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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 541 records · Page 30
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DOE OSTI2020

Unhinging the Surfaces of Higher-Order Topological Insulators and Superconductors

Here, we show that the chiral Dirac and Majorana hinge modes in three-dimensional higher-order topological insulators (HOTIs) and superconductors (HOTSCs) can be gapped while preserving the protecting C$_{2n}\mathcal{T}$ symmetry upon the introduction of non-Abelian surface topological order. In both cases, the topological order on a single side surface breaks time-reversal symmetry, but appears with its time-reversal conjugate on alternating sides in a C$_{2n}\mathcal{T}$ preserving pattern. In the absence of the HOTI/HOTSC bulk, such a pattern necessarily involves gapless chiral modes on hinges between C$_{2n}\mathcal{T}$-conjugate domains. However, using a combination of K -matrix and anyon condensation arguments, we show that on the boundary of a 3D HOTI/HOTSC these topological orders are fully gapped and hence “anomalous.” Our results suggest that new patterns of surface and hinge states can be engineered by selectively introducing topological order only on specific surfaces.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Global Phase Diagram of a Spin-Orbital Kondo Impurity Model and the Suppression of Fermi-Liquid Scale

Many correlated metallic materials are described by Landau Fermi-liquid theory at low energies, but for Hund metals the Fermi-liquid coherence scale $T_{FL}$ is found to be surprisingly small. In this Letter, we study the simplest impurity model relevant for Hund metals, the three-channel spin-orbital Kondo model, using the numerical renormalization group (NRG) method and compute its global phase diagram. In this framework, $T_{FL}$ becomes arbitrarily small close to two new quantum critical points that we identify by tuning the spin or spin-orbital Kondo couplings into the ferromagnetic regimes. We find quantum phase transitions to a singular Fermi-liquid or a novel non-Fermi-liquid phase. The new non-Fermi-liquid phase shows frustrated behavior involving alternating overscreenings in spin and orbital sectors, with universal power laws in the spin (ω -1/5 ), orbital (ω 1/ 5 ) and spin-orbital (ω 1 ) dynamical susceptibilities. These power laws, and the NRG eigenlevel spectra, can be fully understood using conformal field theory arguments, which also clarify the nature of the non-Fermi-liquid phase.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Delocalization Transition of a Disordered Axion Insulator

The axion insulator is a higher-order topological insulator protected by inversion symmetry. We show that, under quenched disorder respecting inversion symmetry on average, the topology of the axion insulator stays robust, and an intermediate metallic phase in which states are delocalized is unavoidable at the transition from an axion insulator to a trivial insulator. We derive this conclusion from general arguments, from classical percolation theory, and from the numerical study of a 3D quantum network model simulating a disordered axion insulator through a layer construction. We find the localization length critical exponent near the delocalization transition to be ν = 1.42 ± 0.12. We further show that this delocalization transition is stable even to weak breaking of the average inversion symmetry, up to a critical strength. Finally, we also quantitatively map our quantum network model to an effective Hamiltonian and we find its low-energy k ∙ p expansion.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Low-Energy Supernovae Severely Constrain Radiative Particle Decays

The hot and dense core formed in the collapse of a massive star is a powerful source of hypothetical feebly interacting particles such as sterile neutrinos, dark photons, axionlike particles (ALPs), and others. Radiative decays such as a→2γ deposit this energy in the surrounding material if the mean free path is less than the radius of the progenitor star. For the first time, we use a supernova (SN) population with particularly low explosion energies as the most sensitive calorimeters to constrain this possibility. These SNe are observationally identified as low-luminosity events with low ejecta velocities and low masses of ejected 56 Ni. Their low energies limit the energy deposition from particle decays to less than about 0.1 B, where 1 B(bethe) = 10 51 erg. For 1–500 MeV-mass ALPs, this generic argument excludes ALP-photon couplings G aγγ in the 10 -10 -10 -8 GeV -1 range.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Is the Orbital-Selective Mott Phase Stable against Interorbital Hopping?

