in precision mechanical devices, scientific instruments, and sensors, among others. Many theoretical models of Invar have been proposed over the years, the most promising of which is a system described by two coexisting phases, one high-spin high-volume and the other low-spin low-volume, that compete to stabilize the volume of the material as the temperature is changed. However, no theory has yet been able to explain all experimental observations across the range of Invar alloys, especially at finite temperature. We have fabricated thin films of a Fe3Pt Invar alloy and investigate them using Lorentz Transmission Electron Microscopy (TEM). 23nm films are deposited onto SiN membrane substrates via radio-frequency magnetron sputtering from a pure Fe target decorated with Pt pieces. We observe novel magnetic domain structures and an unusually sharp phase transition between ferromagnetic (FM) and paramagnetic (PM) regions of the film under a temperature gradient. This sharp transition suggests that the FM-to-PM transition may be first order, perhaps containing a structural-elastic component to the order parameter. However, electron diffraction reveals that both the FM and PM regions have the same FCC crystal structure.

High-frequency sum rules for classical one-component plasma in a magnetic field

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

Genga, R.O.

A high-frequency sum-rule expansion is derived for all elements of a classical plasma dielectric tensor in the presence of an external magnetic field. Omega/sub 4//sup 13/ is found to be the only coefficient of omega/sup -4/ that has no correlational and finite-radiation-temperature contributions. The finite-radiation-temperature effect results in an upward renormalization of the frequencies of the modes; it also leads to either reduction of the negative correlational effect on the positive thermal dispersion or, together with correlation, enhancement of the positive thermal dispersion for finite k, depending on the direction of propagation. Further, for the extraordinary mode, the finite-radiation-temperature effectmore » increases the positive refractive dispersion for finite k.« less

Universalities of thermodynamic signatures in topological phases

PubMed Central

Kempkes, S. N.; Quelle, A.; Smith, C. Morais

2016-01-01

Topological insulators (superconductors) are materials that host symmetry-protected metallic edge states in an insulating (superconducting) bulk. Although they are well understood, a thermodynamic description of these materials remained elusive, firstly because the edges yield a non-extensive contribution to the thermodynamic potential, and secondly because topological field theories involve non-local order parameters, and cannot be captured by the Ginzburg-Landau formalism. Recently, this challenge has been overcome: by using Hill thermodynamics to describe the Bernevig-Hughes-Zhang model in two dimensions, it was shown that at the topological phase transition the thermodynamic potential does not scale extensively due to boundary effects. Here, we extend this approach to different topological models in various dimensions (the Kitaev chain and Su-Schrieffer-Heeger model in one dimension, the Kane-Mele model in two dimensions and the Bernevig-Hughes-Zhang model in three dimensions) at zero temperature. Surprisingly, all models exhibit the same universal behavior in the order of the topological-phase transition, depending on the dimension. Moreover, we derive the topological phase diagram at finite temperature using this thermodynamic description, and show that it displays a good agreement with the one calculated from the Uhlmann phase. Our work reveals unexpected universalities and opens the path to a thermodynamic description of systems with a non-local order parameter. PMID:27929041

Universalities of thermodynamic signatures in topological phases.

PubMed

Kempkes, S N; Quelle, A; Smith, C Morais

2016-12-08

Topological insulators (superconductors) are materials that host symmetry-protected metallic edge states in an insulating (superconducting) bulk. Although they are well understood, a thermodynamic description of these materials remained elusive, firstly because the edges yield a non-extensive contribution to the thermodynamic potential, and secondly because topological field theories involve non-local order parameters, and cannot be captured by the Ginzburg-Landau formalism. Recently, this challenge has been overcome: by using Hill thermodynamics to describe the Bernevig-Hughes-Zhang model in two dimensions, it was shown that at the topological phase transition the thermodynamic potential does not scale extensively due to boundary effects. Here, we extend this approach to different topological models in various dimensions (the Kitaev chain and Su-Schrieffer-Heeger model in one dimension, the Kane-Mele model in two dimensions and the Bernevig-Hughes-Zhang model in three dimensions) at zero temperature. Surprisingly, all models exhibit the same universal behavior in the order of the topological-phase transition, depending on the dimension. Moreover, we derive the topological phase diagram at finite temperature using this thermodynamic description, and show that it displays a good agreement with the one calculated from the Uhlmann phase. Our work reveals unexpected universalities and opens the path to a thermodynamic description of systems with a non-local order parameter.

A hybrid finite-element and cellular-automaton framework for modeling 3D microstructure of Ti–6Al–4V alloy during solid–solid phase transformation in additive manufacturing

NASA Astrophysics Data System (ADS)

Chen, Shaohua; Xu, Yaopengxiao; Jiao, Yang

2018-06-01

Additive manufacturing such as selective laser sintering and electron beam melting has become a popular technique which enables one to build near-net-shape product from packed powders. The performance and properties of the manufactured product strongly depends on its material microstructure, which is in turn determined by the processing conditions including beam power density, spot size, scanning speed and path etc. In this paper, we develop a computational framework that integrates the finite element method (FEM) and cellular automaton (CA) simulation to model the 3D microstructure of additively manufactured Ti–6Al–4V alloy, focusing on the β → α + β transition pathway in a consolidated alloy region as the power source moves away from this region. Specifically, the transient temperature field resulted from a scanning laser/electron beam following a zig-zag path is first obtained by solving nonlinear heat transfer equations using the FEM. Next, a CA model for the β → α + β phase transformation in the consolidated alloy is developed which explicitly takes into account the temperature dependent heterogeneous nucleation and anisotropic growth of α grains from the parent β phase field. We verify our model by reproducing the overall transition kinetics predicted by the Johnson–Mehl–Avrami–Kolmogorov theory under a typical processing condition and by quantitatively comparing our simulation results with available experimental data. The utility of the model is further demonstrated by generating large-field realistic 3D alloy microstructures for subsequent structure-sensitive micro-mechanical analysis. In addition, we employ our model to generate a wide spectrum of alloy microstructures corresponding to different processing conditions for establishing quantitative process-structure relations for the system.

Holographic superconductors in the presence of dark matter

NASA Astrophysics Data System (ADS)

Rogatko, Marek; Wysokiński, Karol I.

2017-10-01

The application of the gauge-gravity duality, also known as anti-de Sitter/conformal field theory (AdS/CFT) correspondence to study condensed matter systems has resulted in a number of important findings. Using the analogy, we have studied the phase transitions between a holographic insulator and a metal at zero temperature as well as finite temperature transition between a metal and a holographic superconductor of s- and p-wave symmetry. The main aim of this note is to look in which way the dark matter might affect the properties of superconductors. The hope is that some of the observed modifications could be used to detect this ubiquitous but still elusive component of matter in the Universe.

Neutron diffraction measurements and modeling of residual strains in metal matrix composites

NASA Technical Reports Server (NTRS)

Saigal, A.; Leisk, G. G.; Hubbard, C. R.; Misture, S. T.; Wang, X. L.

1996-01-01

Neutron diffraction measurements at room temperature are used to characterize the residual strains in tungsten fiber-reinforced copper matrix, tungsten fiber-reinforced Kanthal matrix, and diamond particulate-reinforced copper matrix composites. Results of finite element modeling are compared with the neutron diffraction data. In tungsten/Kanthal composites, the fibers are in compression, the matrix is in tension, and the thermal residual strains are a strong function of the volume fraction of fibers. In copper matrix composites, the matrix is in tension and the stresses are independent of the volume fraction of tungsten fibers or diamond particles and the assumed stress free temperature because of the low yield strength of the matrix phase.

Canted antiferromagnetism in phase-pure CuMnSb

NASA Astrophysics Data System (ADS)

Regnat, A.; Bauer, A.; Senyshyn, A.; Meven, M.; Hradil, K.; Jorba, P.; Nemkovski, K.; Pedersen, B.; Georgii, R.; Gottlieb-Schönmeyer, S.; Pfleiderer, C.

2018-05-01

We report the low-temperature properties of phase-pure single crystals of the half-Heusler compound CuMnSb grown by means of optical float zoning. The magnetization, specific heat, electrical resistivity, and Hall effect of our single crystals exhibit an antiferromagnetic transition at TN=55 K and a second anomaly at a temperature T*≈34 K. Powder and single-crystal neutron diffraction establish an ordered magnetic moment of (3.9 ±0.1 ) μB/f .u . , consistent with the effective moment inferred from the Curie-Weiss dependence of the susceptibility. Below TN, the Mn sublattice displays commensurate type-II antiferromagnetic order with propagation vectors and magnetic moments along <111 > (magnetic space group R [I ]3 c ). Surprisingly, below T*, the moments tilt away from <111 > by a finite angle δ ≈11∘ , forming a canted antiferromagnetic structure without uniform magnetization consistent with magnetic space group C [B ]c . Our results establish that type-II antiferromagnetism is not the zero-temperature magnetic ground state of CuMnSb as may be expected of the face-centered cubic Mn sublattice.

Effect of platykurtic and leptokurtic distributions in the random-field Ising model: mean-field approach.

PubMed

Duarte Queirós, Sílvio M; Crokidakis, Nuno; Soares-Pinto, Diogo O

2009-07-01

The influence of the tail features of the local magnetic field probability density function (PDF) on the ferromagnetic Ising model is studied in the limit of infinite range interactions. Specifically, we assign a quenched random field whose value is in accordance with a generic distribution that bears platykurtic and leptokurtic distributions depending on a single parameter tau<3 to each site. For tau<5/3, such distributions, which are basically Student-t and r distribution extended for all plausible real degrees of freedom, present a finite standard deviation, if not the distribution has got the same asymptotic power-law behavior as a alpha-stable Lévy distribution with alpha=(3-tau)/(tau-1). For every value of tau, at specific temperature and width of the distribution, the system undergoes a continuous phase transition. Strikingly, we impart the emergence of an inflexion point in the temperature-PDF width phase diagrams for distributions broader than the Cauchy-Lorentz (tau=2) which is accompanied with a divergent free energy per spin (at zero temperature).

Thermomechanical Fatigue of Ductile Cast Iron and Its Life Prediction

NASA Astrophysics Data System (ADS)

Wu, Xijia; Quan, Guangchun; MacNeil, Ryan; Zhang, Zhong; Liu, Xiaoyang; Sloss, Clayton

2015-06-01

Thermomechanical fatigue (TMF) behaviors of ductile cast iron (DCI) were investigated under out-of-phase (OP), in-phase (IP), and constrained strain-control conditions with temperature hold in various temperature ranges: 573 K to 1073 K, 723 K to 1073 K, and 433 K to 873 K (300 °C to 800 °C, 450 °C to 800 °C, and 160 °C to 600 °C). The integrated creep-fatigue theory (ICFT) model was incorporated into the finite element method to simulate the hysteresis behavior and predict the TMF life of DCI under those test conditions. With the consideration of four deformation/damage mechanisms: (i) plasticity-induced fatigue, (ii) intergranular embrittlement, (iii) creep, and (iv) oxidation, as revealed from the previous study on low cycle fatigue of the material, the model delineates the contributions of these physical mechanisms in the asymmetrical hysteresis behavior and the damage accumulation process leading to final TMF failure. This study shows that the ICFT model can simulate the stress-strain response and life of DCI under complex TMF loading profiles (OP and IP, and constrained with temperature hold).

Finite Element Simulation and Experimental Verification of Internal Stress of Quenched AISI 4140 Cylinders

NASA Astrophysics Data System (ADS)

Liu, Yu; Qin, Shengwei; Hao, Qingguo; Chen, Nailu; Zuo, Xunwei; Rong, Yonghua

2017-03-01

The study of internal stress in quenched AISI 4140 medium carbon steel is of importance in engineering. In this work, the finite element simulation (FES) was employed to predict the distribution of internal stress in quenched AISI 4140 cylinders with two sizes of diameter based on exponent-modified (Ex-Modified) normalized function. The results indicate that the FES based on Ex-Modified normalized function proposed is better consistent with X-ray diffraction measurements of the stress distribution than FES based on normalized function proposed by Abrassart, Desalos and Leblond, respectively, which is attributed that Ex-Modified normalized function better describes transformation plasticity. Effect of temperature distribution on the phase formation, the origin of residual stress distribution and effect of transformation plasticity function on the residual stress distribution were further discussed.

Finite size effects in ferroelectric-semiconductor thin films under open-circuit electric boundary conditions

DOE PAGES

Eliseev, Eugene A.; Kalinin, Sergei V.; Morozovska, Anna N.

2015-01-21

General features of finite size effects in the ferroelectric-semiconductor film under open-circuit electric boundary conditions are analyzed using Landau-Ginzburg-Devonshire theory and continuum media electrostatics. The temperature dependence of the film critical thickness, spontaneous polarization and depolarization field profiles of the open-circuited films are found to be significantly different from the characteristics of short-circuited ones. In particular, we predict the re-entrant type transition boundary between the mono-domain and poly-domain ferroelectric states due to reduced internal screening efficiency and analyzed possible experimental scenarios created by this mechanism. Performed analysis is relevant for the quantitative description of free-standing ferroelectric films phase diagrams andmore » polar properties. Also our results can be useful for the explanation of the scanning-probe microscopy experiments on free ferroelectric surfaces.« less

Finite element analysis of cylinder shell resonator and design of intelligent density meter

NASA Astrophysics Data System (ADS)

W, Sui X.; M, Fan Y.; X, Zhang G.; R, Qiu Z.

2005-01-01

On the basis of the mathematical model and finite element analysis of the cylinder shell resonator, a novel resonant liquid density meter is designed. The meter consists of a cylinder shell resonator fixed on both ends, a measurement circuit with automatic gain control and automatic phase control, and a signal processing system with microcomputer unit C8051F021. The density meter is insensitive to the liquid pressure, and it can intelligently compensate for the temperature. The experiment results show the meter characteristic coefficients of K0, K1, and K2 at 25 centigrade are -129.5668 kg m-3, -0.2535 × 106 kg m-3 s-1 and 0.6239 × 1010 kg m-3 s-2, respectively. The accuracy of the sensor is ±0.1% in range of 700-900 kg m-3

Topological magnons in a kagome-lattice spin system with X X Z and Dzyaloshinskii-Moriya interactions

NASA Astrophysics Data System (ADS)

Seshadri, Ranjani; Sen, Diptiman

2018-04-01

We study the phases of a spin system on the kagome lattice with nearest-neighbor X X Z interactions with anisotropy ratio Δ and Dzyaloshinskii-Moriya interactions with strength D . In the classical limit where the spin S at each site is very large, we find a rich phase diagram of the ground state as a function of Δ and D . There are five distinct phases which correspond to different ground-state spin configurations in the classical limit. We use spin-wave theory to find the bulk energy bands of the magnons in some of these phases. We also study a strip of the system which has infinite length and finite width; we find states which are localized near one of the edges of the strip with energies which lie in the gaps of the bulk states. In the ferromagnetic phase in which all the spins point along the +z ̂ or -z ̂ direction, the bulk bands are separated from each other by finite energy gaps. This makes it possible to calculate the Berry curvature at all momenta, and hence the Chern numbers for every band; the number of edge states is related to the Chern numbers. Interestingly, we find that there are four different regions in this phase where the Chern numbers are different. Hence there are four distinct topological phases even though the ground-state spin configuration is identical in all these phases. We calculate the thermal Hall conductivity of the magnons as a function of the temperature in the above ferromagnetic phase; we find that this can distinguish between the various topological phases. These results are valid for all values of S . In the other phases, there are no gaps between the different bands; hence the edge states are not topologically protected.

A Thermal Performance Analysis and Comparison of Fiber Coils with the D-CYL Winding and QAD Winding Methods.

