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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Critical Properties in the Ising Model on a Triangular Lattice with the Variable Interlayer Exchange Interaction

Phase transitions and critical and thermodynamic properties of the three-dimensional antiferromagnetic Ising model on a layered triangular lattice with variable interlayer exchange interaction are studied by the replica algorithm of the Monte Carlo method. The studies are carried out for the ratios of the intralayer J{sub 1} and interlayer J{sub 2} exchange interactions in the range of r = J{sub 2}/J{sub 1} = 0.01–1.0. It is established that a second-order phase transition is observed in the considered r interval. Using the finite size scaling theory, the static critical exponents of the heat capacity α, susceptibility γ, order parameter β, correlation radius ν, and Fisher index η are calculated. It is shown that the universality class of the critical behavior of this model is preserved in the interval of 0.05 < r ≤ 1.0. It was found that with a further decrease in the r value, a crossover from the three-dimensional critical behavior to the quasi-two-dimensional one is observed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

On choosing the order parameter of modulated magnetic structures

Long-period modulated structures in the anisotropic Ising model with competing interactions (the ANNNI model) are studied by Monte Carlo methods. A new order parameter in the form of modulated phase amplitude is proposed for describing modulated structures. It is shown that the properties of the modulated phase-paramagnetic phase transition can be investigated by using the amplitude as the order parameter.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

A reactive molecular dynamics model for uranium/hydrogen containing systems

Uranium-based materials are valuable assets in the energy, medical, and military industries. However, understanding their sensitivity to hydrogen embrittlement is particularly challenging due to the toxicity of uranium and the computationally expensive nature of quantum-based methods generally required to study such processes. In this regard, we have developed a Chebyshev Interaction Model for Efficient Simulation (ChIMES) that can be employed to compute energies and forces of U and UH3 bulk structures with vacancies and hydrogen interstitials with accuracy similar to that of Density Functional Theory (DFT) while yielding linear scaling and orders of magnitude improvement in computational efficiency. Here, we show that the bulk structural parameters, uranium and hydrogen vacancy formation energies, and diffusion barriers predicted by the ChIMES potential are in strong agreement with the reference DFT data. We then use ChIMES to conduct molecular dynamics simulations of the temperature-dependent diffusion of a hydrogen interstitial and determine the corresponding diffusion activation energy. Our model has particular significance in studies of actinides and other high-Z materials, where there is a strong need for computationally efficient methods to bridge length and time scales between experiments and quantum theory.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Anomalous transport and generalized axial charge

For this article, we continue studying the modification of the axial charge in chiral media by macroscopic helicities. Recently it was shown that magnetic reconnections result in a persistent current of zero mode along flux tubes. Here we argue that in general a change in the helical part of the generalized axial charge results in the same phenomenon. Thus one may say that there is a novel realization of chiral effects requiring no initial chiral asymmetry. The transfer of flow helicity to zero modes is analyzed in a toy model based on a vortex reconnection in a chiral superfluid. Then, we discuss the balance between the two competing processes effect of reconnections and the chiral instability on the example of magnetic helicity. We argue that in the general case there is a possibility for the distribution of the axial charge between the magnetic and fermionic forms at the end of the instability.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Phase transitions and critical properties in the antiferromagnetic Ising model on a layered triangular lattice with allowance for intralayer next-nearest-neighbor interactions

The phase transitions (PTs) and critical properties of the antiferromagnetic Ising model on a layered (stacked) triangular lattice have been studied by the Monte Carlo method using a replica algorithm with allowance for the next-nearest-neighbor interactions. The character of PTs is analyzed using the histogram technique and the method of Binder cumulants. It is established that the transition from the disordered to paramagnetic phase in the adopted model is a second-order PT. Static critical exponents of the heat capacity (α), susceptibility (γ), order parameter (β), and correlation radius (ν) and the Fischer exponent η are calculated using the finite-size scaling theory. It is shown that (i) the antiferromagnetic Ising model on a layered triangular lattice belongs to the XY universality class of critical behavior and (ii) allowance for the intralayer interactions of next-nearest neighbors in the adopted model leads to a change in the universality class of critical behavior.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2010