The localization-delocalization transition is at the heart of strong correlation physics. Recently, there is great interest in multiorbital systems where this transition can be restricted to certain orbitals, leading to an orbital-selective Mott phase (OSMP). Theoretically, the OSMP is widely studied for kinetically decoupled orbitals, but the effect of interorbital hopping remains unclear. Here, we show how nonlocal interorbital hopping leads to local hybridization in single-site dynamical mean-field theory (DMFT). Under fairly general circumstances, this implies that, at zero temperature, the OSMP, involving the Mott-insulating state of one orbital, is unstable against interorbital hopping to a different, metallic orbital. We further show that the coherence scale below which all electrons are itinerant is very small and gets exponentially suppressed even if the interorbital hopping is not overly small. Within this framework, the OSMP with interorbital hopping may thus reach down to extremely low temperatures T, but not to T = 0. Accordingly, it is part of a coherence-incoherence crossover and not a quantum critical point. Finally, we present analytical arguments supported by numerical results using the numerical renormalization group as a DMFT impurity solver. We also compare our findings with previous slave-spin studies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Measured Potential Profile in a Quantum Anomalous Hall System Suggests Bulk-Dominated Current Flow

Ideally, quantum anomalous Hall systems should display zero longitudinal resistance. Yet in experimental quantum anomalous Hall systems elevated temperature can make the longitudinal resistance finite, indicating dissipative flow of electrons. Here, we show that the measured potentials at multiple locations within a device at elevated temperature are well-described by solution of Laplace's equation, assuming spatially-uniform conductivity, suggesting non-equilibrium current flows through the two-dimensional bulk. Extrapolation suggests that at even lower temperatures current may still flow primarily through the bulk rather than, as had been assumed, through edge modes. In conclusion, an argument for bulk current flow previously applied to quantum Hall systems supports this picture.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Nuclear-Level Effective Theory of 𝜇 → 𝑒 Conversion

The Mu2e and COMET 𝜇 → 𝑒 conversion experiments are expected to significantly advance limits on new sources of charged lepton flavor violation. Almost all theoretical work in the field has focused on just two operators. However, general symmetry arguments lead to a 𝜇 → 𝑒 conversion rate with six response functions, each of which, in principle, is observable by varying nuclear properties of targets. We construct a nucleon-level nonrelativistic effective theory (NRET) to clarify the microscopic origin of these response functions and to relate rate measurements in different targets. This exercise identifies three operators and their small parameters that control the NRET operator expansion. We note inconsistencies in past treatments of these parameters. The NRET is technically challenging, involving 16 operators, several distorted electron partial waves, bound muon upper and lower components, and an exclusive nuclear matrix element. We introduce a trick for treating the electron Coulomb effects accurately, which enables us to include all of these effects while producing transition densities whose one-body matrix elements can be evaluated analytically, greatly simplifying the nuclear physics. We derive bounds on operator coefficients from existing and anticipated 𝜇 → 𝑒 conversion experiments. We discuss how similar NRET formulations have impacted dark matter phenomenology, noting that the tools this community has developed could be adapted for charged lepton flavor violation studies.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Extracting the Quantum Hall Conductance from a Single Bulk Wave Function

In this work, we propose a new formula that extracts the quantum Hall conductance from a single (2+1)⁢ D gapped wave function. The formula applies to general many-body systems that conserve particle number, and is based on the concept of modular flow, i.e., unitary dynamics generated from the entanglement structure of the wave function. The formula is shown to satisfy all formal properties of the Hall conductance: it is odd under time reversal and reflection, even under charge conjugation, universal and topologically rigid in the thermodynamic limit. Further evidence for relating the formula to the Hall conductance is obtained from conformal field theory arguments. Finally, we numerically check the formula by applying it to a noninteracting Chern band where excellent agreement is obtained.

2-dimensional systems↗
DOE OSTI2024

Electrical Control of Spin and Valley in Spin-Orbit Coupled Graphene Multilayers

Electrical control of magnetism has been a major technological pursuit of the spintronics community, owing to its far-reaching implications for data storage and transmission. Here, in this study, we propose and analyze a new mechanism for electrical switching of isospin, using chiral-stacked graphene multilayers, such as Bernal bilayer graphene or rhombohedral trilayer graphene, encapsulated by transition metal dichalcogenide (TMD) substrates. Leveraging the proximity-induced spin-orbit coupling from the TMD, we demonstrate electrical switching of correlation-induced spin and/or valley polarization, by reversing a perpendicular displacement field or the chemical potential. We substantiate our proposal with both analytical arguments and self-consistent Hartree-Fock numerics. Finally, we illustrate how the relative alignment of the TMDs, together with the top and bottom gate voltages, can be used to selectively switch distinct isospin flavors, putting forward correlated Van der Waals heterostructures as a promising platform for spintronics and valleytronics.

