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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 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Generalized multifractality at spin quantum Hall transition

Generalized multifractality characterizes scaling of eigenstate observables at Anderson-localization critical points. We explore generalized multifractality in 2D systems, with the main focus on the spin quantum Hall (SQH) transition in superconductors of symmetry class C. Relations and differences with the conventional integer quantum Hall (IQH) transition are also studied. Using the field-theoretical formalism of non-linear sigma-model, we derive the pure-scaling operators representing generalizing multifractality and then “translate” them to the language of eigenstate observables. Performing numerical simulations on network models for SQH and IQH transitions, we confirm the analytical predictions for scaling observables and determine the corresponding exponents. Remarkably, the generalized-multifractality exponents at the SQH critical point strongly violate the generalized parabolicity of the spectrum, which implies violation of the local conformal invariance at this critical point.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Density of States and the Ground State Structure in the Ising Model on a Kagome Lattice with Consideration for Next-Nearest-Neighbor Interaction

Phase transitions and thermodynamic properties have been studied in the two-dimensional antiferromagnetic Ising model on a Kagome lattice by the Monte Carlo method with consideration for both nearest- and next-nearest-neighbor interaction. Using the histogram data analysis method, it has been shown that the studied model is characterized by a second-order phase transition. The temperature dependence of thermodynamic parameters has been revealed to exhibit abnormal behavior.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Improved quasiparticle self-consistent electronic band structure and excitons in β – LiGaO 2

The band structure of β–LiGaO 2 is calculated using the quasiparticle self-consistent QSGWˆ method where the screened Coulomb interaction Wˆ is evaluated including electron-hole interaction ladder diagrams and G is the one-electron Green's function. Improved convergence compared to previous calculations leads to a significantly larger band gap of about 7.0 eV. However, exciton binding energies are found to be large and lead to an exciton gap of about 6.0 eV if also a zero-point-motion correction of about –0.4 eV is included. Furthermore, these results are in excellent agreement with recent experimental results on the onset of absorption. Besides the excitons observed thus far, the calculations indicate the existence of a Rydberg-like series of exciton excited states, which is however modified from the classical Wannier exciton model by the anisotropies of the material and the more complex mixing of Bloch states in the excitons resulting from the Bethe-Salpeter equation. The exciton fine structure and the exciton wave functions are visualized and analyzed in various ways.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Easy-plane anisotropic-exchange magnets on a honeycomb lattice: Quantum effects and dealing with them

We provide analytical and numerical insights into the phase diagram and other properties of the extended Kitaev-Heisenberg model on the honeycomb lattice in the easy-plane limit, in which interactions are only between spin components that belong to the plane of magnetic ions. This parameter subspace allows for a much-needed systematic quantitative investigation of spin excitations in the ordered phases and of their generic features. Specifically, we demonstrate that in this limit one can consistently take into account magnon interactions in both zero-field zigzag and field-polarized phases. For the nominally polarized phase, we propose a regularization of the unphysical divergences that occur at the critical field and are plaguing the 1/S approximation in this class of models. For the explored parameter subspace, all symmetry-allowed terms of the standard parametrization of the extended Kitaev-Heisenberg model, such as K, J, and Γ, are significant, making the offered consideration relevant to a much wider parameter space. Furthermore, the dynamical structure factor near the paramagnetic critical point illustrates this relevance by showing features that are reminiscent of the ones observed in α–RuCl 3 , underscoring that they are not unique and should be common to a wide range of parameters of the model and, by extension, to other materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

On a simple molecular–statistical model of a liquid-crystal suspension of anisometric particles

A molecular–statistical mean-field theory is constructed for suspensions of anisometric particles in nematic liquid crystals (NLCs). The spherical approximation, well known in the physics of ferromagnetic materials, is considered that allows one to obtain an analytic expression for the free energy and simple equations for the orientational state of a suspension that describe the temperature dependence of the order parameters of the suspension components. The transition temperature from ordered to isotropic state and the jumps in the order parameters at the phase-transition point are studied as a function of the anchoring energy of dispersed particles to the matrix, the concentration of the impurity phase, and the size of particles. The proposed approach allows one to generalize the model to the case of biaxial ordering.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Quantum Spin Dynamics Due to Strong Kitaev Interactions in the Triangular-Lattice Antiferromagnet CsCeSe 2