PubMed

Li, Xuyou; Ling, Weiwei; He, Kunpeng; Xu, Zhenlong; Du, Shitong

2016-06-16

The thermal performance under variable temperature conditions of fiber coils with double-cylinder (D-CYL) and quadrupolar (QAD) winding methods is comparatively analyzed. Simulation by the finite element method (FEM) is done to calculate the temperature distribution and the thermal-induced phase shift errors in the fiber coils. Simulation results reveal that D-CYL fiber coil itself has fragile performance when it experiences an axially asymmetrical temperature gradient. However, the axial fragility performance could be improved when the D-CYL coil meshes with a heat-off spool. Through further simulations we find that once the D-CYL coil is provided with an axially symmetrical temperature environment, the thermal performance of fiber coils with the D-CYL winding method is better than that with the QAD winding method under the same variable temperature conditions. This valuable discovery is verified by two experiments. The D-CYL winding method is thus promising to overcome the temperature fragility of interferometric fiber optic gyroscopes (IFOGs).

A Thermal Performance Analysis and Comparison of Fiber Coils with the D-CYL Winding and QAD Winding Methods

PubMed Central

Li, Xuyou; Ling, Weiwei; He, Kunpeng; Xu, Zhenlong; Du, Shitong

2016-01-01

The thermal performance under variable temperature conditions of fiber coils with double-cylinder (D-CYL) and quadrupolar (QAD) winding methods is comparatively analyzed. Simulation by the finite element method (FEM) is done to calculate the temperature distribution and the thermal-induced phase shift errors in the fiber coils. Simulation results reveal that D-CYL fiber coil itself has fragile performance when it experiences an axially asymmetrical temperature gradient. However, the axial fragility performance could be improved when the D-CYL coil meshes with a heat-off spool. Through further simulations we find that once the D-CYL coil is provided with an axially symmetrical temperature environment, the thermal performance of fiber coils with the D-CYL winding method is better than that with the QAD winding method under the same variable temperature conditions. This valuable discovery is verified by two experiments. The D-CYL winding method is thus promising to overcome the temperature fragility of interferometric fiber optic gyroscopes (IFOGs). PMID:27322271

Nonperturbative finite-temperature Yang-Mills theory

NASA Astrophysics Data System (ADS)

Cyrol, Anton K.; Mitter, Mario; Pawlowski, Jan M.; Strodthoff, Nils

2018-03-01

We present nonperturbative correlation functions in Landau-gauge Yang-Mills theory at finite temperature. The results are obtained from the functional renormalisation group within a self-consistent approximation scheme. In particular, we compute the magnetic and electric components of the gluon propagator, and the three- and four-gluon vertices. We also show the ghost propagator and the ghost-gluon vertex at finite temperature. Our results for the propagators are confronted with lattice simulations and our Debye mass is compared to hard thermal loop perturbation theory.

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

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

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.

Phase transitions in Ising models on directed networks

NASA Astrophysics Data System (ADS)

Lipowski, Adam; Ferreira, António Luis; Lipowska, Dorota; Gontarek, Krzysztof

2015-11-01

We examine Ising models with heat-bath dynamics on directed networks. Our simulations show that Ising models on directed triangular and simple cubic lattices undergo a phase transition that most likely belongs to the Ising universality class. On the directed square lattice the model remains paramagnetic at any positive temperature as already reported in some previous studies. We also examine random directed graphs and show that contrary to undirected ones, percolation of directed bonds does not guarantee ferromagnetic ordering. Only above a certain threshold can a random directed graph support finite-temperature ferromagnetic ordering. Such behavior is found also for out-homogeneous random graphs, but in this case the analysis of magnetic and percolative properties can be done exactly. Directed random graphs also differ from undirected ones with respect to zero-temperature freezing. Only at low connectivity do they remain trapped in a disordered configuration. Above a certain threshold, however, the zero-temperature dynamics quickly drives the model toward a broken symmetry (magnetized) state. Only above this threshold, which is almost twice as large as the percolation threshold, do we expect the Ising model to have a positive critical temperature. With a very good accuracy, the behavior on directed random graphs is reproduced within a certain approximate scheme.

A simplified model for equilibrium and transient swelling of thermo-responsive gels.

PubMed

Drozdov, A D; deClaville Christiansen, J

2017-11-01

A simplified model is developed for the elastic response of thermo-responsive gels subjected to swelling under an arbitrary deformation with finite strains. The constitutive equations involve five adjustable parameters that are determined by fitting observations in equilibrium water uptake tests and T-jump transient tests on thin gel disks. Two scenarios for water release under heating are revealed by means of numerical simulation. When the final temperature in a T-jump test is below the volume-phase transition temperature, deswelling is characterized by smooth distribution of water molecules and small tensile stresses. When the final temperature exceeds the critical temperature, a gel disk is split into three regions (central part with a high concentration of water molecules and two domains near the boundaries with low water content) separated by sharp interfaces, whose propagation is accompanied by development of large (comparable with the elastic modulus) tensile stresses. Copyright © 2017 Elsevier Ltd. All rights reserved.

Boolean decision problems with competing interactions on scale-free networks: Equilibrium and nonequilibrium behavior in an external bias

NASA Astrophysics Data System (ADS)

Zhu, Zheng; Andresen, Juan Carlos; Moore, M. A.; Katzgraber, Helmut G.

2014-02-01

We study the equilibrium and nonequilibrium properties of Boolean decision problems with competing interactions on scale-free networks in an external bias (magnetic field). Previous studies at zero field have shown a remarkable equilibrium stability of Boolean variables (Ising spins) with competing interactions (spin glasses) on scale-free networks. When the exponent that describes the power-law decay of the connectivity of the network is strictly larger than 3, the system undergoes a spin-glass transition. However, when the exponent is equal to or less than 3, the glass phase is stable for all temperatures. First, we perform finite-temperature Monte Carlo simulations in a field to test the robustness of the spin-glass phase and show that the system has a spin-glass phase in a field, i.e., exhibits a de Almeida-Thouless line. Furthermore, we study avalanche distributions when the system is driven by a field at zero temperature to test if the system displays self-organized criticality. Numerical results suggest that avalanches (damage) can spread across the whole system with nonzero probability when the decay exponent of the interaction degree is less than or equal to 2, i.e., that Boolean decision problems on scale-free networks with competing interactions can be fragile when not in thermal equilibrium.

Simulation studies promote technological development of radiofrequency phased array hyperthermia.

PubMed

Wust, P; Seebass, M; Nadobny, J; Deuflhard, P; Mönich, G; Felix, R

1996-01-01

A treatment planning program package for radiofrequency hyperthermia has been developed. It consists of software modules for processing three-dimensional computerized tomography (CT) data sets, manual segmentation, generation of tetrahedral grids, numerical calculation and optimisation of three-dimensional E field distributions using a volume surface integral equation algorithm as well as temperature distributions using an adaptive multilevel finite-elements code, and graphical tools for simultaneous representation of CT data and simulation results. Heat treatments are limited by hot spots in healthy tissues caused by E field maxima at electrical interfaces (bone/muscle). In order to reduce or avoid hot spots suitable objective functions are derived from power deposition patterns and temperature distributions, and are utilised to optimise antenna parameters (phases, amplitudes). The simulation and optimisation tools have been applied to estimate the improvements that could be reached by upgrades of the clinically used SIGMA-60 applicator (consisting of a single ring of four antenna pairs). The investigated upgrades are increased number of antennas and channels (triple-ring of 3 x 8 antennas and variation of antenna inclination. Significant improvement of index temperatures (1-2 degrees C) is achieved by upgrading the single ring to a triple ring with free phase selection for every antenna or antenna pair. Antenna amplitudes and inclinations proved as less important parameters.

Finite temperature dynamics of a Holstein polaron: The thermo-field dynamics approach

NASA Astrophysics Data System (ADS)

Chen, Lipeng; Zhao, Yang

2017-12-01

Combining the multiple Davydov D2 Ansatz with the method of thermo-field dynamics, we study finite temperature dynamics of a Holstein polaron on a lattice. It has been demonstrated, using the hierarchy equations of motion method as a benchmark, that our approach provides an efficient, robust description of finite temperature dynamics of the Holstein polaron in the simultaneous presence of diagonal and off-diagonal exciton-phonon coupling. The method of thermo-field dynamics handles temperature effects in the Hilbert space with key numerical advantages over other treatments of finite-temperature dynamics based on quantum master equations in the Liouville space or wave function propagation with Monte Carlo importance sampling. While for weak to moderate diagonal coupling temperature increases inhibit polaron mobility, it is found that off-diagonal coupling induces phonon-assisted transport that dominates at high temperatures. Results on the mean square displacements show that band-like transport features dominate the diagonal coupling cases, and there exists a crossover from band-like to hopping transport with increasing temperature when including off-diagonal coupling. As a proof of concept, our theory provides a unified treatment of coherent and incoherent transport in molecular crystals and is applicable to any temperature.

The Generalized Hellmann-Feynman Theorem Approach to Quantum Effects of Mesoscopic Complicated Coupling Circuit at Finite Temperature

NASA Astrophysics Data System (ADS)

Wang, Xiu-Xia

2016-02-01

By employing the generalized Hellmann-Feynman theorem, the quantization of mesoscopic complicated coupling circuit is proposed. The ensemble average energy, the energy fluctuation and the energy distribution are investigated at finite temperature. It is shown that the generalized Hellmann-Feynman theorem plays the key role in quantizing a mesoscopic complicated coupling circuit at finite temperature, and when the temperature is lower than the specific temperature, the value of (\\vartriangle {hat {H}})2 is almost zero and the values of e and (\\vartriangle hat {{H}})2are basically constant, but while the temperature rises to the specific temperature, both of them move upward rapidly. The energy fluctuation of the system becomes larger when the coupling inductance is larger or the coupling capacitance is smaller.

GPS/INS Sensor Fusion Using GPS Wind up Model

NASA Technical Reports Server (NTRS)

Williamson, Walton R. (Inventor)

2013-01-01

A method of stabilizing an inertial navigation system (INS), includes the steps of: receiving data from an inertial navigation system; and receiving a finite number of carrier phase observables using at least one GPS receiver from a plurality of GPS satellites; calculating a phase wind up correction; correcting at least one of the finite number of carrier phase observables using the phase wind up correction; and calculating a corrected IMU attitude or velocity or position using the corrected at least one of the finite number of carrier phase observables; and performing a step selected from the steps consisting of recording, reporting, or providing the corrected IMU attitude or velocity or position to another process that uses the corrected IMU attitude or velocity or position. A GPS stabilized inertial navigation system apparatus is also described.

Friedberg-Lee model at finite temperature and density

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

Mao Hong; CCAST; Yao Minjie

2008-06-15

The Friedberg-Lee model is studied at finite temperature and density. By using the finite temperature field theory, the effective potential of the Friedberg-Lee model and the bag constant B(T) and B(T,{mu}) have been calculated at different temperatures and densities. It is shown that there is a critical temperature T{sub C}{approx_equal}106.6 MeV when {mu}=0 MeV and a critical chemical potential {mu}{approx_equal}223.1 MeV for fixing the temperature at T=50 MeV. We also calculate the soliton solutions of the Friedberg-Lee model at finite temperature and density. It turns out that when T{<=}T{sub C} (or {mu}{<=}{mu}{sub C}), there is a bag constant B(T) [ormore » B(T,{mu})] and the soliton solutions are stable. However, when T>T{sub C} (or {mu}>{mu}{sub C}) the bag constant B(T)=0 MeV [or B(T,{mu})=0 MeV] and there is no soliton solution anymore, therefore, the confinement of quarks disappears quickly.« less

Solid-liquid critical behavior of water in nanopores.

PubMed

Mochizuki, Kenji; Koga, Kenichiro

2015-07-07

Nanoconfined liquid water can transform into low-dimensional ices whose crystalline structures are dissimilar to any bulk ices and whose melting point may significantly rise with reducing the pore size, as revealed by computer simulation and confirmed by experiment. One of the intriguing, and as yet unresolved, questions concerns the observation that the liquid water may transform into a low-dimensional ice either via a first-order phase change or without any discontinuity in thermodynamic and dynamic properties, which suggests the existence of solid-liquid critical points in this class of nanoconfined systems. Here we explore the phase behavior of a model of water in carbon nanotubes in the temperature-pressure-diameter space by molecular dynamics simulation and provide unambiguous evidence to support solid-liquid critical phenomena of nanoconfined water. Solid-liquid first-order phase boundaries are determined by tracing spontaneous phase separation at various temperatures. All of the boundaries eventually cease to exist at the critical points and there appear loci of response function maxima, or the Widom lines, extending to the supercritical region. The finite-size scaling analysis of the density distribution supports the presence of both first-order and continuous phase changes between solid and liquid. At around the Widom line, there are microscopic domains of two phases, and continuous solid-liquid phase changes occur in such a way that the domains of one phase grow and those of the other evanesce as the thermodynamic state departs from the Widom line.

3D FE simulation of semi-finishing machining of Ti6Al4V additively manufactured by direct metal laser sintering

NASA Astrophysics Data System (ADS)

Imbrogno, Stano; Rinaldi, Sergio; Raso, Antonio; Bordin, Alberto; Bruschi, Stefania; Umbrello, Domenico

2018-05-01

The Additive Manufacturing techniques are gaining more and more interest in various industrial fields due to the possibility of drastically reduce the material waste during the production processes, revolutionizing the standard scheme and strategies of the manufacturing processes. However, the metal parts shape produced, frequently do not satisfy the tolerances as well as the surface quality requirements. During the design phase, the finite element simulation results a fundamental tool to help the engineers in the correct decision of the most suitable process parameters, especially in manufacturing processes, in order to produce products of high quality. The aim of this work is to develop a 3D finite element model of semi-finishing turning operation of Ti6Al4V, produced via Direct Metal Laser Sintering (DMLS). A customized user sub-routine was built-up in order to model the mechanical behavior of the material under machining operations to predict the main fundamental variables as cutting forces and temperature. Moreover, the machining induced alterations are also studied by the finite element model developed.

Statistical properties and condensate fluctuation of attractive Bose gas with finite number of particles

NASA Astrophysics Data System (ADS)

Bera, Sangita; Lekala, Mantile Leslie; Chakrabarti, Barnali; Bhattacharyya, Satadal; Rampho, Gaotsiwe Joel

2017-09-01

'We study the condensate fluctuation and several statistics of weakly interacting attractive Bose gas of 7 Li atoms in harmonic trap. Using exact recursion relation we calculate canonical ensemble partition function and study the thermal evolution of the condensate. As 7 Li condensate is associated with collapse, the number of condensate atom is truly finite and it facilitates to study the condensate in mesoscopic region. Being highly correlated, we utilize the two-body correlated basis function to get the many-body effective potential which is further used to calculate the energy levels. Taking van der Waals interaction as interatomic interaction we calculate several quantities like condensate fraction N, root-mean-square fluctuation δn0 and different orders of central moments. We observe the effect of finite size on the calculation of condensate fluctuations and the effect of attractive interaction over the noninteracting limit. We observe the depletion of the condensate with increase in temperature. The calculated moments nicely exhibit the mesoscopic effect. The sharp fall in the root-mean-square fluctuation near the critical point signifies the possibility of phase transition.

FAST TRACK COMMUNICATION: Finite-temperature magnetism in bcc Fe under compression

NASA Astrophysics Data System (ADS)

Sha, Xianwei; Cohen, R. E.

2010-09-01

We investigate the contributions of finite-temperature magnetic fluctuations to the thermodynamic properties of bcc Fe as functions of pressure. First, we apply a tight-binding total-energy model parameterized to first-principles linearized augmented plane-wave computations to examine various ferromagnetic, anti-ferromagnetic, and noncollinear spin spiral states at zero temperature. The tight-binding data are fit to a generalized Heisenberg Hamiltonian to describe the magnetic energy functional based on local moments. We then use Monte Carlo simulations to compute the magnetic susceptibility, the Curie temperature, heat capacity, and magnetic free energy. Including the finite-temperature magnetism improves the agreement with experiment for the calculated thermal expansion coefficients.

Phase transitions in core-collapse supernova matter at sub-saturation densities

NASA Astrophysics Data System (ADS)

Pais, Helena; Newton, William G.; Stone, Jirina R.