Equations of two-fluid hydrodynamics in the Hubbard model

A set of equations is obtained using stationary and nonstationary superconductivity theories in terms of the Hubbard model. The equations near T{sub c} and for a weak magnetic field have the general form of superconductivity equations with a strongly anisotropic Fermi surface. Calculations are performed using a kinetic equation for quasiparticles. The low-temperature collective excitations in a superconductor are studied. An explicit relationship for the temperature dependence of second sound is obtained.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2010

Condensed ground states of frustrated Bose-Hubbard models

We study theoretically the ground states of two-dimensional Bose-Hubbard models which are frustrated by gauge fields. Motivated by recent proposals for the implementation of optically induced gauge potentials, we focus on the situation in which the imposed gauge fields give rise to a pattern of staggered fluxes of magnitude {alpha} and alternating in sign along one of the principal axes. For {alpha}=1/2 this model is equivalent to the case of uniform flux per plaquette n{sub {phi}=}1/2, which, in the hard-core limit, realizes the 'fully frustrated' spin-1/2 XY model. We show that the mean-field ground states of this frustrated Bose-Hubbard model typically break translational symmetry. Given the presence of both a non-zero superfluid fraction and translational symmetry breaking, these phases are supersolid. We introduce a general numerical technique to detect broken symmetry condensates in exact diagonalization studies. Using this technique we show that, for all cases studied, the ground state of the Bose-Hubbard model with staggered flux {alpha} is condensed, and we obtain quantitative determinations of the condensate fraction. We discuss the experimental consequences of our results. In particular, we explain the meaning of gauge invariance in ultracold-atom systems subject to optically induced gauge potentials and show how the ability to imprint phase patterns prior to expansion can allow very useful additional information to be extracted from expansion images.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Comment on “A case study on the scaling of 1/f noise: La{sub 2∕3}Sr{sub 1∕3}MnO{sub 3} thin films” [J. Appl. Phys. 113, 094901 (2013)]

The problem of non-standard scaling of the 1/f noise in thin manganite films was revisited in the above paper, suggesting the quantum theory of fundamental flicker noise for the interpretation of the unusual dependence of the normalized Hooge parameter on the sample volume. Experimental evidence has been reported, showing that in these materials such volume dependence is, instead, an artifact of extrinsic noise sources, e.g., contact noise. Moreover, the proposed theoretical model implies a linear temperature dependence of the Hooge parameter, which is against the experimental data reported here. Based on these arguments, it is possible to conclude that the quantum theory of fundamental flicker noise cannot be applied to the case of La{sub 2∕3}Sr{sub 1∕3}MnO{sub 3} thin films.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Effective field theory of pairing rotations

Pairing rotations are the low-energy excitations of finite superfluid systems, connecting systems that differ in their number of Cooper pairs. This paper presents a model-independent derivation of pairing rotations within an effective theory that exploits the emergent breaking of U(1) phase symmetries. The symmetries are realized nonlinearly and the Nambu-Goldstone modes depend only on time because the system is finite. Semimagic nuclei exhibit pairing rotational bands while the pairing spectrum becomes an elliptical paraboloid for open-shell nuclei. Model-independent relations between double charge-exchange reactions and α particle capture or knockout in open-shell nuclei are in analogy to the pair transfer reactions in a single superfluid. Odd semimagic nuclei are described by coupling a fermion to the superfluid. Furthermore, the leading-order theories reproduce data for pairing rotational bands within uncertainty estimates.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2010

Comment on 'Quenches in quantum many-body systems: One-dimensional Bose-Hubbard model reexamined'