The extraordinary properties of the Kitaev model have motivated an intense search for new physics in materials that combine geometrical and bond frustration. In this Letter, we employ inelastic neutron scattering, spin wave theory, and exact diagonalization to study the spin dynamics in the perfect triangular-lattice antiferromagnet (TLAF) CsCeSe 2 . This material orders into a stripe phase, which is demonstrated to arise as a consequence of the off-diagonal bond-dependent terms in the spin Hamiltonian. By studying the spin dynamics at intermediate fields, we identify an interaction between the single-magnon state and the two-magnon continuum that causes decay of coherent magnon excitations, level repulsion, and transfer of spectral weight to the continuum that are controlled by the strength of the magnetic field. Our results provide a microscopic mechanism for the stabilization of the stripe phase in TLAF and show how complex many-body physics can be present in the spin dynamics in a magnet with strong Kitaev coupling even in an ordered ground state. Published by the American Physical Society 2024

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Spin-polarized hydrogen adsorbed on the surface of superfluid {sup 4}He

The experimental realization of a thin layer of spin-polarized hydrogen H↓ adsorbed on top of the surface of superfluid {sup 4}He provides one of the best examples of a stable, nearly two-dimensional (2D) quantum Bose gas. We report a theoretical study of this system using quantum Monte Carlo methods in the limit of zero temperature. Using the full Hamiltonian of the system, composed of a superfluid {sup 4}He slab and the adsorbed H↓ layer, we calculate the main properties of its ground state using accurate models for the pair interatomic potentials. Comparing the results for the layer with the ones obtained for a strictly 2D setup, we analyze the departure from the 2D character when the density increases. Only when the coverage is rather small the use of a purely 2D model is justified. The condensate fraction of the layer is significantly larger than in 2D at the same surface density, being as large as 60% at the largest coverage studied.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Cluster expansion modeling and Monte Carlo simulation of alnico 5–7 permanent magnets

The concerns about the supply and resource of rare earth (RE) metals have generated a lot of interests in searching for high performance RE-free permanent magnets. Alnico alloys are traditional non-RE permanent magnets and have received much attention recently due their good performance at high temperature. In this paper, we develop an accurate and efficient cluster expansion energy model for alnico 5–7. Monte Carlo simulations using the cluster expansion method are performed to investigate the structure of alnico 5–7 at atomistic and nano scales. The alnico 5–7 master alloy is found to decompose into FeCo-rich and NiAl-rich phases at low temperature. The boundary between these two phases is quite sharp (∼2 nm) for a wide range of temperature. The compositions of the main constituents in these two phases become higher when the temperature gets lower. Both FeCo-rich and NiAl-rich phases are in B2 ordering with Fe and Al on α-site and Ni and Co on β-site. The degree of order of the NiAl-rich phase is much higher than that of the FeCo-rich phase. A small magnetic moment is also observed in NiAl-rich phase but the moment reduces as the temperature is lowered, implying that the magnetic properties of alnico 5–7 could be improved by lowering annealing temperature to diminish the magnetism in NiAl-rich phase. The results from our Monte Carlo simulations are consistent with available experimental results.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Self-Consistent Two-Gap Description of MgB2 Superconductor

A self-consistent two-gap γ -model is used to quantitatively describe several thermodynamic properties of MgB 2 superconductor. The superconducting coupling matrix, ν i j , was obtained from the fitting of the superfluid density in the entire superconducting temperature range. Using this input, temperature-dependent superconducting gaps, specific heat, and upper critical fields were calculated with no adjustable parameters and compared with the experimental data as well as with the first-principles calculations. The observed agreement between fit and data shows that γ -model provides adequate quantitative description of the two-gap superconductivity in MgB 2 and may serve as a relatively simple and versatile self-consistent description of the thermodynamic quantities in multi-gap superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

μ SR and magnetometry study of superconducting 5% Pt-doped IrTe 2

In this paper, we present magnetometry and muon spin rotation ( SR) measurements of the superconducting dichalcogenide Ir 0.95 Pt 0.05 Te 2 . From both sets of measurements we calculate the penetration depth and thence superfluid density as a function of temperature. The temperature dependence of the superfluid densities from both sets of data indicate fully gapped superconductivity that can be fit to a conventional s-wave model and yield fitting parameters consistent with a BCS weak coupling superconductor. Finally, we therefore see no evidence for exotic superconductivity in Ir 0.95 Pt 0.05 Te 2 .