2014-12-01

Phase transitions in hot, dense matter in the collapsing cores of massive stars have an important impact on the core-collapse supernova mechanism as they absorb heat, disrupt homology, and so weaken the developing shock. We perform a three-dimensional, finite temperature Skyrme-Hartree-Fock (SHF) study of inhomogeneous nuclear matter to determine the critical density and temperature for the phase transition between the pasta phase and homogeneous matter and its properties. We employ four different parametrizations of the Skyrme nuclear energy-density functional, SkM*, SLy4, NRAPR, and SQMC700, which span a range of saturation-density symmetry energy behaviors constrained by a variety of nuclear experimental probes. For each of these interactions we calculate free energy, pressure, entropy, and chemical potentials in the range of particle number densities where the nuclear pasta phases are expected to exist, 0.02-0.12 fm-3, temperatures 2-8 MeV, and a proton fraction of 0.3. We find unambiguous evidence for a first-order phase transition to uniform matter, unsoftened by the presence of the pasta phases. No conclusive signs of a first-order phase transition between the pasta phases is observed, and it is argued that the thermodynamic quantities vary continuously right up to the first-order phase transition to uniform matter. We compare our results with thermodynamic spinodals calculated using the same Skyrme parametrizations, finding that the effect of short-range Coulomb correlations and quantum shell effects included in our model leads to the pasta phases existing at densities up to 0.01 fm-3 above the spinodal boundaries, thus increasing the transition density to uniform matter by the same amount. The transition density is otherwise shown to be insensitive to the symmetry energy at saturation density within the range constrained by the concordance of a variety of experimental constraints, and can be taken to be a well determined quantity.

Thermodynamics of phase-separating nanoalloys: Single particles and particle assemblies

NASA Astrophysics Data System (ADS)

Fèvre, Mathieu; Le Bouar, Yann; Finel, Alphonse

2018-05-01

The aim of this paper is to investigate the consequences of finite-size effects on the thermodynamics of nanoparticle assemblies and isolated particles. We consider a binary phase-separating alloy with a negligible atomic size mismatch, and equilibrium states are computed using off-lattice Monte Carlo simulations in several thermodynamic ensembles. First, a semi-grand-canonical ensemble is used to describe infinite assemblies of particles with the same size. When decreasing the particle size, we obtain a significant decrease of the solid/liquid transition temperatures as well as a growing asymmetry of the solid-state miscibility gap related to surface segregation effects. Second, a canonical ensemble is used to analyze the thermodynamic equilibrium of finite monodisperse particle assemblies. Using a general thermodynamic formulation, we show that a particle assembly may split into two subassemblies of identical particles. Moreover, if the overall average canonical concentration belongs to a discrete spectrum, the subassembly concentrations are equal to the semi-grand-canonical equilibrium ones. We also show that the equilibrium of a particle assembly with a prescribed size distribution combines a size effect and the fact that a given particle size assembly can adopt two configurations. Finally, we have considered the thermodynamics of an isolated particle to analyze whether a phase separation can be defined within a particle. When studying rather large nanoparticles, we found that the region in which a two-phase domain can be identified inside a particle is well below the bulk phase diagram, but the concentration of the homogeneous core remains very close to the bulk solubility limit.

Quantum electron-vibrational dynamics at finite temperature: Thermo field dynamics approach

NASA Astrophysics Data System (ADS)

Borrelli, Raffaele; Gelin, Maxim F.

2016-12-01

Quantum electron-vibrational dynamics in molecular systems at finite temperature is described using an approach based on the thermo field dynamics theory. This formulation treats temperature effects in the Hilbert space without introducing the Liouville space. A comparison with the theoretically equivalent density matrix formulation shows the key numerical advantages of the present approach. The solution of thermo field dynamics equations with a novel technique for the propagation of tensor trains (matrix product states) is discussed. Numerical applications to model spin-boson systems show that the present approach is a promising tool for the description of quantum dynamics of complex molecular systems at finite temperature.

Magnetic properties of the ternary alloy with a structure of Prussian blue analogs

NASA Astrophysics Data System (ADS)

Dely, J.; Bobák, A.

2007-01-01

The magnetic properties (phase diagram, compensation temperature, magnetic susceptibility, and magnetization) of the ABpC1-p ternary alloy in the presence of a single-ion anisotropy on the B ions only are investigated by the use of a mean-field theory. Depending on the values of the parameters in the model Hamiltonian, the present system may exhibit one, two or even three compensation temperatures Tk. It is shown that the total magnetic susceptibility of the ferrimagnetic system can generally take a finite value at transition temperature Tc only if the relation Tc=Tk is exactly satisfied. Also, by using this model, some characteristics observed in the Prussian blue analog of the type (FepIIMn1-pII)1.5[CrIII(CN)6]·nH2O are quantitatively or qualitatively well reproduced.

Evaluation of the finite element fuel rod analysis code (FRANCO)

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

Lee, K.; Feltus, M.A.

1994-12-31

Knowledge of temperature distribution in a nuclear fuel rod is required to predict the behavior of fuel elements during operating conditions. The thermal and mechanical properties and performance characteristics are strongly dependent on the temperature, which can vary greatly inside the fuel rod. A detailed model of fuel rod behavior can be described by various numerical methods, including the finite element approach. The finite element method has been successfully used in many engineering applications, including nuclear piping and reactor component analysis. However, fuel pin analysis has traditionally been carried out with finite difference codes, with the exception of Electric Powermore » Research Institute`s FREY code, which was developed for mainframe execution. This report describes FRANCO, a finite element fuel rod analysis code capable of computing temperature disrtibution and mechanical deformation of a single light water reactor fuel rod.« less

Unexpected Huge Dimerization Ratio in One-Dimensional Carbon Atomic Chains.

PubMed

Lin, Yung-Chang; Morishita, Shigeyuki; Koshino, Masanori; Yeh, Chao-Hui; Teng, Po-Yuan; Chiu, Po-Wen; Sawada, Hidetaka; Suenaga, Kazutomo

2017-01-11

Peierls theory predicted atomic distortion in one-dimensional (1D) crystal due to its intrinsic instability in 1930. Free-standing carbon atomic chains created in situ in transmission electron microscope (TEM)1-3 are an ideal example to experimentally observe the dimerization behavior of carbon atomic chain within a finite length. We report here a surprisingly huge distortion found in the free-standing carbon atomic chains at 773 K, which is 10 times larger than the value expected in the system. Such an abnormally distorted phase only dominates at the elevated temperatures, while two distinct phases, distorted and undistorted, coexist at lower or ambient temperatures. Atom-by-atom spectroscopy indeed shows considerable variations in the carbon 1s spectra at each atomic site but commonly observes a slightly downshifted π* peak, which proves its sp 1 bonding feature. These results suggest that the simple model, relaxed and straight, is not fully adequate to describe the realistic 1D structure, which is extremely sensitive to perturbations such as external force or boundary conditions.

Phase ordering dynamics of reconstituting particles

NASA Astrophysics Data System (ADS)

Albarracín, F. A. Gómez; Rosales, H. D.; Grynberg, M. D.

2017-06-01

We consider the large-time dynamics of one-dimensional processes involving adsorption and desorption of extended hard-core particles (dimers, trimers, ..., k -mers), while interacting through their constituent monomers. Desorption can occur whether or not these latter adsorbed together, which leads to reconstitution of k -mers and the appearance of sectors of motion with nonlocal conservation laws for k ≥3 . Dynamic exponents of the sector including the empty chain are evaluated by finite-size scaling analyses of the relaxation times embodied in the spectral gaps of evolution operators. For attractive interactions it is found that in the low-temperature limit such time scales converge to those of the Glauber dynamics, thus suggesting a diffusive universality class for k ≥2 . This is also tested by simulated quenches down to T =0 , where a common scaling function emerges. By contrast, under repulsive interactions the low-temperature dynamics is characterized by metastable states which decay subdiffusively to a highly degenerate and partially jammed phase.

Thermal control of low-pressure fractionation processes. [in basaltic magma solidification

NASA Technical Reports Server (NTRS)

Usselman, T. M.; Hodge, D. S.

1978-01-01

Thermal models detailing the solidification paths for shallow basaltic magma chambers (both open and closed systems) were calculated using finite-difference techniques. The total solidification time for closed chambers are comparable to previously published calculations; however, the temperature-time paths are not. These paths are dependent on the phase relations and the crystallinity of the system, because both affect the manner in which the latent heat of crystallization is distributed. In open systems, where a chamber would be periodically replenished with additional parental liquid, calculations indicate that the possibility is strong that a steady-state temperature interval is achieved near a major phase boundary. In these cases it is straightforward to analyze fractionation models of the basaltic liquid evolution and their corresponding cumulate sequences. This steady thermal fractionating state can be invoked to explain large amounts of erupted basalts of similar composition over long time periods from the same volcanic center and some rhythmically layered basic cumulate sequences.

Analytical solutions for benchmarking cold regions subsurface water flow and energy transport models: one-dimensional soil thaw with conduction and advection

USGS Publications Warehouse

Kurylyk, Barret L.; McKenzie, Jeffrey M; MacQuarrie, Kerry T. B.; Voss, Clifford I.

2014-01-01

Numerous cold regions water flow and energy transport models have emerged in recent years. Dissimilarities often exist in their mathematical formulations and/or numerical solution techniques, but few analytical solutions exist for benchmarking flow and energy transport models that include pore water phase change. This paper presents a detailed derivation of the Lunardini solution, an approximate analytical solution for predicting soil thawing subject to conduction, advection, and phase change. Fifteen thawing scenarios are examined by considering differences in porosity, surface temperature, Darcy velocity, and initial temperature. The accuracy of the Lunardini solution is shown to be proportional to the Stefan number. The analytical solution results obtained for soil thawing scenarios with water flow and advection are compared to those obtained from the finite element model SUTRA. Three problems, two involving the Lunardini solution and one involving the classic Neumann solution, are recommended as standard benchmarks for future model development and testing.

Disorder-induced Revival of the Bose-Einstein Condensation at High Magnetic Fields in Ni(Cl1-xBrx)2- 4SC(NH2)2

NASA Astrophysics Data System (ADS)

Laflorencie, Nicolas; Dupont, Maxime; Capponi, Sylvain

Building on recent NMR experiments, we theoretically investigate the high magnetic field regime of the disordered quasi-one-dimensional S = 1 antiferromagnetic material Ni(Cl1-xBrx)2- 4SC(NH2)2. The interplay between disorder, chemically controlled by Br-doping, interactions, and the external magnetic field, leads to a very rich phase diagram. Beyond the well-known antiferromagnetically ordered regime, analog of a Bose condensate of magnons, which disappears when H >= 12 . 3 T, we unveil a resurgence of phase coherence at higher field H 13 . 6 T, induced by the doping. Interchain couplings stabilize finite temperature long-range order whose extension in the field - temperature space is governed by the concentration of impurities x. Such a ``mini-condensation'' contrasts with previously reported Bose-glass physics in the same regime by Yu et al., and should be accessible to future experiments. Work supported by the French ANR program BOLODISS and by Region Midi-Pyrenees.

Thermal stability and formation barrier of a high-energetic material N8 polymer nitrogen encapsulated in (5,5) carbon nanotube

NASA Astrophysics Data System (ADS)

Ji, Wei; Timoshevskii, V.; Guo, H.; Abou-Rachid, Hakima; Lussier, Louis-Simon

2009-07-01

We report the density functional theory total energy calculations of thermal stability and formation barrier of polymer nitrogen confined in carbon nanotubes (CNT). The analysis suggests that N8 polymer nitrogen encapsulated in (5,5) carbon nanotube [N8@CNT(5,5)] is thermally (meta)stable at a finite temperature up to energy scale of at least 5000 K, similar to nitrogen molecule gas phase confined in CNT [N2@CNT(5,5)]. The energetic difference between these two phases of N does not significantly change with temperature. A barrier of 1.07 eV was found for the formation of N8@CNT(5,5) from N2@CNT(5,5), while the dissociation barrier was found to be 0.2 eV. Snapshots of the reaction pathway show that the transition state is composed by a N2 and a N6 inside a CNT(5,5).

Assessing Density Functionals Using Many Body Theory for Hybrid Perovskites

NASA Astrophysics Data System (ADS)

Bokdam, Menno; Lahnsteiner, Jonathan; Ramberger, Benjamin; Schäfer, Tobias; Kresse, Georg

2017-10-01

Which density functional is the "best" for structure simulations of a particular material? A concise, first principles, approach to answer this question is presented. The random phase approximation (RPA)—an accurate many body theory—is used to evaluate various density functionals. To demonstrate and verify the method, we apply it to the hybrid perovskite MAPbI3 , a promising new solar cell material. The evaluation is done by first creating finite temperature ensembles for small supercells using RPA molecular dynamics, and then evaluating the variance between the RPA and various approximate density functionals for these ensembles. We find that, contrary to recent suggestions, van der Waals functionals do not improve the description of the material, whereas hybrid functionals and the strongly constrained appropriately normed (SCAN) density functional yield very good agreement with the RPA. Finally, our study shows that in the room temperature tetragonal phase of MAPbI3 , the molecules are preferentially parallel to the shorter lattice vectors but reorientation on ps time scales is still possible.

Cranking of Nuclei at Finite Temperature:

NASA Astrophysics Data System (ADS)

Bartel, J.; Bencheikh, K.; Quentin, P.

We present a generalization of the Extended Thomas Fermi (ETF) theory to fermionic systems at finite temperature and finite angular momentum. In fact the present approach is more general in the sense that it is able to treat an excited system of fermions subject to an external vector field which in the case of nuclear rotations, developed more extensively here, is simply ěc{r}×ěc{ω }.

Numerical simulation of high-temperature thermal contact resistance and its reduction mechanism.

PubMed

Liu, Donghuan; Zhang, Jing

2018-01-01

High-temperature thermal contact resistance (TCR) plays an important role in heat-pipe-cooled thermal protection structures due to the existence of contact interface between the embedded heat pipe and the heat resistive structure, and the reduction mechanism of thermal contact resistance is of special interests in the design of such structures. The present paper proposed a finite element model of the high-temperature thermal contact resistance based on the multi-point contact model with the consideration of temperature-dependent material properties, heat radiation through the cavities at the interface and the effect of thermal interface material (TIM), and the geometry parameters of the finite element model are determined by simple surface roughness test and experimental data fitting. The experimental results of high-temperature thermal contact resistance between superalloy GH600 and C/C composite material are employed to validate the present finite element model. The effect of the crucial parameters on the thermal contact resistance with and without TIM are also investigated with the proposed finite element model.

Bolt clampup relaxation in a graphite/epoxy laminate

NASA Technical Reports Server (NTRS)

Shivakumar, K. N.; Crews, J. H., Jr.

1982-01-01

A simple bolted joint was analyzed to calculate bolt clampup relaxation for a graphite/epoxy (T300/5208) laminate. A viscoelastic finite element analysis of a double-lap joint with a steel bolt was conducted. Clampup forces were calculated for various steady-state temperature-moisture conditions using a 20-year exposure duration. The finite element analysis predicted that clampup forces relax even for the room-temperature-dry condition. The relaxations were 8, 13, 20, and 30 percent for exposure durations of 1 day, 1 month, 1 year, and 20 years, respectively. As expected, higher temperatures and moisture levels each increased the relaxation rate. The combined viscoelastic effects of steady-state temperature and moisture appeared to be additive. From the finite-element analysis, a simple equation was developed for clampup force relaxation. This generalized equation was used to calculate clampup forces for the same temperature-moisture conditions as used in the finite-element analysis. The two sets of calculated results agreed well.