In a recent paper, Roux [Phys. Rev. A 79, 021608(R) (2009)] argued that thermalization in a Bose-Hubbard system, after a quantum quench, follows from the approximate Boltzmann distribution of the overlap between the initial state and the eigenstates of the final Hamiltonian. We show here that the distribution of the overlaps is in general not related to the canonical (or microcanonical) distribution and, hence, it cannot explain why thermalization occurs in quantum systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Solvable theory of a strange metal at the breakdown of a heavy Fermi liquid

In this work, we introduce an effective theory for quantum critical points (QCPs) in heavy-fermion systems, involving a change in carrier density without symmetry breaking. Our theory captures a strongly coupled metallic QCP, leading to robust marginal Fermi-liquid transport phenomenology, and associated linear in temperature (T) "strange metal" resistivity, all within a controlled large-N limit. In the parameter regime of strong damping of emergent bosonic excitations, the QCP also displays a near-universal "Planckian" transport lifetime τ tr ~ℏ/(k B T). This is contrasted with the conventional so-called "slave boson" theory of the Kondo breakdown, where the large-N limit describes a weak coupling fixed point and nontrivial transport behavior may only be obtained through uncontrolled 1/N corrections. We also compute the weak-field Hall coefficient within the effective model as the system is tuned across the transition. We then find that, between the two plateaus reflecting the different carrier densities in the two Fermi-liquid phases, the Hall coefficient can develop a peak in the critical crossover regime, like in recent experimental findings, in the parameter regime of weak boson damping.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Temperature-Dependent Short-Circuit Capability of Silicon Carbide Power MOSFETs

Our paper presents a comprehensive short-circuit ruggedness evaluation and numerical investigation of up-to-date commercial silicon carbide (SiC) MOSFETs. The short-circuit capability of three types of commercial 1200-V SiC MOSFETs is tested under various conditions, with case temperatures from 25 to 200 degrees C and dc bus voltages from 400 to 750 V. It is found that the commercial SiC MOSFETs can withstand short-circuit current for only several microseconds with a dc bus voltage of 750 V and case temperature of 200 degrees C. Moreover, the experimental short-circuit behaviors are compared, and analyzed through numerical thermal dynamic simulation. Specifically, an electrothermal model is built to estimate the device internal temperature distribution, considering the temperature-dependent thermal properties of SiC material. Based on the temperature information, a leakage current model is derived to calculate the main leakage current components (i.e., thermal, diffusion, and avalanche generation currents). Finally, numerical results show that the short-circuit failure mechanisms of SiC MOSFETs can be thermal generation current induced thermal runaway or high-temperature-related gate oxide damage.

4H↗
DOE OSTI2021

Machine learning to alleviate Hubbard-model sign problems

Lattice Monte Carlo calculations of interacting systems on nonbipartite lattices exhibit an oscillatory imaginary phase known as the phase or sign problem, even at zero chemical potential. One method to alleviate the sign problem is to analytically continue the integration region of the state variables into the complex plane via holomorphic flow equations. For asymptotically large flow times, the state variables approach manifolds of constant imaginary phase known as Lefschetz thimbles. Furthermore, flowing such variables and calculating the ensuing Jacobian is a computationally demanding procedure. In this paper, we demonstrate that neural networks can be trained to parametrize suitable manifolds for this class of sign problem and drastically reduce the computational cost for different severely afflicted small volume systems. In particular, we apply our method to the Hubbard model on the triangle and tetrahedron, both of which are nonbipartite. At strong interaction strengths and modest temperatures, the tetrahedron suffers from a severe sign problem that cannot be overcome with standard reweighting techniques, while it quickly yields to our method. We benchmark our results with exact calculations and comment on future directions of this work.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Enumeration and stability analysis of simple periodic orbits in β-Fermi Pasta Ulam lattice

We study the well-known one-dimensional problem of N particles with a nonlinear interaction. The special case of quadratic and quartic interaction potential among nearest neighbours is the β-Fermi-Pasta-Ulam model. We enumerate and classify the simple periodic orbits for this system and find the stability zones, employing Floquet theory. Such stability analysis is crucial to understand the transition of FPU lattice from recurrences to globally chaotic behavior, energy transport in lower dimensional system, dynamics of optical lattices and also its impact on shape parameter of bio-polymers such as DNA and RNA.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Magnons in one-dimensional k-component Fibonacci structures