36 MATERIALS SCIENCE↗
DOE OSTI2014

Collective modes and Kosterlitz-Thouless transition in a magnetic field in the planar Nambu–Jona-Lasinio model

It is known that a constant magnetic field is a strong catalyst of dynamical chiral symmetry breaking in 2+1 dimensions, leading to generating dynamical fermion mass even at weakest attraction. In this work we investigate the collective modes associated with the dynamical chiral symmetry breaking in a constant magnetic field in the (2+1)-dimensional Nambu–Jona-Lasinio model with continuous U(1) chiral symmetry. We introduce a self-consistent scheme to evaluate the propagators of the collective modes at the leading order in 1/N. The contributions from the vacuum and from the magnetic field are separated such that we can employ the well-established regularization scheme for the case of vanishing magnetic field. The same scheme can be applied to the study of the next-to-leading order correction in 1/N. We show that the sigma mode is always a lightly bound state with its mass being twice the dynamical fermion mass for arbitrary strength of the magnetic field. Since the dynamics of the collective modes is always 2+1 dimensional, the finite temperature transition should be of the Kosterlitz-Thouless (KT) type. We determine the KT transition temperature T KT as well as the mass melting temperature T* as a function of the magnetic field. It is found that the pseudogap domain T KT < T < T* is enlarged with increasing strength of the magnetic field. The influence of a chiral imbalance or axial chemical potential μ 5 is also studied. We find that even a constant axial chemical potential μ5 can lead to inverse magnetic catalysis of the KT transition temperature in 2+1 dimensions. As a result, the inverse magnetic catalysis behavior is actually the de Haas–van Alphen oscillation induced by the interplay between the magnetic field and the Fermi surface.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Double layers and double wells in arbitrary degenerate plasmas

Using the generalized hydrodynamic model, the possibility of variety of large amplitude nonlinear excitations is examined in electron-ion plasma with arbitrary electron degeneracy considering also the ion temperature effect. A new energy-density relation is proposed for plasmas with arbitrary electron degeneracy which reduces to the classical Boltzmann and quantum Thomas-Fermi counterparts in the extreme limits. The pseudopotential method is employed to find the criteria for existence of nonlinear structures such as solitons, periodic nonlinear structures, and double-layers for different cases of adiabatic and isothermal ion fluids for a whole range of normalized electron chemical potential, η{sub 0}, ranging from dilute classical to completely degenerate electron fluids. It is observed that there is a Mach-speed gap in which no large amplitude localized or periodic nonlinear excitations can propagate in the plasma under consideration. It is further revealed that the plasma under investigation supports propagation of double-wells and double-layers the chemical potential and Mach number ranges of which are studied in terms of other plasma parameters. The Mach number criteria for nonlinear waves are shown to significantly differ for cases of classical with η{sub 0} < 0 and quantum with η{sub 0} > 0 regimes. It is also shown that the localized structure propagation criteria possess significant dissimilarities for plasmas with adiabatic and isothermal ions. Current research may be generalized to study the nonlinear structures in plasma containing positrons, multiple ions with different charge states, and charged dust grains.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Heat and mass transfer during a sudden loss of vacuum in a liquid helium cooled tube - Part III: Heat deposition in He II

A sudden loss of vacuum can be catastrophic for superconducting particle accelerators. In such an event, air leaks into the liquid-helium-cooled accelerator beamline tube and condenses on its inner surface, causing rapid boiling of the helium and dangerous pressure build-up. Understanding the coupled heat and mass transfer processes is important for the design of the beamline cryogenic system. Our past experimental study on nitrogen gas propagating in a copper tube cooled by normal liquid helium (He I) has revealed a nearly exponential slowing down of the gas front. A theoretical model that accounts for the interplay of the gas dynamics and the condensation was developed, which successfully reproduced various key observations. However, since many accelerator beamlines are actually cooled by superfluid helium (He II) in which the heat transfer is via a non-classical thermal counterflow mode, we need to extend our work to the He II cooled tube. This paper reports our systematic measurements using He II and the numerical simulations based on a modified model that accounts for the He II heat-transfer characteristics. By tuning the He II peak heat-flux parameter in our model, we have reproduced the observed gas dynamics in all experimental runs. The fine-tuned model is then utilized to reliably evaluate the heat deposition in He II. Finallly, this work not only advances our understanding of condensing gas dynamics but also has practical implications to the design codes for beamline safety.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