Numerical simulation of high-temperature thermal contact resistance and its reduction mechanism

PubMed Central

Zhang, Jing

2018-01-01

High-temperature thermal contact resistance (TCR) plays an important role in heat-pipe-cooled thermal protection structures due to the existence of contact interface between the embedded heat pipe and the heat resistive structure, and the reduction mechanism of thermal contact resistance is of special interests in the design of such structures. The present paper proposed a finite element model of the high-temperature thermal contact resistance based on the multi-point contact model with the consideration of temperature-dependent material properties, heat radiation through the cavities at the interface and the effect of thermal interface material (TIM), and the geometry parameters of the finite element model are determined by simple surface roughness test and experimental data fitting. The experimental results of high-temperature thermal contact resistance between superalloy GH600 and C/C composite material are employed to validate the present finite element model. The effect of the crucial parameters on the thermal contact resistance with and without TIM are also investigated with the proposed finite element model. PMID:29547651

Shock-wave properties and high-pressure equations of state of geophysically important materials. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Boslough, M. B.

1983-01-01

Shock wave (Hugoniot), shock temperature, and release data are presented for several geophysically important, refractory materials. A sensitive multichannel optical pyrometer was developed to measure shock temperatures (2500 to 5600 K at pressures from 48 to 117 GPa) in anorthite (CaAl2Si2O8) glass. Shock temperatures of 3750 to 6000 K at pressures from 140 to 182 GPa were measured in calcium oxide (CaO). Temperature data were used to constrain the energetics of the B1-B2 phase transition at 70 GPa in CaO, and to construct a finite strain equation of state for CaO consistent with previous Hugoniot data. The CaO equation of state was used with equation of state parameters of other oxides to construct a theoretical mixed oxide Hugoniot of anorthite, which is in agreement with new Hugoniot data above about 50 GPa, determined using experimental techniques developed. The mixed oxide model, however, overestimates the shock temperatures, and does not accurately predict measured release paths.

Temperature behaviour of the average size of nanoparticle lattices co-deposited with an amorphous matrix. Analysis of Ge + Al2O3 and Ni + Al2O3 thin films

NASA Astrophysics Data System (ADS)

Mezzasalma, Stefano A.; Car, Tihomir; Nekić, Nikolina; Jerčinović, Marko; Buljan, Maja

2017-11-01

We theoretically interpret the thermal behaviour of the average radius versus substrate temperature of regular quantum dot/nanocluster arrays formed by sputtering semiconductor/metal atoms with oxide molecules. The analysis relies on a continuum theory for amorphous films with given surface quantities, perturbed by a nanoparticle lattice. An account of the basic thermodynamic contributions is given in terms of force-flux phenomenological coefficients of each phase (Ge, Ni, Al2O3). Average radii turn out to be expressible by a characteristic length scale and a dimensionless parameter, which mainly depend upon temperature through diffusion lengths, film pressures and finite-size corrections to interfacial tensions. The numerical agreement is good in both Ge (4 % ) and Ni (15.4 % ) lattices grown at temperatures ≤slant 800 K, despite the lower temperature behaviour of quantum dots seeming to suggest further driving forces taking part in such processes.

Floating stacking faults on the (111) surface of FCC metals: a finite-temperature first-principles study

NASA Astrophysics Data System (ADS)

Rechtsman, Mikael; de Gironcoli, Stefano; Ceder, Gerbrand; Marzari, Nicola

2003-03-01

The (111) surfaces of FCC metals can develop anomalous thermal expansion properties at high temperatures (e.g. for the case of Ag(111)), and display floating stacking faults during homoepitaxial growth in the presence of surfactants. Inspired by the results of high-temperature ensemble-DFT molecular dynamics simulations, we investigate here the relative stability of FCC and HCP stacking in simple and transition metals (Al, Ag, Zn), searching for a structural phase transition taking place at the surface layer in the high-temperature regime. We use a combination of total-energy structural relaxations and linear-response perturbation theory to determine the surface phonon dispersions, and then the relative free energies in the quasi-harmonic approximation. Our results in Al show that the vibrational entropy strongly favors HCP stacking, substantially offsetting the energetic cost of the stacking fault that becomes favored close to the melting temperature. Besides its fundamental interest, HCP phonon softening is relevant in determining the relative stability of small islands during homoeptiaxial growth.

Finite-volume scheme for anisotropic diffusion

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

Es, Bram van, E-mail: bramiozo@gmail.com; FOM Institute DIFFER, Dutch Institute for Fundamental Energy Research, The Netherlands"1; Koren, Barry

In this paper, we apply a special finite-volume scheme, limited to smooth temperature distributions and Cartesian grids, to test the importance of connectivity of the finite volumes. The area of application is nuclear fusion plasma with field line aligned temperature gradients and extreme anisotropy. We apply the scheme to the anisotropic heat-conduction equation, and compare its results with those of existing finite-volume schemes for anisotropic diffusion. Also, we introduce a general model adaptation of the steady diffusion equation for extremely anisotropic diffusion problems with closed field lines.

Mathematical modeling of heat transfer problems in the permafrost

NASA Astrophysics Data System (ADS)

Gornov, V. F.; Stepanov, S. P.; Vasilyeva, M. V.; Vasilyev, V. I.

2014-11-01

In this work we present results of numerical simulation of three-dimensional temperature fields in soils for various applied problems: the railway line in the conditions of permafrost for different geometries, the horizontal tunnel underground storage and greenhouses of various designs in the Far North. Mathematical model of the process is described by a nonstationary heat equation with phase transitions of pore water. The numerical realization of the problem is based on the finite element method using a library of scientific computing FEniCS. For numerical calculations we use high-performance computing systems.

Air Vehicle Integration and Technology Research (AVIATR). Task Order 0023: Predictive Capability for Hypersonic Structural Response and Life Prediction: Phase 2 - Detailed Design of Hypersonic Cruise Vehicle Hot-Structure

DTIC Science & Technology

2012-02-01

x Approved for public release; distribution unlimited. I-DEAS/ TMG Thermal analysis software IR Initial Review ITAR International Traffic in Arms...the finite element code I- DEAS/ TMG . A mesh refinement study was conducted on the first panel to determine the mesh density required to accurately...ng neer ng, pera ons ec no ogy oe ng esearc ec no ogy • heat transfer analysis conducted with I-DEAS/ TMG exercises mapping of temperatures to

Final Technical Report Grant No. DE-FG02-97ER45653 Lance E. De Long, Principal Investigator, University of Kentucky Period of Performance: 09/01/97 to 05/14/15

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

De Long, Lance Eric

Prior to 1997, the PI had studied the unusual upper critical magnetic field phase boundaries of several novel or exotic types of superconductors, including charge density wave materials such as NbSe 2, organic superconductors such as κ-(ET) 2Cu[N(CN) 2]Br, high-temperature oxide superconductors such as (Ba,K)BiO 3 and the cuprates, heavy fermion superconductors such as U 6Fe, UBe 13, URu 2Si 2 and UPt 3, and re-entrant Kondo alloys such as (La,Ce)Al 2 and ferromagnetic superconductors such as ErRh 4B 4. Most of these materials exhibited marked positive or negative curvature of H C2(T) which could not be explained by traditionalmore » pair-breaking models. It became clear that many of these materials had very short coherence lengths that made quantized vortices highly mobile (depinned) near the phase boundary, and the fundamental, equilibrium H C2(T) difficult to measure using finite field or current drives. These problems made the underlying physics obscure, and led to erroneous interpretations of experimental data in terms of models of exotic superconducting pairing mechanisms. Around 1995, these issues led the PI to take advantage of modern electron beam lithography techniques for patterning superconducting and ferromagnetic thin films on the nanoscale. Primarily due to strong magnetic shape anisotropy effects, EBL patterning has led to enhanced control of the spatial distribution and dynamics of topological defects such as domain walls and magnetic vortices, which can create serious energy dissipation and other limitations for modern devices. Moreover, finite size and interface effects also strongly alter phase transition temperatures and phase boundaries of superconducting and magnetic films, as well as introduce barriers to equilibration, enhanced fluctuations and alter magnetic relaxation. Geometrical frustration and spin ice behavior can also be systematically controlled in patterned film media. Film patterning thus provides an excellent tool for conducting highly-controlled, fundamental studies of cooperative phases and interactions in artificially structured condensed matter.« less

Floquet Engineering in Quantum Chains

NASA Astrophysics Data System (ADS)

Kennes, D. M.; de la Torre, A.; Ron, A.; Hsieh, D.; Millis, A. J.

2018-03-01

We consider a one-dimensional interacting spinless fermion model, which displays the well-known Luttinger liquid (LL) to charge density wave (CDW) transition as a function of the ratio between the strength of the interaction U and the hopping J . We subject this system to a spatially uniform drive which is ramped up over a finite time interval and becomes time periodic in the long-time limit. We show that by using a density matrix renormalization group approach formulated for infinite system sizes, we can access the large-time limit even when the drive induces finite heating. When both the initial and long-time states are in the gapless (LL) phase, the final state has power-law correlations for all ramp speeds. However, when the initial and final state are gapped (CDW phase), we find a pseudothermal state with an effective temperature that depends on the ramp rate, both for the Magnus regime in which the drive frequency is very large compared to other scales in the system and in the opposite limit where the drive frequency is less than the gap. Remarkably, quantum defects (instantons) appear when the drive tunes the system through the quantum critical point, in a realization of the Kibble-Zurek mechanism.

Microphysics of liquid complex plasmas in equilibrium and non-equilibrium systems

NASA Astrophysics Data System (ADS)

Piel, Alexander; Block, Dietmar; Melzer, André; Mulsow, Matthias; Schablinski, Jan; Schella, André; Wieben, Frank; Wilms, Jochen

2018-05-01

The dynamic evolution of the microscopic structure of solid and liquid phases of complex plasmas is studied experimentally and by means of molecular dynamics (MD) simulations. In small finite systems, the cooperative motion can be described in terms of discrete modes. These modes are studied with different experimental approaches. Using diffuse scattered laser light, applying laser tweezer forces to individual particles, and periodic laser pulses, the excitation of modes is investigated. The instantaneous normal mode analysis of experimental data from two-dimensional liquid clusters gives access to the local dynamics of the liquid phase. Our investigations shed light on the role of compressional and shear modes as well as the determination of diffusion constants and melting temperatures in finite systems. Special attention is paid to hydrodynamic situations with a stationary inhomogeneous dust flow. MD simulations allow to study the collective motion in the shell of nearest neighbors, which can be linked to smooth and sudden changes of the macroscopic flow. Finally, the observed micro-motion in all situations above allows to shed light on the preference of shear-like over compressional motion in terms of a minimized potential energy and a dynamic incompressibility.

Quantum incommensurate skyrmion crystals and commensurate to in-commensurate transitions in cold atoms and materials with spin-orbit couplings in a Zeeman field

NASA Astrophysics Data System (ADS)

Sun, Fadi; Ye, Jinwu; Liu, Wu-Ming

2017-08-01

In this work, we study strongly interacting spinor atoms in a lattice subject to a two dimensional (2d) anisotropic Rashba type of spin orbital coupling (SOC) and an Zeeman field. We find the interplay between the Zeeman field and the SOC provides a new platform to host rich and novel classes of quantum commensurate and in-commensurate phases, excitations and phase transitions. These commensurate phases include two collinear states at low and high Zeeman field, two co-planar canted states at mirror reflected SOC parameters respectively. Most importantly, there are non-coplanar incommensurate Skyrmion (IC-SkX) crystal phases surrounded by the four commensurate phases. New excitation spectra above all the five phases, especially on the IC-SKX phase are computed. Three different classes of quantum commensurate to in-commensurate transitions from the IC-SKX to its four neighboring commensurate phases are identified. Finite temperature behaviors and transitions are discussed. The critical temperatures of all the phases can be raised above that reachable by current cold atom cooling techniques simply by tuning the number of atoms N per site. In view of recent impressive experimental advances in generating 2d SOC for cold atoms in optical lattices, these new many-body phenomena can be explored in the current and near future cold atom experiments. Applications to various materials such as MnSi, {Fe}}0.5 {Co}}0.5Si, especially the complex incommensurate magnetic ordering in Li2IrO3 are given.

Thermo-mechanically coupled fracture analysis of shape memory alloys using the extended finite element method

NASA Astrophysics Data System (ADS)

Hatefi Ardakani, S.; Ahmadian, H.; Mohammadi, S.

2015-04-01

In this paper, the extended finite element method is used for fracture analysis of shape memory alloys for both cases of super elastic and shape memory effects. Heat generation during the forward and reverse phase transformations can lead to temperature variation in the material because of strong thermo-mechanical coupling, which significantly influences the SMA mechanical behavior. First, the stationary crack mode is studied and the effects of loading rate on material behavior in the crack tip are examined. Then, the crack propagation analysis is performed in the presence of an initial crack by adopting a weighted averaging criterion, where the direction of crack propagation is determined by weighted averaging of effective stresses at all the integration points in the vicinity of the crack tip. Finally, several numerical examples are analyzed and the obtained results are compared with the available reference results.

Fiber pushout test: A three-dimensional finite element computational simulation

NASA Technical Reports Server (NTRS)

Mital, Subodh K.; Chamis, Christos C.

1990-01-01

A fiber pushthrough process was computationally simulated using three-dimensional finite element method. The interface material is replaced by an anisotropic material with greatly reduced shear modulus in order to simulate the fiber pushthrough process using a linear analysis. Such a procedure is easily implemented and is computationally very effective. It can be used to predict fiber pushthrough load for a composite system at any temperature. The average interface shear strength obtained from pushthrough load can easily be separated into its two components: one that comes from frictional stresses and the other that comes from chemical adhesion between fiber and the matrix and mechanical interlocking that develops due to shrinkage of the composite because of phase change during the processing. Step-by-step procedures are described to perform the computational simulation, to establish bounds on interfacial bond strength and to interpret interfacial bond quality.

A molecular dynamics study on thin film liquid boiling characteristics under rapid linear boundary heating: Effect of liquid film thickness

NASA Astrophysics Data System (ADS)

Rabbi, Kazi Fazle; Tamim, Saiful Islam; Faisal, A. H. M.; Mukut, K. M.; Hasan, Mohammad Nasim

2017-06-01

This study is a molecular dynamics investigation of phase change phenomena i.e. boiling of thin liquid films subjected to rapid linear heating at the boundary. The purpose of this study is to understand the phase change heat transfer phenomena at nano scale level. In the simulation, a thin film of liquid argon over a platinum surface has been considered. The simulation domain herein is a three-phase system consisting of liquid and vapor argon atoms placed over a platinum wall. Initially the whole system is brought to an equilibrium state at 90 K and then the temperature of the bottom wall is increased to a higher temperature (250K) within a finite time interval. Four different liquid argon film thicknesses have been considered (3 nm, 4 nm, 5 nm and 6 nm) in this study. The boundary heating rate (40×109 K/s) is kept constant in all these cases. Variation in system temperature, pressure, net evaporation number, spatial number density of the argon region with time for different film thickness have been demonstrated and analyzed. The present study indicates that the pattern of phase transition may be significantly different (i.e. evaporation or explosive boiling) depending on the liquid film thickness. Among the four cases considered in the present study, explosive boiling has been observed only for the liquid films of 5nm and 6nm thickness, while for the other cases, evaporation take place.

Lattice vibrations in the Frenkel-Kontorova model. I. Phonon dispersion, number density, and energy

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

Meng, Qingping; Wu, Lijun; Welch, David O.

2015-06-17

We studied the lattice vibrations of two inter-penetrating atomic sublattices via the Frenkel-Kontorova (FK) model of a linear chain of harmonically interacting atoms subjected to an on-site potential, using the technique of thermodynamic Green's functions based on quantum field-theoretical methods. General expressions were deduced for the phonon frequency-wave-vector dispersion relations, number density, and energy of the FK model system. In addition, as the application of the theory, we investigated in detail cases of linear chains with various periods of the on-site potential of the FK model. Some unusual but interesting features for different amplitudes of the on-site potential of themore » FK model are discussed. In the commensurate structure, the phonon spectrum always starts at a finite frequency, and the gaps of the spectrum are true ones with a zero density of modes. In the incommensurate structure, the phonon spectrum starts from zero frequency, but at a non-zero wave vector; there are some modes inside these gap regions, but their density is very low. In our approximation, the energy of a higher-order commensurate state of the one-dimensional system at a finite temperature may become indefinitely close to the energy of an incommensurate state. This finding implies that the higher-order incommensurate-commensurate transitions are continuous ones and that the phase transition may exhibit a “devil's staircase” behavior at a finite temperature.« less

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.