36 MATERIALS SCIENCE↗
DOE OSTI2025

NuSTAR Bounds on Radiatively Decaying Particles from M82

Axions and other putative feebly interacting particles with a mass of tens to several hundreds of keVs can be produced in stellar cores with a Lorentz boost factor E a / m a ≲ 10 . Thus, starburst galaxies such as M82 are efficient factories of slow axions. Their decay a → γ γ would produce a large flux of x-ray photons, peaking around 100 keV and spread around the Galaxy by an angle that can be relatively large. We use observations of the Nuclear Spectroscopic Telescope Array mission to show that the absence of these features can constrain 30–500 keV axion masses into uncharted regions for axion-photon coupling of g a γ ∼ 10 − 10 – 10 − 12 GeV − 1 . Our argument can be applied to other heavy feebly interacting particles and astrophysical sources that are hot enough to produce them, yet cold enough to avoid large boost factors which slow down the decay. Published by the American Physical Society 2025

Candón, Francisco R. (ORCID:0009000231999278)↗
DOE OSTI2021

Universal L - 3 finite-size effects in the viscoelasticity of amorphous systems

We present a theory of viscoelasticity of amorphous media, which takes into account the effects of confinement along one of three spatial dimensions. The framework is based on the nonaffine extension of lattice dynamics to amorphous systems, or nonaffine response theory. The size effects due to the confinement are taken into account via the nonaffine part of the shear storage modulus G'. The nonaffine contribution is written as a sum over modes in k-space. With a rigorous argument based on the analysis of the k-space integral over modes, it is shown that the confinement size L in one spatial dimension, e.g., the z axis, leads to a infrared cutoff for the modes contributing to the nonaffine (softening) correction to the modulus that scales as L -3 . Corrections for finite sample size D in the two perpendicular dimensions scale as ~(L/D) 4 , and are negligible for L«D. For liquids it is predicted that G'~L -3 is in agreement with a previous more approximate analysis, whereas for amorphous materials G'~G' bulk +βL -3 . For the case of liquids, four different experimental systems are shown to be very well described by the L-3 law. The theory can also explain previous simulation data of confined jammed granular packings.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Statistical mechanics of kinks on a gliding screw dislocation

The ability of a body-centered-cubic metal to deform plastically is limited by the thermally activated glide motion of screw dislocations, which are line defects with a mobility exhibiting complex dependence on temperature, stress, and dislocation segment length. We derive an analytical expression for the velocity of dislocation glide, based on a statistical mechanics argument, and identify an apparent phase transition marked by a crossover temperature above which the activation energy for glide effectively halves, changing from the formation energy of a double kink to that of a single kink. The analysis is in quantitative agreement with direct kinetic Monte Carlo simulations.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Composite Qdrift-product formulas for quantum and classical simulations in real and imaginary time

Recent study has shown that it can be advantageous to implement a composite channel that partitions the Hamiltonian H for a given simulation problem into subsets A and B such that H = A + B , where the terms in A are simulated with a Trotter-Suzuki channel and the B terms are randomly sampled via the Qdrift algorithm. Here we extend Qdrift and composite product formulas to imaginary time, formulating candidate classical algorithms for quantum Monte Carlo calculations. We upper bound the induced Schatten- 1 → 1 norm on both imaginary-time Qdrift and composite channels. Another recent result demonstrated that simulations of lattice Hamiltonians containing geometrically local interactions can be improved using a Lieb-Robinson argument to decompose H into subsets that contain only terms supported on that subset of the lattice. Here, we provide a quantum algorithm by unifying this result with the composite approach into “local composite channels” and we upper bound the diamond distance. We provide exact numerical simulations of algorithmic cost by counting the number of gates of the form e − i H j t and e − H j β to meet a certain error tolerance ε . In doing so, we optimize the partitioning into sets A and B using gradient boosted tree models from machine learning. These numerical studies are important given that product formulas have been historically known to outperform analytic upper bounds. We show constant factor advantages for a variety of interesting Hamiltonians, the maximum of which is a ≈ 20 -fold speedup that occurs in the simulation of Jellium. Published by the American Physical Society 2024

Pocrnic, Matthew (ORCID:0000000203089376)↗
DOE OSTI2024

Emergent topological quasiparticle kinetics in constricted nanomagnets

The ubiquitous domain wall kinetics under magnetic field or current application describes the dynamic properties in nanostructured magnets. However, when the geometrical size of a nanomagnetic system is constricted to the limiting domain wall length scale, the competing energetics between anisotropy, exchange, and dipolar interactions can cause emergent kinetics due to quasiparticle relaxation, similar to bulk magnets of atomic origin. This paper presents a joint experimental and theoretical study to support this argument: constricted nanomagnets, made of antiferromagnetic and paramagnetic neodymium thin film with honeycomb motif, reveal fast kinetic events at picosecond timescales due to the relaxation of topological quasiparticles that persist to low temperature in the absence of any external stimuli. This discovery is especially important considering the fact that paramagnets or antiferromagnets have no net magnetization. Yet, the kinetics in neodymium nanostructures is quantitatively similar to that found in ferromagnetic counterparts and only varies with the thickness of the specimen. This suggests that a universal, topological quasiparticle-mediated dynamical behavior can be prevalent in nanoscopic magnets, irrespective of the nature of the underlying magnetic material.