The self-trapping transition in the non-half-filled strongly correlated extended Holstein-Hubbard model in two-dimensions

The two-dimensional extended Holstein-Hubbard model (EHH) has been considered at strong correlation regime in the non-half-filled band case to understand the self-trapping transition of electrons in strongly correlated electron system. We have used the method of optimized canonical transformations to transform an EHH model into an effective extended Hubbard (EEH) model. In the strong on-site correlation limit an EH model can be transformed into a t-J model which is finally solved using Hartree-Fock approximation (HFA). We found that, for non-half-filled band case, the transition is abrupt in the adiabatic region whereas it is continuous in the anti-adiabatic region.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Mean-Field and Monte Carlo Studies of the Magnetic Properties of a Spin-7/2 and Spin-5/2 Ising Bilayer Film

We use standard Monte Carlo simulations based on the Metropolis algorithm and mean-field calculations to investigate the magnetic properties of an Ising bilayer film consisting of two superposed ferromagnetic squared lattices A and B whose magnetic atoms have spin 7/2 and 5/2 respectively. Crystal-field and external magnetic field effects on the spins are considered in the model. The magnetic order parameters and response functions are calculated as functions of the temperature for selected values of the model parameters and this enables one to devise thermal phase diagrams by both methods. Our calculations only reveal second-order phase boundaries. Under appropriate conditions, compensation point phenomena are detected in the calculations below the critical temperatures. When the system is exposed to the external magnetic constraint, attracting hysteresis phenomena are sometimes generated. The temperature dependence of the coercitive field for various values of the crystal-field is singled out.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2010

Nonlinear Magnetoresistance Oscillations in Intensely Irradiated Two-Dimensional Electron Systems Induced by Multiphoton Processes.

We report on magneto-oscillations in differential resistivity of a two-dimensional electron system subject to intense microwave radiation. The period of these oscillations is determined not only by microwave frequency but also by its intensity. A theoretical model based on quantum kinetics at high microwave power captures all important characteristics of this phenomenon which is strongly nonlinear in microwave intensity. Our results demonstrate a crucial role of the multiphoton processes near the cyclotron resonance and its harmonics in the presence of strong dc electric field and offer a unique way to reliably determine the intensity of microwaves acting on electrons.

43 PARTICLE ACCELERATORS↗
DOE OSTI2016

Hysteresis in a superfluid atom circuit

We study a hysteresis phenomenon in a rotating BEC with a weak link in a quasi-one-dimensional torus by proposing a microscopic theoretical model including a dissipation bath. By analyzing the role of dissipation and the decay rates of all the energy levels, we are able to give a microscopic interpretation of hysteresis recently observed in the experiment and confirm that the hysteresis is the result of the presence of metastable state. In particular, we obtain the hysteresis loops in a quench process just as that in the experiment. We also find that the shape and size of the hysteresis loop change drastically with the strength of the link.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

On the Origin of Enhanced Critical Current Density and Thermal-Activated Flux Flow in K{sub x}Fe{sub 2−y}Se{sub 2} Superconductors: the Effect of Quenching and Mn Doping

A magnetotransport, vortex pinning, and critical current density study of superconducting K{sub 0.8}Fe{sub 2−z}Mn{sub z}Se{sub 2} (z = 0, 0.02) single crystals is reported. The parameters of upper critical field, coherence length, and anisotropic ratio at 0 K are presented. Based on thermally activated flux flow model, the values of pinning potential, U{sub 0}{sup ∥{sub c}}(U{sub 0}{sup ∥{sub a}{sub b}}), at 0.25 T are derived to be as large as 1.3 × 10{sup 4}(1.8 × 10{sup 4}) K for z = 0.02, which shows rather robust and retains still larger than pure ones up to 9 T. Utilizing scanning electron microscope, it is revealed the increased magnitude of magnetic moment in magnetic hysteresis loops correlates well with the crystal morphology variation. The evidence on the inhomogeneous distribution of Mn dopants between the matrix and stripe phase is also shown. Furthermore, the temperature dependence of critical current density is analyzed by different pinning regimes and the model of granular superconductor. It is demonstrated that the Josephson coupling between superconducting grains exists in quenched K{sub 0.8}Fe{sub 2−y}Se{sub 2}. However, for Mn-doped sample, the Mn dopant can induce strong vortex pinning in the form of fine K–Mn–Se inclusions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