Numerical solution of non-linear dual-phase-lag bioheat transfer equation within skin tissues.

PubMed

Kumar, Dinesh; Kumar, P; Rai, K N

2017-11-01

This paper deals with numerical modeling and simulation of heat transfer in skin tissues using non-linear dual-phase-lag (DPL) bioheat transfer model under periodic heat flux boundary condition. The blood perfusion is assumed temperature-dependent which results in non-linear DPL bioheat transfer model in order to predict more accurate results. A numerical method of line which is based on finite difference and Runge-Kutta (4,5) schemes, is used to solve the present non-linear problem. Under specific case, the exact solution has been obtained and compared with the present numerical scheme, and we found that those are in good agreement. A comparison based on model selection criterion (AIC) has been made among non-linear DPL models when the variation of blood perfusion rate with temperature is of constant, linear and exponential type with the experimental data and it has been found that non-linear DPL model with exponential variation of blood perfusion rate is closest to the experimental data. In addition, it is found that due to absence of phase-lag phenomena in Pennes bioheat transfer model, it achieves steady state more quickly and always predict higher temperature than thermal and DPL non-linear models. The effect of coefficient of blood perfusion rate, dimensionless heating frequency and Kirchoff number on dimensionless temperature distribution has also been analyzed. The whole analysis is presented in dimensionless form. Copyright © 2017 Elsevier Inc. All rights reserved.

Efficient and robust compositional two-phase reservoir simulation in fractured media

NASA Astrophysics Data System (ADS)

Zidane, A.; Firoozabadi, A.

2015-12-01

Compositional and compressible two-phase flow in fractured media has wide applications including CO2 injection. Accurate simulations are currently based on the discrete fracture approach using the cross-flow equilibrium model. In this approach the fractures and a small part of the matrix blocks are combined to form a grid cell. The major drawback is low computational efficiency. In this work we use the discrete-fracture approach to model the fractures where the fracture entities are described explicitly in the computational domain. We use the concept of cross-flow equilibrium in the fractures (FCFE). This allows using large matrix elements in the neighborhood of the fractures. We solve the fracture transport equations implicitly to overcome the Courant-Freidricks-Levy (CFL) condition in the small fracture elements. Our implicit approach is based on calculation of the derivative of the molar concentration of component i in phase (cαi ) with respect to the total molar concentration (ci ) at constant volume V and temperature T. This contributes to significant speed up of the code. The hybrid mixed finite element method (MFE) is used to solve for the velocity in both the matrix and the fractures coupled with the discontinuous Galerkin (DG) method to solve the species transport equations in the matrix, and a finite volume (FV) discretization in the fractures. In large scale problems the proposed approach is orders of magnitude faster than the existing models.

Two-dimensional model of a Space Station Freedom thermal energy storage canister

NASA Astrophysics Data System (ADS)

Kerslake, Thomas W.; Ibrahim, Mounir B.

1990-08-01

The Solar Dynamic Power Module being developed for Space Station Freedom uses a eutectic mixture of LiF-CaF2 phase change salt contained in toroidal canisters for thermal energy storage. Results are presented from heat transfer analyses of the phase change salt containment canister. A 2-D, axisymmetric finite difference computer program which models the canister walls, salt, void, and heat engine working fluid coolant was developed. Analyses included effects of conduction in canister walls and solid salt, conduction and free convection in liquid salt, conduction and radiation across salt vapor filled void regions and forced convection in the heat engine working fluid. Void shape, location, growth or shrinkage (due to density difference between the solid and liquid salt phases) were prescribed based on engineering judgement. The salt phase change process was modeled using the enthalpy method. Discussion of results focuses on the role of free-convection in the liquid salt on canister heat transfer performance. This role is shown to be important for interpreting the relationship between ground based canister performance (in l-g) and expected on-orbit performance (in micro-g). Attention is also focused on the influence of void heat transfer on canister wall temperature distributions. The large thermal resistance of void regions is shown to accentuate canister hot spots and temperature gradients.

Two-dimensional model of a Space Station Freedom thermal energy storage canister

NASA Astrophysics Data System (ADS)

Kerslake, Thomas W.; Ibrahim, Mounir B.

The Solar Dynamic Power Module being developed for Space Station Freedom uses a eutectic mixture of LiF-CaF2 phase change salt contained in toroidal canisters for thermal energy storage. Results are presented from heat transfer analyses of the phase-change salt containment canister. A 2-D, axisymmetric finite-difference computer program which models the canister walls, salt, void, and heat engine working fluid coolant was developed. Analyses included effects of conduction in canister walls and solid salt, conduction and free convection in liquid salt, conduction and radiation across salt vapor filled void regions, and forced convection in the heat engine working fluid. Void shape, location, and growth or shrinkage (due to density difference between the solid and liquid salt phases) were prescribed based on engineering judgement. The salt phase change process was modeled using the enthalpy method. Discussion of results focuses on the role of free-convection in the liquid salt on canister heat transfer performance. This role is shown to be important for interpreting the relationship between groundbased canister performance (in 1-g) and expected on-orbit performance (in micro-g). Attention is also focused on the influence of void heat transfer on canister wall temperature distributions. The large thermal resistance of void regions is shown to accentuate canister hot spots and temperature gradients.

Ordered phases in the Holstein-Hubbard model: Interplay of strong Coulomb interaction and electron-phonon coupling

NASA Astrophysics Data System (ADS)

Murakami, Yuta; Werner, Philipp; Tsuji, Naoto; Aoki, Hideo

2013-09-01

We study the Holstein-Hubbard model at half filling to explore ordered phases including superconductivity (SC), antiferromagnetism (AF), and charge order (CO) in situations where the electron-electron and electron-phonon interactions are strong (comparable to the electronic bandwidth). The model is solved in the dynamical mean-field approximation with a continuous-time quantum Monte Carlo impurity solver. We determine the superconducting transition temperature Tc and the SC order parameter and show that the phonon-induced retardation or the strong Coulomb interaction leads to a significant reduction and shift of the Tc dome against the effective electron-electron interaction Ueff given by the Hubbard U reduced by the phonon-mediated attraction in the static limit. This behavior is analyzed by comparison to an effective static model in the polaron representation with a renormalized bandwidth. In addition, we discuss the superconducting gap Δ and 2Δ/Tc to reveal the effect of the retardation and the Coulomb interaction. We also determine the finite-temperature phase diagram including AF and CO. In the moderate-coupling regime, there is a hysteretic region of AF and CO around Ueff=0, while the two phases are separated by a paramagnetic metal in the weak-coupling regime and a paramagnetic insulator in the strong-coupling regime.

Two-dimensional model of a Space Station Freedom thermal energy storage canister

NASA Technical Reports Server (NTRS)

Kerslake, Thomas W.; Ibrahim, Mounir B.

1990-01-01

The Solar Dynamic Power Module being developed for Space Station Freedom uses a eutectic mixture of LiF-CaF2 phase change salt contained in toroidal canisters for thermal energy storage. Results are presented from heat transfer analyses of the phase-change salt containment canister. A 2-D, axisymmetric finite-difference computer program which models the canister walls, salt, void, and heat engine working fluid coolant was developed. Analyses included effects of conduction in canister walls and solid salt, conduction and free convection in liquid salt, conduction and radiation across salt vapor filled void regions, and forced convection in the heat engine working fluid. Void shape, location, and growth or shrinkage (due to density difference between the solid and liquid salt phases) were prescribed based on engineering judgement. The salt phase change process was modeled using the enthalpy method. Discussion of results focuses on the role of free-convection in the liquid salt on canister heat transfer performance. This role is shown to be important for interpreting the relationship between groundbased canister performance (in 1-g) and expected on-orbit performance (in micro-g). Attention is also focused on the influence of void heat transfer on canister wall temperature distributions. The large thermal resistance of void regions is shown to accentuate canister hot spots and temperature gradients.

Numerical investigation of saturated upward flow boiling of water in a vertical tube using VOF model: effect of different boundary conditions

NASA Astrophysics Data System (ADS)

Hasanpour, B.; Irandoost, M. S.; Hassani, M.; Kouhikamali, R.

2018-01-01

In this paper a numerical simulation of upward two-phase flow evaporation in a vertical tube has been studied by considering water as working fluid. To this end, the computational fluid dynamic simulations of this system are performed with heat and mass transfer mechanisms due to energy transfer during the phase change interaction near the heat transfer surface. The volume of fluid model in an available Eulerian-Eulerian approach based on finite volume method is utilized and the mass source term in conservation of mass equation is implemented using a user defined function. The characteristics of water flow boiling such as void fraction and heat transfer coefficient distribution are investigated. The main cause of fluctuations on heat transfer coefficient and volume fraction is velocity increment in the vapor phase rather than the liquid phase. The case study of this research including convective heat transfer coefficient and tube diameter are considered as a parametric study. The operating conditions are considered at high pressure in saturation temperature and the physical properties of water are determined by considering system's inlet temperature and pressure in saturation conditions. Good agreement is achieved between the numerical and the experimental values of heat transfer coefficients.

Two-dimensional model of a Space Station Freedom thermal energy storage canister

NASA Technical Reports Server (NTRS)

Kerslake, Thomas W.; Ibrahim, Mounir B.

1990-01-01

The Solar Dynamic Power Module being developed for Space Station Freedom uses a eutectic mixture of LiF-CaF2 phase change salt contained in toroidal canisters for thermal energy storage. Results are presented from heat transfer analyses of the phase change salt containment canister. A 2-D, axisymmetric finite difference computer program which models the canister walls, salt, void, and heat engine working fluid coolant was developed. Analyses included effects of conduction in canister walls and solid salt, conduction and free convection in liquid salt, conduction and radiation across salt vapor filled void regions and forced convection in the heat engine working fluid. Void shape, location, growth or shrinkage (due to density difference between the solid and liquid salt phases) were prescribed based on engineering judgement. The salt phase change process was modeled using the enthalpy method. Discussion of results focuses on the role of free-convection in the liquid salt on canister heat transfer performance. This role is shown to be important for interpreting the relationship between ground based canister performance (in l-g) and expected on-orbit performance (in micro-g). Attention is also focused on the influence of void heat transfer on canister wall temperature distributions. The large thermal resistance of void regions is shown to accentuate canister hot spots and temperature gradients.

Numerical investigation of saturated upward flow boiling of water in a vertical tube using VOF model: effect of different boundary conditions

NASA Astrophysics Data System (ADS)

Hasanpour, B.; Irandoost, M. S.; Hassani, M.; Kouhikamali, R.

2018-07-01

In this paper a numerical simulation of upward two-phase flow evaporation in a vertical tube has been studied by considering water as working fluid. To this end, the computational fluid dynamic simulations of this system are performed with heat and mass transfer mechanisms due to energy transfer during the phase change interaction near the heat transfer surface. The volume of fluid model in an available Eulerian-Eulerian approach based on finite volume method is utilized and the mass source term in conservation of mass equation is implemented using a user defined function. The characteristics of water flow boiling such as void fraction and heat transfer coefficient distribution are investigated. The main cause of fluctuations on heat transfer coefficient and volume fraction is velocity increment in the vapor phase rather than the liquid phase. The case study of this research including convective heat transfer coefficient and tube diameter are considered as a parametric study. The operating conditions are considered at high pressure in saturation temperature and the physical properties of water are determined by considering system's inlet temperature and pressure in saturation conditions. Good agreement is achieved between the numerical and the experimental values of heat transfer coefficients.

Numerical renormalization group method for entanglement negativity at finite temperature

NASA Astrophysics Data System (ADS)

Shim, Jeongmin; Sim, H.-S.; Lee, Seung-Sup B.

2018-04-01

We develop a numerical method to compute the negativity, an entanglement measure for mixed states, between the impurity and the bath in quantum impurity systems at finite temperature. We construct a thermal density matrix by using the numerical renormalization group (NRG), and evaluate the negativity by implementing the NRG approximation that reduces computational cost exponentially. We apply the method to the single-impurity Kondo model and the single-impurity Anderson model. In the Kondo model, the negativity exhibits a power-law scaling at temperature much lower than the Kondo temperature and a sudden death at high temperature. In the Anderson model, the charge fluctuation of the impurity contributes to the negativity even at zero temperature when the on-site Coulomb repulsion of the impurity is finite, while at low temperature the negativity between the impurity spin and the bath exhibits the same power-law scaling behavior as in the Kondo model.

Finite Element Simulation of Solid Rocket Booster Separation Motors During Motor Firing

NASA Technical Reports Server (NTRS)

Yu. Weiping; Crane, Debora J.

2007-01-01

One of the toughest challenges facing Solid Rocket Booster (SRB) engineers is to ensure that any design changes made to the Shuttle-Derived Booster Separation Motors (BSM) for future space exploration vehicles is able to withstand the increasingly hostile motor firing environment without cracking its critical component - the graphite throat. This paper presents a critical analysis methodology and techniques for assessing effects of BSM design changes with great accuracy and precision. For current Space Shuttle operation, the motor firing occurs at SRB separation - approximately 125 seconds after Shuttle launch at an altitude of about 28 miles. The motor operation event lasts about two seconds, however, the surface temperature of the graphite throat increases approximately 3400 F in less than one second with a corresponding increase in surface pressure of approximately 2200 pounds per square inch (psi) in less than one-tenth of a second. To capture this process fully and accurately, a two-phase sequentially coupled thermal-mechanical finite element approach was developed. This method allows the time- and location-dependent pressure fields to interact with the spatial-temporal thermal fields throughout the operation. The material properties of graphite throat are orthotropic and temperature-dependent. The analysis involves preload and multiple body contacts.

Counting states and the Hadron Resonance Gas: Does X(3872) count?

NASA Astrophysics Data System (ADS)

Ortega, Pablo G.; Entem, David R.; Fernández, Francisco; Ruiz Arriola, Enrique

2018-06-01

We analyze how the renowned X(3872), a weakly bound state right below the DDbar* threshold, should effectively be included in a hadronic representation of the QCD partition function. This can be decided by analyzing the DDbar* scattering phase-shifts in the JPC =1++ channel and their contribution to the level density in the continuum from which the abundance in a hot medium can be determined. We show that in a purely molecular picture the bound state contribution cancels the continuum providing a vanishing occupation number density at finite temperature and the X (3872) does not count below the Quark-Gluon Plasma crossover happening at T ∼ 150 MeV. In contrast, within a coupled-channels approach, for a non vanishing c c bar content the cancellation does not occur due to the onset of the X (3940) which effectively counts as an elementary particle for temperatures above T ≳ 250 MeV. Thus, a direct inclusion of the X (3872) in the Hadron Resonance Gas is not justified. We also estimate the role of this cancellation in X(3872) production in heavy-ion collision experiments in terms of the corresponding pT distribution due to a finite energy resolution.

Radial segregation induced by natural convection and melt/solid interface shape in vertical Bridgman growth

NASA Technical Reports Server (NTRS)

Chang, C. J.; Brown, R. A.

1983-01-01

The roles of natural convection in the melt and the shape of the melt/solid interface on radial dopant segregation are analyzed for a prototype of vertical Bridgman crystal growth system by finite element methods that solve simultaneously for the velocity field in the melt, the shape of the solidification isotherm, and the temperature distribution in both phases. Results are presented for crystal and melt with thermophysical properties similar to those of gallium-doped germanium in Bridgman configurations with melt below (thermally destabilizing) and above (stabilizing) the crystal. Steady axisymmetric flow are classified according to Rayleigh number as either being nearly the growth velocity, having a weak cellular structure or having large amplitude cellular convention. The flows in the two Bridgman configurations are driven by different temperature gradients and are in opposite directions. Finite element calculations for the transport of a dilute dopant by these flow fields reveal radial segregation levels as large as sixty percent of the mean concentration. Segregation is found most severe at an intermediate value of Rayleigh number above which the dopant distribution along the interface levels as the intensity of the flow increases.