We have studied the magnon transmission through of one-dimensional magnonic k-component Fibonacci structures, where k different materials are arranged in accordance with the following substitution rule: S{sub n}{sup (k)}=S{sub n−1}{sup (k)}S{sub n−k}{sup (k)} (n≥k=0,1,2,…), where S{sub n}{sup (k)} is the nth stage of the sequence. The calculations were carried out in exchange dominated regime within the framework of the Heisenberg model and taking into account the RPA approximation. We have considered multilayers composed of simple cubic spin-S Heisenberg ferromagnets, and, by using the powerful transfer-matrix method, the spin wave transmission is obtained. It is demonstrated that the transmission coefficient has a rich and interesting magnonic pass- and stop-bands structures, which depends on the frequency of magnons and the k values.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Anomalously strong near-neighbor attraction in doped 1D cuprate chains

In the cuprates, one-dimensional (1D) chain compounds provide a distinctive opportunity to understand the microscopic physics, owing to the availability of reliable theories. However, progress has been limited by the challenge of controllably doping these materials. We report the synthesis and spectroscopic analysis of the 1D cuprate Ba 2-x Sr x CuO 3+δ over a wide range of hole doping. Our angle-resolved photoemission experiments reveal the doping evolution of the holon and spinon branches. We identify a prominent folding branch whose intensity fails to match predictions of the simple Hubbard model. An additional strong near-neighbor attraction, which may arise from coupling to phonons, quantitatively explains experiments for all accessible doping levels. Furthermore, considering structural and quantum chemistry similarities among cuprates, this attraction may play a similarly important role in high-temperature cuprate superconductors.

1D Chain↗
DOE OSTI2016

STRUCTURES OF THE VELA PULSAR AND THE GLITCH CRISIS FROM THE BRUECKNER THEORY

Detailed structures of the Vela pulsar (PSR B0833-45, with a period of 89.33 ms) are predicted by adopting a recently constructed unified treatment of all parts of neutron stars: the outer crust, the inner crust, and the core based on modern microscopic Brueckner–Hartree–Fock calculations. Taking a pulsar mass in the range from 1.0 to 2.0 M{sub ⊙}, we calculate the central density, the core/crust radii, the core/crustal mass, the core/crustal thickness, the moment of inertia, and the crustal moment of inertia. Among them, the crustal moment of inertia could be effectively constrained from the accumulated glitch observations, which has been a great debate recently, known as the “glitch crisis.” Namely, superfluid neutrons contained in the inner crust, which are regarded as the origin of the glitch in the standard two-component model, could be largely entrained in the nuclei lattices, and then there may not be enough superfluid neutrons (∼4/5 less than the previous value) to trigger the large glitches (Δν/ν{sub 0} ∼ 10{sup −6}) in the Vela pulsar. By confronting the glitch observations with the theoretical calculations for the crustal moment of inertia, we find that despite some recent opposition to the crisis argument, the glitch crisis is still present, which means that besides the crustal superfluid neutrons, core neutrons might be necessary for explaining the large glitches of the Vela pulsar.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Low-energy limit of some exotic lattice theories and UV/IR mixing

We continue our exploration of exotic, gapless lattice and continuum field theories with subsystem global symmetries. In an earlier paper, we presented free lattice models enjoying all the global symmetries (except continuous translations), dualities, and anomalies of the continuum theories. Here, we study in detail the relation between the lattice models and the corresponding continuum theories. We do that by analyzing the spectrum of the theories and several correlation functions. These lead us to uncover interesting subtleties in the way the continuum limit can be taken. In particular, in some cases, the infinite volume limit and the continuum limit do not commute. Furthermore, this signals a surprising UV/IR mixing, i.e., long distance sensitivity to short distance details.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