Application of finite inverse gas chromatography in hypromellose acetate succinate-water-acetone systems.

PubMed

Chiu, Sheng-Wei; Sturm, Derek R; Moser, Justin D; Danner, Ronald P

2016-09-30

A modification of a GC was developed to investigate both infinitely dilute and finite concentrations of solvents in polymers. Thermodynamic properties of hypromellose acetate succinate (HPMCAS-L)-acetone-water systems are important for the optimization of spray-drying processes used in pharmaceutical manufacturing of solid dispersion formulations. These properties, at temperatures below the glass transition temperature, were investigated using capillary column inverse gas chromatography (CCIGC). Water was much less soluble in the HPMCAS-L than acetone. Experiments were also conducted at infinitely dilute concentrations of one of the solvents in HPMCAS-L that was already saturated with the other solvent. Overall the partitioning of the water was not significantly affected by the presence of either water or acetone in the polymer. The acetone partition coefficient decreased as either acetone or water was added to the HPMCAS-L. A representation of the HPMCAS-L structure in terms of UNIFAC groups has been developed. With these groups, the UNIFAC-vdw-FV model did a reasonable job of predicting the phase equilibria in the binary and ternary systems. The Flory-Huggins correlation with fitted interaction parameters represented the data well. Copyright © 2016 Elsevier B.V. All rights reserved.

Finite Correlation Length Implies Efficient Preparation of Quantum Thermal States

NASA Astrophysics Data System (ADS)

Brandão, Fernando G. S. L.; Kastoryano, Michael J.

2018-05-01

Preparing quantum thermal states on a quantum computer is in general a difficult task. We provide a procedure to prepare a thermal state on a quantum computer with a logarithmic depth circuit of local quantum channels assuming that the thermal state correlations satisfy the following two properties: (i) the correlations between two regions are exponentially decaying in the distance between the regions, and (ii) the thermal state is an approximate Markov state for shielded regions. We require both properties to hold for the thermal state of the Hamiltonian on any induced subgraph of the original lattice. Assumption (ii) is satisfied for all commuting Gibbs states, while assumption (i) is satisfied for every model above a critical temperature. Both assumptions are satisfied in one spatial dimension. Moreover, both assumptions are expected to hold above the thermal phase transition for models without any topological order at finite temperature. As a building block, we show that exponential decay of correlation (for thermal states of Hamiltonians on all induced subgraphs) is sufficient to efficiently estimate the expectation value of a local observable. Our proof uses quantum belief propagation, a recent strengthening of strong sub-additivity, and naturally breaks down for states with topological order.

Spreading of correlations in the XXZ chain at finite temperatures

NASA Astrophysics Data System (ADS)

Bonnes, Lars; Läuchli, Andreas

2014-03-01

In a quantum quench, for instance by abruptly changing the interaction parameter in a spin chain, correlations can spread across the system but have to obey a speed limit set by the Lieb-Robinson bound. This results into a causal structure where the propagation front resembles a light-cone. One can ask how fast a correlation front actually propagates and how its velocity depends on the nature of the quench. This question is addressed by performing global quenches in the XXZ chain initially prepared in a finite-temperature state using minimally entangled typical thermal states (METTS). We provide numerical evidence that the spreading velocity of the spin correlation functions for the quench into the gapless phase is solely determined by the value of the final interaction and the amount of excess energy of the system. This is quite surprising as the XXZ model is integrable and its dynamics is constrained by a large amount of conserved quantities. In particular, the spreading velocity seems to interpolate linearly from a universal value at T = ∞ to the spin wave velocity of the final Hamiltonian in the limit of zero excess energy for Δfinal > 0 .

Investigation of crystalline morphology in poly (ether ether ketone) using dielectric relaxation spectroscopy

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

Kalika, D.S.; Krishnaswamy, R.K.

1993-12-31

The relaxation behavior of poly (ether ether ketone) [PEEK] has been investigated using dielectric relaxation spectroscopy; the glass-rubber ({alpha}) relaxation and a sub-glass ({beta}) relaxation were examined for the amorphous material and both cold-crystallized and melt-crystallized specimens. Analysis of the data using the Cole-Cole modification of the Debye equation allowed determination of the dielectric relaxation strength and relaxation broadening parameter for both transitions as a function of material crystallization history. The crystallized specimens displayed a positive offset in isochronal loss temperature for both the {alpha} and {beta} relaxations, with the {alpha} relaxation broadened significantly. The measured dipolar response was interpretedmore » using a three-phase morphological model encompassing a crystalline phase, a mobile amorphous phase, and a rigid amorphous phase. Determination of phase fractions based on dipolar mobilization across the glass-rubber relaxation revealed a finite rigid amorphous phase fraction for both the cold-crystallized specimens which was relatively insensitive to thermal history and degree of crystallinity (W{sub RAP}40.20).« less

Predictions of thermal buckling strengths of hypersonic aircraft sandwich panels using minimum potential energy and finite element methods

NASA Technical Reports Server (NTRS)

Ko, William L.

1995-01-01

Thermal buckling characteristics of hypersonic aircraft sandwich panels of various aspect ratios were investigated. The panel is fastened at its four edges to the substructures under four different edge conditions and is subjected to uniform temperature loading. Minimum potential energy theory and finite element methods were used to calculate the panel buckling temperatures. The two methods gave fairly close buckling temperatures. However, the finite element method gave slightly lower buckling temperatures than those given by the minimum potential energy theory. The reasons for this slight discrepancy in eigensolutions are discussed in detail. In addition, the effect of eigenshifting on the eigenvalue convergence rate is discussed.

TOPAZ2D heat transfer code users manual and thermal property data base

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

Shapiro, A.B.; Edwards, A.L.

1990-05-01

TOPAZ2D is a two dimensional implicit finite element computer code for heat transfer analysis. This user's manual provides information on the structure of a TOPAZ2D input file. Also included is a material thermal property data base. This manual is supplemented with The TOPAZ2D Theoretical Manual and the TOPAZ2D Verification Manual. TOPAZ2D has been implemented on the CRAY, SUN, and VAX computers. TOPAZ2D can be used to solve for the steady state or transient temperature field on two dimensional planar or axisymmetric geometries. Material properties may be temperature dependent and either isotropic or orthotropic. A variety of time and temperature dependentmore » boundary conditions can be specified including temperature, flux, convection, and radiation. Time or temperature dependent internal heat generation can be defined locally be element or globally by material. TOPAZ2D can solve problems of diffuse and specular band radiation in an enclosure coupled with conduction in material surrounding the enclosure. Additional features include thermally controlled reactive chemical mixtures, thermal contact resistance across an interface, bulk fluid flow, phase change, and energy balances. Thermal stresses can be calculated using the solid mechanics code NIKE2D which reads the temperature state data calculated by TOPAZ2D. A three dimensional version of the code, TOPAZ3D is available. The material thermal property data base, Chapter 4, included in this manual was originally published in 1969 by Art Edwards for use with his TRUMP finite difference heat transfer code. The format of the data has been altered to be compatible with TOPAZ2D. Bob Bailey is responsible for adding the high explosive thermal property data.« less

Finite element calculations of the time dependent thermal fluxes in the laser-heated diamond anvil cell

NASA Astrophysics Data System (ADS)

Montoya, Javier A.; Goncharov, Alexander F.

2012-06-01

The time-dependent temperature distribution in the laser-heated diamond anvil cell (DAC) is examined using finite element simulations. Calculations are carried out for the practically important case of a surface-absorbing metallic plate (coupler) surrounded by a thermally insulating transparent medium. The time scales of the heat transfer in the DAC cavity are found to be typically on the order of tens of microseconds depending on the geometrical and thermochemical parameters of the constituent materials. The use of much shorter laser pulses (e.g., on the order of tens of nanoseconds) creates sharp radial temperature gradients, which result in a very intense and abrupt axial conductive heat transfer that exceeds the radiative heat transfer by several orders of magnitude in the practically usable temperature range (<12 000 K). In contrast, the use of laser pulses with several μs duration provides sufficiently uniform spatial heating conditions suitable for studying the bulk sample. The effect of the latent heat of melting on the temperature distribution has been examined in the case of iron and hydrogen for both pulsed and continuous laser heating. The observed anomalies in temperature-laser power dependencies cannot be due to latent heat effects only. Finally, we examine the applicability of a modification to the plate geometry Ångström method for measurements of the thermal diffusivity in the DAC. The calculations show substantial effects of the thermochemical parameters of the insulating medium on the amplitude change and phase shift between the surface temperature variations of the front and back of the sample, which makes this method dependent on the precise knowledge of the properties of the medium.

Strong and Electroweak Matter 2004

NASA Astrophysics Data System (ADS)

Eskola, Kari J.; Kainulainen, Kimmo; Kajantie, Keijo; Rummukainen, Kari

RHIC experimental summary: the message from pp, d+Au and Au+Au collisions / M. Calderón de la Barca Sánchez -- Hydrodynamic aspects of relativistic heavy ion collisions at RHIC / P. F. Kolb -- Photon emission in a hot QCD plasma / P. Aurenche -- In search of the saturation scale: intrinsic features of the CGC / H. Weigert -- From leading hadron suppression to jet quenching at RHIC and LHC / U. A. Wiedemann -- Lattice simulations with chemical potential / C. Schmidt -- Mesonic correlators in hot QCD / M. Laine -- Thermalization and plasma instabilities / P. Arnold -- Transport coefficients in hot QCD / G. D. Moore -- Classical fields and heavy ion collisions / T. Lappi -- Progress in nonequilibrium quantum field theory II / J. Berges and J. Serreau -- A general effective theory for dense quark matter / P. T. Reuter, Q. Wang and D. H. Rischke -- Thermal leptogenesis / M. Plümacher -- Cold electroweak Baryogenesis / J. Smit -- Proton-nucleus collisions in the color glass condensate framework / J.-P. Blaizot, F. Gelis and R. Venugopalan -- From classical to quantum saturation in the nuclear wavefunction / D. N. Triantafyllopoulos -- Charge correlations in heavy ion collisions / A. Rajantie -- Whitening of the quark-gluon plasma / S. Mrówczyński -- Progress in anisotropic plasma physics / P. Romatschke and M. Strickland -- Deconfinement and chiral symmetry: competing orders / K. Tuominen -- Relation between the chiral and deconfinement phase transitions / Y. Hatta -- Renormalized Polyakov loops, matrix models and the Gross-Witten point / A. Dumitru and J. T. Lenaghan -- The nature of the soft excitation at the critical end point of QCD / A. Jakovác ... [et al.] -- Thermodynamics of the 1+1-dimensional nonlinear sigma model through next-to-leading order in 1/N / H. J. Warringa -- Light quark meson correlations at high temperature / E. Laemann ... [et al.] -- Charmonia at finite momenta in a deconfined plasma / S. Datta ... [et al.] -- QCD thermodynamics: lattice results confront models / M. D'Elia and M. P. Lombardo -- Singlet free energies of a static quark-antiquark pair / K. Petrov -- Contributions to transport theory from multi-particle interactions and production processes / M. E. Carrington -- Transport coefficients and the 2PI effective action in the large N limit / G. Aarts and J. M. Martinez Resco -- Thermal features far from equilibrium: prethermalization / S. Borsányi -- QCD phase diagram at small Baryon densities from imaginary [symbol]: status report / O. Philipsen and Ph. de Forcrand -- Two loop renormalisation of the magnetic coupling in hot QCD and spatial Wilson loop / P. Giovannangeli -- Thermodynamics of deconfined QCD at small and large chemical potential / A. Ipp -- Evading the infrared problem of thermal QCD / Y. Schroder -- Chiral mesons in hot matter / A. Gómez Nicola, F. J. Llanes-Estrada and J. R. Peláez -- Thermal production of axinos in the early universe / A. Brandenburg and F. D. Steffen -- The 2-PI-1/N approximation applied to tachyonic preheating / A. Tranberg, A. Arrizabalaga and J. Smit -- Nonequilibrium dynamics in scalar hybrid models / J. Baacke and A. Heinen -- Photon mass in inflation and nearly minimal magnetogenesis / T. Prokopec -- Transport equations for chiral fermions to order [symbol] and electroweak Baryogenesis / S. Weinstock, M. G. Schmidt and T. Prokopec -- The gapless 2SC phase / M. Huang and I. A. Shovkovy -- Gapless CFL and its competition with mixed phases / M. Alford, C. Kouvaris and K. Rajagopal -- Transport coefficients in color superconducting quark matter / C. Manuel -- Renormalization and resummation in finite temperature field theories / A. Jakovác and Zs. Szép -- Renormalization and gauge symmetry for 2PI effective actions / U. Reinosa -- Out-of-equilibrium massless Schwinger model / R. F. Alvarez-Estrada -- Selfconsistent calculations of hadrons at finite temperature / C. Beckmann -- Fermion production in classical fields / D. D. Dietrich -- Numerical study of the equation of state for two flavor QCD at non-zero Baryon density / S. Ejiri ... [et al.] -- Phase conversion after a chiral transition: effects from inhomogeneities and finite size / E. S. Fraga -- Coherent Baryogenesis and nonthermal leptogenesis: a comparison / B. Garbrecht, T. Prokopec and M. G. Schmidt -- Two aspects of color superconductivity: gauge independence and neutrality / A. Gerhold -- QCD phase diagram in nonlocal chiral quark models / D. Gómez Dumm -- QCD equation of state and dark matter / M. Hindmarsh and O. Philipsen -- Analytical approach to SU(2) Yang-Mills thermodynamics / R. Hofmann -- Free energies of static three quark systems / K. Hübner ... [et al.] -- Color ferromagnetic state of dense quark matter / A. Iwazaki -- Axial currents from CKM matrix CP violation and electroweak Baryogenesis / T. Konstandin -- Dilute monopole gas, and K-tensions in gluodynamics / C. P. Korthals Altes and P. Giovannangeli -- Infrared QCD and the renormalisation group / D. F. Litim ... [et al.] -- Residual confinement in high-temperature Yang-Mills theory / A. Maas ... [et al.] -- Scalar O(N) model at finite temperature - 2PI effective potential in different approximations / J. Baacke and S. Michalski -- Cutoff effects in meson spectral functions / T. Blum and P. Petreczky -- Anomalous specific heat in ultradegenerate QED and QCD / A. Gerhold, A. Ipp and A. Rebhan -- Color-superconducting phases in cold and dense quark matter / A. Schmitt -- Non fermi liquid effects in dense matter and compact star cooling / K. Schwenzer and T. Schäfer -- Prethermalisation and the build-up of the Higgs effect / D. Sexty and A. Patkós -- Vector meson at non-zero Baryon density and zero sound / S. J. Hands and C. G. Strouthos -- Impact of Baryon resonances on the chiral phase transition / D. Zschiesche ... [et al.].

MOFAT: A TWO-DIMENSIONAL FINITE ELEMENT PROGRAM FOR MULTIPHASE FLOW AND MULTICOMPONENT TRANSPORT - PROGRAM DOCUMENTATION AND USER'S GUIDE

EPA Science Inventory

This manual describes a two-dimensional, finite element model for coupled multiphase flow and multicomponent transport in planar or radially symmetric vertical sections. low and transport of three fluid phases, including water, nonaqueous phase liquid (NAPL), and gas are consider...

Thermodynamic theory of intrinsic finite-size effects in PbTiO3 nanocrystals. I. Nanoparticle size-dependent tetragonal phase stability

NASA Astrophysics Data System (ADS)

Akdogan, E. K.; Safari, A.

2007-03-01

We propose a phenomenological intrinsic finite-size effect model for single domain, mechanically free, and surface charge compensated ΔG-P ⃗s-ξ space, which describes the decrease in tetragonal phase stability with decreasing ξ rigorously.

Studies of Entanglement Entropy, and Relativistic Fluids for Thermal Field Theories

NASA Astrophysics Data System (ADS)

Spillane, Michael

In this dissertation we consider physical consequences of adding a finite temperature to quantum field theories. At small length scales entanglement is a critically important feature. It is therefore unsurprising that entanglement entropy and Renyi entropy are useful tools in studying quantum phase transition, and quantum information. In this thesis we consider the corrections to entanglement and Renyi entropies due to addition of a finite temperature. More specifically, we investigate the entanglement entropy of a massive scalar field in 1+1 dimensions at nonzero temperature. In the small mass ( m) and temperature (T) limit, we put upper and lower bounds on the two largest eigenvalues of the covariance matrix used to compute the entanglement entropy. We argue that the entanglement entropy has e-m/T scaling in the limit T << m.. Additionally, we calculate thermal corrections to Renyi entropies for free massless fermions on R x S d-1. By expanding the density matrix in a Boltzmann sum, the problem of finding the Renyi entropies can be mapped to the problem of calculating a two point function on an n-sheeted cover of the sphere. We map the problem on the sphere to a conical region in Euclidean space. By using the method of images, we calculate the two point function and recover the Renyi entropies. At large length scales hydrodynamics is a useful way to study quantum field theories. We review recent interest in the Riemann problem as a method for generating a non-equilibrium steady state. The initial conditions consist of a planar interface between two halves of a system held at different temperatures in a hydrodynamic regime. The resulting fluid flow contains a fixed temperature region with a nonzero flux. We briefly discuss the effects of a conserved charge. Next we discuss deforming the relativistic equations with a nonlinear term and how that deformation affects the temperature and velocity in the region connecting the asymptotic fluids. Finally, we study properties of a non-equilibrium steady state generated when two heat baths are initially in contact with one another. The dynamics of the system in question are governed by holographic duality to a blackhole. We discuss the "phase diagram" associated with the steady state of the dual, dynamical black hole and its relation to the fluid/gravity correspondence.

Micromechanics, Fracture Mechanics and Gas Permeability of Composite Laminates for Cryogenic Storage Systems

NASA Technical Reports Server (NTRS)

Choi, Sukjoo; Sankar, Bhavani; Ebaugh, Newton C.

2005-01-01

A micromechanics method is developed to investigate microcrack propagation in a liquid hydrogen composite tank at cryogenic temperature. The unit cell is modeled using square and hexagonal shapes depends on fiber and matrix layout from microscopic images of composite laminates. Periodic boundary conditions are applied to the unit cell. The temperature dependent properties are taken into account in the analysis. The laminate properties estimated by the micromechanics method are compared with empirical solutions using constituent properties. The micro stresses in the fiber and matrix phases based on boundary conditions in laminate level are calculated to predict the formation of microcracks in the matrix. The method is applied to an actual liquid hydrogen storage system. The analysis predicts micro stresses in the matrix phase are large enough to cause microcracks in the composite. Stress singularity of a transverse crack normal to a ply-interface is investigated to predict the fracture behavior at cryogenic conditions using analytical and finite element analysis. When a transverse crack touches a ply-interface of a composite layer with same fiber orientation, the stress singularity is equal to 1/2. When the transverse crack propagates to a stiffer layer normal to the ply-direction, the singularity becomes less than 1/2 and vice versa. Finite element analysis is performed to predict the fracture toughness of a laminated beam subjected to fracture loads measured by four-point bending tests at room and cryogenic temperatures. As results, the fracture load at cryogenic temperature is significantly lower than that at room temperature. However, when thermal stresses are taken into consideration, for both cases of room and cryogenic temperatures, the difference of the fracture toughness becomes insignificant. The result indicates fracture toughness is a characteristic property, which is independent to temperature changes. The experimental analysis is performed to investigate the effect of cryogenic cycling on permeability for various composite material systems. Textile composites have lower permeability than laminated composites even with increasing number of cryogenic cycle. Nano-particles dispersed in laminated composites do not show improvement on permeability. The optical inspection is performed to investigate the microcrack propagation and void content in laminated composites and compared the microscopic results before and after cryogenic cycling.

Role of electron-phonon coupling in finite-temperature dielectric functions of Au, Ag, and Cu

NASA Astrophysics Data System (ADS)

Xu, Meng; Yang, Jia-Yue; Zhang, Shangyu; Liu, Linhua

2017-09-01

Realistic representation of finite temperature dielectric functions of noble metals is crucial in describing the optical properties of advancing applications in plasmonics and optical metamaterials. However, the atomistic origins of the temperature dependence of noble metals' dielectric functions still lack full explanation. In this paper, we implement electronic structure calculations as well as ellipsometry experiments to study the finite temperature dielectric functions of noble metals Au, Ag, and Cu. Theoretically, the intraband dielectric function is described by the Drude model, of which the important quantity electron lifetime is obtained by considering the electron-phonon, electron-electron, and electron-surface scattering mechanism. The electron-phonon coupling is key to determining the temperature dependence of electron lifetime and intraband dielectric function. For the interband dielectric function, it arises from the electronic interband transition. Due to the limitation of incorporating electron-phonon coupling into the interband transition scheme, the temperature dependence of the interband dielectric function is mainly determined by the thermal expansion effect. Experimentally, variable angle spectroscopic ellipsometry measures the dielectric functions of Au and Ag over the temperature range of 300-700 K and spectral range of 2-20 µm. Those experimental measurements are consistent with theoretical results and thus verify the theoretical models for the finite temperature dielectric function.

Mechanism of a strange metal state near a heavy-fermion quantum critical point

NASA Astrophysics Data System (ADS)

Chang, Yung-Yeh; Paschen, Silke; Chung, Chung-Hou

2018-01-01

Unconventional metallic or strange metal (SM) behavior with non-Fermi liquid (NFL) properties, generic features of heavy-fermion systems near quantum phase transitions, are yet to be understood microscopically. A paradigmatic example is the magnetic field-tuned quantum critical heavy-fermion metal YbRh2Si2 , revealing a possible SM state over a finite range of fields at low temperatures when substituted with Ge. Above a critical field, the SM state gives way to a heavy Fermi liquid with Kondo correlation. The NFL behavior, most notably a linear-in-temperature electrical resistivity and a logarithmic-in-temperature followed by a power-law singularity in the specific heat coefficient at low temperatures, still lacks a definite understanding. We propose the following mechanism as origin of the experimentally observed behavior: a quasi-2 d fluctuating short-ranged resonating-valence-bond spin liquid competing with the Kondo correlation. Applying a field-theoretical renormalization group analysis on an effective field theory beyond a large-N approach to an antiferromagnetic Kondo-Heisenberg model, we identify the critical point and explain remarkably well the SM behavior. Our theory goes beyond the well-established framework of quantum phase transitions and serves as a basis to address open issues in quantum critical heavy-fermion systems.

Attosecond transient absorption instrumentation for thin film materials: Phase transitions, heat dissipation, signal stabilization, timing correction, and rapid sample rotation.

PubMed

Jager, Marieke F; Ott, Christian; Kaplan, Christopher J; Kraus, Peter M; Neumark, Daniel M; Leone, Stephen R

2018-01-01

We present an extreme ultraviolet (XUV) transient absorption apparatus tailored to attosecond and femtosecond measurements on bulk solid-state thin-film samples, specifically when the sample dynamics are sensitive to heating effects. The setup combines methodology for stabilizing sub-femtosecond time-resolution measurements over 48 h and techniques for mitigating heat buildup in temperature-dependent samples. Single-point beam stabilization in pump and probe arms and periodic time-zero reference measurements are described for accurate timing and stabilization. A hollow-shaft motor configuration for rapid sample rotation, raster scanning capability, and additional diagnostics are described for heat mitigation. Heat transfer simulations performed using a finite element analysis allow comparison of sample rotation and traditional raster scanning techniques for 100 Hz pulsed laser measurements on vanadium dioxide, a material that undergoes an insulator-to-metal transition at a modest temperature of 340 K. Experimental results are presented confirming that the vanadium dioxide (VO 2 ) sample cannot cool below its phase transition temperature between laser pulses without rapid rotation, in agreement with the simulations. The findings indicate the stringent conditions required to perform rigorous broadband XUV time-resolved absorption measurements on bulk solid-state samples, particularly those with temperature sensitivity, and elucidate a clear methodology to perform them.

Attosecond transient absorption instrumentation for thin film materials: Phase transitions, heat dissipation, signal stabilization, timing correction, and rapid sample rotation

NASA Astrophysics Data System (ADS)

Jager, Marieke F.; Ott, Christian; Kaplan, Christopher J.; Kraus, Peter M.; Neumark, Daniel M.; Leone, Stephen R.

2018-01-01

We present an extreme ultraviolet (XUV) transient absorption apparatus tailored to attosecond and femtosecond measurements on bulk solid-state thin-film samples, specifically when the sample dynamics are sensitive to heating effects. The setup combines methodology for stabilizing sub-femtosecond time-resolution measurements over 48 h and techniques for mitigating heat buildup in temperature-dependent samples. Single-point beam stabilization in pump and probe arms and periodic time-zero reference measurements are described for accurate timing and stabilization. A hollow-shaft motor configuration for rapid sample rotation, raster scanning capability, and additional diagnostics are described for heat mitigation. Heat transfer simulations performed using a finite element analysis allow comparison of sample rotation and traditional raster scanning techniques for 100 Hz pulsed laser measurements on vanadium dioxide, a material that undergoes an insulator-to-metal transition at a modest temperature of 340 K. Experimental results are presented confirming that the vanadium dioxide (VO2) sample cannot cool below its phase transition temperature between laser pulses without rapid rotation, in agreement with the simulations. The findings indicate the stringent conditions required to perform rigorous broadband XUV time-resolved absorption measurements on bulk solid-state samples, particularly those with temperature sensitivity, and elucidate a clear methodology to perform them.

Three-state Potts model on non-local directed small-world lattices

NASA Astrophysics Data System (ADS)

Ferraz, Carlos Handrey Araujo; Lima, José Luiz Sousa

2017-10-01

In this paper, we study the non-local directed Small-World (NLDSW) disorder effects in the three-state Potts model as a form to capture the essential features shared by real complex systems where non-locality effects play a important role in the behavior of these systems. Using Monte Carlo techniques and finite-size scaling analysis, we estimate the infinite lattice critical temperatures and the leading critical exponents in this model. In particular, we investigate the first- to second-order phase transition crossover when NLDSW links are inserted. A cluster-flip algorithm was used to reduce the critical slowing down effect in our simulations. We find that for a NLDSW disorder densities p

Nuclear spin noise in NMR revisited

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

Ferrand, Guillaume; Luong, Michel; Huber, Gaspard

2015-09-07

The theoretical shapes of nuclear spin-noise spectra in NMR are derived by considering a receiver circuit with finite preamplifier input impedance and a transmission line between the preamplifier and the probe. Using this model, it becomes possible to reproduce all observed experimental features: variation of the NMR resonance linewidth as a function of the transmission line phase, nuclear spin-noise signals appearing as a “bump” or as a “dip” superimposed on the average electronic noise level even for a spin system and probe at the same temperature, pure in-phase Lorentzian spin-noise signals exhibiting non-vanishing frequency shifts. Extensive comparisons to experimental measurementsmore » validate the model predictions, and define the conditions for obtaining pure in-phase Lorentzian-shape nuclear spin noise with a vanishing frequency shift, in other words, the conditions for simultaneously obtaining the spin-noise and frequency-shift tuning optima.« less

Quantum Hall ferromagnets and transport properties of buckled Dirac materials

NASA Astrophysics Data System (ADS)

Luo, Wenchen; Chakraborty, Tapash

2015-10-01

We study the ground states and low-energy excitations of a generic Dirac material with spin-orbit coupling and a buckling structure in the presence of a magnetic field. The ground states can be classified into three types under different conditions: SU(2), easy-plane, and Ising quantum Hall ferromagnets. For the SU(2) and the easy-plane quantum Hall ferromagnets there are goldstone modes in the collective excitations, while all the modes are gapped in an Ising-type ground state. We compare the Ising quantum Hall ferromagnet with that of bilayer graphene and present the domain-wall solution at finite temperatures. We then specify the phase transitions and transport gaps in silicene in Landau levels 0 and 1. The phase diagram depends strongly on the magnetic field and the dielectric constant. We note that there exist triple points in the phase diagrams in Landau level N =1 that could be observed in experiments.

Phase field study of surface-induced melting and solidification from a nanovoid: Effect of dimensionless width of void surface and void size

NASA Astrophysics Data System (ADS)

Basak, Anup; Levitas, Valery I.

2018-05-01

The size effect and the effects of a finite-width surface on barrierless transformations between the solid (S), surface melt (SM), and melt (M) from a spherical nanovoid are studied using a phase field approach. Melting (SM → M and S → M) from the nanovoid occurs at temperatures which are significantly greater than the solid-melt equilibrium temperature θe but well below the critical temperature for solid instability. The relationships between the SM and M temperatures and the ratio of the void surface width and width of the solid-melt interface, Δ ¯ , are found for the nanovoids of different sizes. Below a critical ratio Δ¯ * , the melting occurs via SM and the melting temperature slightly reduces with an increase in Δ ¯ . Both S → SM and SM → M transformations have a jump-like character (excluding the case with the sharp void surface), causing small temperature hysteresis. However, the solid melts without SM for Δ ¯>Δ¯ * , and the melting temperature significantly increases with increasing Δ ¯ . The results for a nanovoid are compared with the melting/solidification of a nanoparticle, for which the melting temperatures, in contrast, are much lower than θe. A linear dependency of the melting temperatures with the inverse of the void radius is shown. The present study shows an unexplored way to control the melting from nanovoids by controlling the void size and the width and energy of the surface.

An interactive graphics system to facilitate finite element structural analysis

NASA Technical Reports Server (NTRS)

Burk, R. C.; Held, F. H.

1973-01-01

The characteristics of an interactive graphics systems to facilitate the finite element method of structural analysis are described. The finite element model analysis consists of three phases: (1) preprocessing (model generation), (2) problem solution, and (3) postprocessing (interpretation of results). The advantages of interactive graphics to finite element structural analysis are defined.

Methods for heat transfer and temperature field analysis of the insulated diesel phase 2 progress report

NASA Technical Reports Server (NTRS)

Morel, T.; Kerlbar, R.; Fort, E. F.; Blumberg, P. N.

1985-01-01

This report describes work done during Phase 2 of a 3 year program aimed at developing a comprehensive heat transfer and thermal analysis methodology for design analysis of insulated diesel engines. The overall program addresses all the key heat transfer issues: (1) spatially and time-resolved convective and radiative in-cylinder heat transfer, (2) steady-state conduction in the overall structure, and (3) cyclical and load/speed temperature transients in the engine structure. During Phase 2, radiation heat transfer model was developed, which accounts for soot formation and burn up. A methodology was developed for carrying out the multi-dimensional finite-element heat conduction calculations within the framework of thermodynamic cycle codes. Studies were carried out using the integrated methodology to address key issues in low heat rejection engines. A wide ranging design analysis matrix was covered, including a variety of insulation strategies, recovery devices and base engine configurations. A single cylinder Cummins engine was installed at Purdue University, and it was brought to a full operational status. The development of instrumentation was continued, concentrating on radiation heat flux detector, total heat flux probe, and accurate pressure-crank angle data acquisition.

Early Earth plume-lid tectonics: A high-resolution 3D numerical modelling approach

NASA Astrophysics Data System (ADS)

Fischer, R.; Gerya, T.

2016-10-01

Geological-geochemical evidence point towards higher mantle potential temperature and a different type of tectonics (global plume-lid tectonics) in the early Earth (>3.2 Ga) compared to the present day (global plate tectonics). In order to investigate tectono-magmatic processes associated with plume-lid tectonics and crustal growth under hotter mantle temperature conditions, we conduct a series of 3D high-resolution magmatic-thermomechanical models with the finite-difference code I3ELVIS. No external plate tectonic forces are applied to isolate 3D effects of various plume-lithosphere and crust-mantle interactions. Results of the numerical experiments show two distinct phases in coupled crust-mantle evolution: (1) a longer (80-100 Myr) and relatively quiet 'growth phase' which is marked by growth of crust and lithosphere, followed by (2) a short (∼20 Myr) and catastrophic 'removal phase', where unstable parts of the crust and mantle lithosphere are removed by eclogitic dripping and later delamination. This modelling suggests that the early Earth plume-lid tectonic regime followed a pattern of episodic growth and removal also called episodic overturn with a periodicity of ∼100 Myr.

Noisy bases in Hilbert space: A new class of thermal coherent states and their properties

NASA Technical Reports Server (NTRS)

Vourdas, A.; Bishop, R. F.

1995-01-01

Coherent mixed states (or thermal coherent states) associated with the displaced harmonic oscillator at finite temperature, are introduced as a 'random' (or 'thermal' or 'noisy') basis in Hilbert space. A resolution of the identity for these states is proved and used to generalize the usual coherent state formalism for the finite temperature case. The Bargmann representation of an operator is introduced and its relation to the P and Q representations is studied. Generalized P and Q representations for the finite temperature case are also considered and several interesting relations among them are derived.

Efficiencies of power plants, quasi-static models and the geometric-mean temperature

NASA Astrophysics Data System (ADS)

Johal, Ramandeep S.

2017-02-01

Observed efficiencies of industrial power plants are often approximated by the square-root formula: 1 - √ T -/ T +, where T +( T -) is the highest (lowest) temperature achieved in the plant. This expression can be derived within finite-time thermodynamics, or, by entropy generation minimization, based on finite rates for the processes. In these analyses, a closely related quantity is the optimal value of the intermediate temperature for the hot stream, given by the geometric-mean value: √ T +/ T -. In this paper, instead of finite-time models, we propose to model the operation of plants by quasi-static work extraction models, with one reservoir (source/sink) as finite, while the other as practically infinite. No simplifying assumption is made on the nature of the finite system. This description is consistent with two model hypotheses, each yielding a specific value of the intermediate temperature, say T 1 and T 2. The lack of additional information on validity of the hypothesis that may be actually realized, motivates to approach the problem as an exercise in inductive inference. Thus we define an expected value of the intermediate temperature as the equally weighted mean: ( T 1 + T 2)/2. It is shown that the expected value is very closely given by the geometric-mean value for almost all of the observed power plants.

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.

Measurements of decreasing lattice thermal conductivity of ferropericlase across the high-spin to mixed-spin state.

NASA Astrophysics Data System (ADS)

Merkel, S.; Langrand, C.; Hilairet, N.; Konopkova, Z.; Andrault, D.

2016-12-01

The thermal conductivity of lower mantle minerals depends on crystal structure and phase, with important implications for the style of convection in the mantle and the heat flow across the core-mantle boundary. In this study, we demonstrate how measurements of temperature in the laser-heated diamond anvil cell (LHDAC) can be used to determine relative changes in thermal conductivity across a pressure-induced phase change. A finite-element 3D heat flow model of the LHDAC is used to simulate experimental conditions. Results from modeling show that the peak temperature in the cell is primarily controlled by the geometry, sample thermal conductivity and heat input due to laser heating. Controlling for geometry, the model can output expected temperature versus laser-power curves for an increase or decrease in thermal conductivity with pressure. The modeled temperature differences indicate that we can experimentally distinguish the sign and magnitude of a thermal conductivity change due to a pressure-induced phase change. We perform a series of experiments to test our models. In one set of experiments, we measure temperature versus laser-power as a function of pressure for the NaCl B1-B2 phase transition, over the pressure range 18 to 54 GPa. A decrease in thermal conductivity across the NaCl B1-B2 phase transition (dκ/dP = -1.6 +/- 0.2 W/(mK GPa)) is needed to explain our measurements. This result is consistent with thermal conductivity measurements of other ionic salts, which undergo the B1-B2 phase transition at much lower pressure. We apply this experiment design to investigate the effect of spin transition on an iron-bearing magnesium oxide sample. In a series of experiments, we measure temperature vs. laser power for (Mg,Fe)O with 24 mol% Fe, loaded in Ne, over a pressure range from 22 to 60 GPa. We observe an increase in thermal conductivity between 22 and 42 GPa. But between 42 and 60 GPa, a pressure range consistent with previously reported mixed-spin state phase of (Mg,Fe)O, we observe a decrease in thermal conductivity. This result suggests that there may be a broad zone, in the depth range of 1000 - 1500 km, of reduced thermal transport properties in the mantle.

Measurements of decreasing lattice thermal conductivity of ferropericlase across the high-spin to mixed-spin state.

NASA Astrophysics Data System (ADS)

McGuire, C. P.; Sawchuk, K. L. S.; Kavner, A.

2017-12-01

The thermal conductivity of lower mantle minerals depends on crystal structure and phase, with important implications for the style of convection in the mantle and the heat flow across the core-mantle boundary. In this study, we demonstrate how measurements of temperature in the laser-heated diamond anvil cell (LHDAC) can be used to determine relative changes in thermal conductivity across a pressure-induced phase change. A finite-element 3D heat flow model of the LHDAC is used to simulate experimental conditions. Results from modeling show that the peak temperature in the cell is primarily controlled by the geometry, sample thermal conductivity and heat input due to laser heating. Controlling for geometry, the model can output expected temperature versus laser-power curves for an increase or decrease in thermal conductivity with pressure. The modeled temperature differences indicate that we can experimentally distinguish the sign and magnitude of a thermal conductivity change due to a pressure-induced phase change. We perform a series of experiments to test our models. In one set of experiments, we measure temperature versus laser-power as a function of pressure for the NaCl B1-B2 phase transition, over the pressure range 18 to 54 GPa. A decrease in thermal conductivity across the NaCl B1-B2 phase transition (dκ/dP = -1.6 +/- 0.2 W/(mK GPa)) is needed to explain our measurements. This result is consistent with thermal conductivity measurements of other ionic salts, which undergo the B1-B2 phase transition at much lower pressure. We apply this experiment design to investigate the effect of spin transition on an iron-bearing magnesium oxide sample. In a series of experiments, we measure temperature vs. laser power for (Mg,Fe)O with 24 mol% Fe, loaded in Ne, over a pressure range from 22 to 60 GPa. We observe an increase in thermal conductivity between 22 and 42 GPa. But between 42 and 60 GPa, a pressure range consistent with previously reported mixed-spin state phase of (Mg,Fe)O, we observe a decrease in thermal conductivity. This result suggests that there may be a broad zone, in the depth range of 1000 - 1500 km, of reduced thermal transport properties in the mantle.

Equilibrium and nonequilibrium properties of Boolean decision problems on scale-free graphs with competing interactions with external biases

NASA Astrophysics Data System (ADS)

Zhu, Zheng; Andresen, Juan Carlos; Janzen, Katharina; Katzgraber, Helmut G.

2013-03-01

We study the equilibrium and nonequilibrium properties of Boolean decision problems with competing interactions on scale-free graphs in a magnetic field. Previous studies at zero field have shown a remarkable equilibrium stability of Boolean variables (Ising spins) with competing interactions (spin glasses) on scale-free networks. When the exponent that describes the power-law decay of the connectivity of the network is strictly larger than 3, the system undergoes a spin-glass transition. However, when the exponent is equal to or less than 3, the glass phase is stable for all temperatures. First we perform finite-temperature Monte Carlo simulations in a field to test the robustness of the spin-glass phase and show, in agreement with analytical calculations, that the system exhibits a de Almeida-Thouless line. Furthermore, we study avalanches in the system at zero temperature to see if the system displays self-organized criticality. This would suggest that damage (avalanches) can spread across the whole system with nonzero probability, i.e., that Boolean decision problems on scale-free networks with competing interactions are fragile when not in thermal equilibrium.

Thouless dephasing and amplitude modulation of Aharonov-Bohm oscillations in mesoscopic InGaAs/InAlAs interferometers

NASA Astrophysics Data System (ADS)

Heremans, J. J.; Ren, S. L.; Zhang, Yao; Gaspe, C. K.; Vijeyaragunathan, S.; Mishima, T. D.; Santos, M. B.

2014-03-01

Aharonov-Bohm oscillations in the low-temperature magnetoresistance of mesoscopic interferometric rings are investigated for their dependence on bias current and temperature, and to explore origins of the observed amplitude modulation in magnetic field. Single-ring interferometers of radius 650 nm and lithographic arm width 300 nm were fabricated on a high-mobility high-density InGaAs/InAlAs heterostructure. The rings show interference oscillations over a wide range of magnetic fields, with amplitudes subject to modulation with applied magnetic field. The quantum phase coherence length is extracted by analysis of the fundamental and higher Fourier components of the oscillations, and by comparative study of the amplitude. The variation of the amplitude with bias current and temperature shows the existence of a critical excitation energy consistent with the Thouless energy for quantum phase smearing. Autocorrelation and Fourier analysis are used to determine the quasi-period of the amplitude modulation, which is found to be consistent with an origin in the magnetic flux threading the finite width of the interferometer arms, changing the mesoscopic realization of the system. Supported by DOE DE-FG02-08ER46532 (VT) and NSF DMR-0520550 (UoO).

Probing deconfinement in a chiral effective model with Polyakov loop at imaginary chemical potential

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

Morita, Kenji; Yukawa Institute for Theoretical Physics, Kyoto University, Kyoto 606-8502; Skokov, Vladimir

2011-10-01

The phase structure of the two-flavor Polyakov-loop extended Nambu-Jona-Lashinio model is explored at finite temperature and imaginary chemical potential with a particular emphasis on the confinement-deconfinement transition. We point out that the confined phase is characterized by a cos3{mu}{sub I}/T dependence of the chiral condensate on the imaginary chemical potential while in the deconfined phase this dependence is given by cos{mu}{sub I}/T and accompanied by a cusp structure induced by the Z(3) transition. We demonstrate that the phase structure of the model strongly depends on the choice of the Polyakov loop potential U. Furthermore, we find that by changing themore » four fermion coupling constant G{sub s}, the location of the critical end point of the deconfinement transition can be moved into the real chemical potential region. We propose a new parameter characterizing the confinement-deconfinement transition.« less

Transparency Parameters from Relativistically Expanding Outflows

NASA Astrophysics Data System (ADS)

Bégué, D.; Iyyani, S.

2014-09-01

In many gamma-ray bursts a distinct blackbody spectral component is present, which is attributed to the emission from the photosphere of a relativistically expanding plasma. The properties of this component (temperature and flux) can be linked to the properties of the outflow and have been presented in the case where there is no sub-photospheric dissipation and the photosphere is in coasting phase. First, we present the derivation of the properties of the outflow for finite winds, including when the photosphere is in the accelerating phase. Second, we study the effect of localized sub-photospheric dissipation on the estimation of the parameters. Finally, we apply our results to GRB 090902B. We find that during the first epoch of this burst the photosphere is most likely to be in the accelerating phase, leading to smaller values of the Lorentz factor than the ones previously estimated. For the second epoch, we find that the photosphere is likely to be in the coasting phase.

Molecular Dynamics Simulations of Cubic Phases in Pluronics Systems and Their Role in Templating Nanoparticles

NASA Astrophysics Data System (ADS)

Anderson, Joshua; Travesset, Alex; Lorenz, Chris

2007-03-01

We discuss molecular dynamics simulations aimed at predicting phase diagrams in Pluronic systems. Crystalline phases with cubic symmetries are particularly challenging to simulate. A general method that is able to obtain these phases is presented. As an example, we show our results for a system of ABA triblock polymers where each hydrophilic A block contains 10 beads and the hydrophobic block B contains 7 beads. These values match the ratio of PEO to PPO in Pluronic F127. Numerous simulation runs are carried out with differing initial conditions, which consistently produce textbook bcc and fcc lattices of micelles along with two other distorted bcc lattices. We find that the formation of a lattice is sensitive to the system's preparation and depends mainly on the kinetic temperature and equilibration time. Examination of the distorted lattices shows that they are related to the finite size of the simulation box. We conclude with some discussion on using these crystals as a template for nanoparticles or biomineralization.

Stable Eutectoid Transformation in Nodular Cast Iron: Modeling and Validation

NASA Astrophysics Data System (ADS)

Carazo, Fernando D.; Dardati, Patricia M.; Celentano, Diego J.; Godoy, Luis A.

2017-01-01

This paper presents a new microstructural model of the stable eutectoid transformation in a spheroidal cast iron. The model takes into account the nucleation and growth of ferrite grains and the growth of graphite spheroids. Different laws are assumed for the growth of both phases during and below the intercritical stable eutectoid. At a microstructural level, the initial conditions for the phase transformations are obtained from the microstructural simulation of solidification of the material, which considers the divorced eutectic and the subsequent growth of graphite spheroids up to the initiation of the stable eutectoid transformation. The temperature field is obtained by solving the energy equation by means of finite elements. The microstructural (phase change) and macrostructural (energy balance) models are coupled by a sequential multiscale procedure. Experimental validation of the model is achieved by comparison with measured values of fractions and radius of 2D view of ferrite grains. Agreement with such experiments indicates that the present model is capable of predicting ferrite phase fraction and grain size with reasonable accuracy.

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

Frolov, T.; Setyawan, W.; Kurtz, R. J.

We report a computational discovery of novel grain boundary structures and multiple grain boundary phases in elemental bcc tungsten. While grain boundary structures created by the - surface method as a union of two perfect half crystals have been studied extensively, it is known that the method has limitations and does not always predict the correct ground states. Here, we use a newly developed computational tool, based on evolutionary algorithms, to perform a grand-canonical search of high-angle symmetric tilt boundary in tungsten, and we find new ground states and multiple phases that cannot be described using the conventional structural unitmore » model. We use MD simulations to demonstrate that the new structures can coexist at finite temperature in a closed system, confirming these are examples of different GB phases. The new ground state is confirmed by first-principles calculations.Evolutionary grand-canonical search predicts novel grain boundary structures and multiple grain boundary phases in elemental body-centered cubic (bcc) metals represented by tungsten, tantalum and molybdenum.« less

Tuning the ferroelectric-to-paraelectric transition temperature and dipole orientation of group-IV monochalcogenide monolayers

NASA Astrophysics Data System (ADS)

Barraza-Lopez, Salvador; Kaloni, Thaneshwor P.; Poudel, Shiva P.; Kumar, Pradeep

2018-01-01

Coordination-related, two-dimensional (2D) structural phase transitions are a fascinating facet of two-dimensional materials with structural degeneracies. Nevertheless, a unified theoretical account of these transitions remains absent, and the following points are established through ab initio molecular dynamics and 2D discrete clock models here: Group-IV monochalcogenide (GeSe, SnSe, SnTe,...) monolayers have four degenerate structural ground states, and a phase transition from a threefold coordinated onto a fivefold coordinated structure takes place at finite temperature. On unstrained samples, this phase transition requires lattice parameters to evolve freely. A fundamental energy scale J permits understanding this transition, and numerical results indicate a transition temperature Tc of about 1.41 J . Numerical data provides a relation among the experimental (rhombic) parameter 〈Δ α 〉 [Chang et al., Science 353, 274 (2016), 10.1126/science.aad8609] and T of the form 〈Δ α 〉 =Δ α (T =0 ) (1-T /Tc)β , with a critical exponent β ≃1 /3 that coincides with experiment. It is also shown that 〈Δ α 〉 is temperature independent in another theoretical work [Fei et al., Phys. Rev. Lett. 117, 097601 (2016), 10.1103/PhysRevLett.117.097601], and thus incompatible with experiment. Tc and the orientation of the in-plane intrinsic electric dipole can be controlled by moderate uniaxial tensile strain, and a modified discrete clock model describes the transition on strained samples qualitatively. An analysis of out-of-plane fluctuations and a discussion of the need for van der Waals corrections to describe these materials are given too. These results provide an experimentally compatible framework to understand structural phase transitions in 2D materials and their effects on material properties.