Guo, Jiasen↗
DOE OSTI2025

Scattering neutrinos, spin models, and permutations

We consider a class of Heisenberg all-to-all coupled spin models inspired by neutrino interactions in a supernova with N degrees of freedom. These models are characterized by a coupling matrix that is relatively simple in the sense that there are only a few, relative to N , nontrivial eigenvalues, in distinction to the classic Heisenberg spin-glass models, leading to distinct behavior in both the high-temperature and low-temperature regimes. When the momenta of the neutrinos are uniform and random in directions, we can calculate the large- N partition function for the quantum Heisenberg model. In particular, the high-temperature partition function predicts a non-Gaussian density of states, providing interesting counterexamples showing the limits of general theorems on the density of states for quantum spin models. We can repeat the same argument for classical Heisenberg models, also known as rotor models, and we find the high-temperature expansion is completely controlled by the eigenvalues of the coupling matrix, and again predicts non-Gaussian behavior for the density of states as long as the number of eigenvalues does not scale linearly with N . Indeed, we derive the amusing fact that these partition functions are essentially the generating function for counting permutations in the high-temperature regime. Finally, for the case relevant to neutrinos in a supernova, we identify the low-temperature phase as a unique state with the direction of the momenta of the neutrino dictating its coherent state in flavor-space, a state we dub the “flavor-momentum-locked” state. Published by the American Physical Society 2025

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Uncovering Non-Fermi-Liquid Behavior in Hund Metals: Conformal Field Theory Analysis of an SU(2)×SU(3) Spin-Orbital Kondo Model

Hund metals have attracted attention in recent years due to their unconventional superconductivity, which supposedly originates from non-Fermi-liquid (NFL) properties of the normal state. When studying Hund metals using dynamical mean-field theory, one arrives at a self-consistent “Hund impurity problem” involving a multiorbital quantum impurity with nonzero Hund coupling interacting with a metallic bath. If its spin and orbital degrees of freedom are screened at different energy scales, T sp < T orb , the intermediate energy window is governed by a novel NFL fixed point, whose nature had not yet been clarified. We resolve this problem by providing an analytical solution of a paradigmatic example of a Hund impurity problem, involving two spin and three orbital degrees of freedom. To this end, we combine a state-of-the-art implementation of the numerical renormalization group, capable of exploiting non-Abelian symmetries, with a generalization of Affleck and Ludwig’s conformal field theory (CFT) approach for multichannel Kondo models. We characterize the NFL fixed point of Hund metals in detail for a Kondo model with an impurity forming an SU ( 2 ) × SU ( 3 ) spin-orbital multiplet, tuned such that the NFL energy window is very wide. The impurity’s spin and orbital susceptibilities then exhibit striking power-law behavior, which we explain using CFT arguments. We find excellent agreement between CFT predictions and numerical renormalization group results. Our main physical conclusion is that the regime of spin-orbital separation, where orbital degrees of freedom have been screened but spin degrees of freedom have not, features anomalously strong local spin fluctuations: the impurity susceptibility increases as χ sp imp ~ ω – γ , with γ > 1 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Grand Unification of Quantum Algorithms

Quantum algorithms offer significant speed-ups over their classical counterparts for a variety of problems. The strongest arguments for this advantage are borne by algorithms for quantum search, quantum phase estimation, and Hamiltonian simulation, which appear as subroutines for large families of composite quantum algorithms. A number of these quantum algorithms have recently been tied together by a novel technique known as the quantum singular value transformation (QSVT), which enables one to perform a polynomial transformation of the singular values of a linear operator embedded in a unitary matrix. In the seminal GSLW’19 paper on the QSVT [Gilyén et al., ACM STOC 2019], many algorithms are encompassed, including amplitude amplification, methods for the quantum linear systems problem, and quantum simulation. Here, we provide a pedagogical tutorial through these developments, first illustrating how quantum signal processing may be generalized to the quantum eigenvalue transform, from which the QSVT naturally emerges. Paralleling GSLW’19, we then employ the QSVT to construct intuitive quantum algorithms for search, phase estimation, and Hamiltonian simulation, and also showcase algorithms for the eigenvalue threshold problem and matrix inversion. This overview illustrates how the QSVT is a single framework comprising the three major quantum algorithms, suggesting a grand unification of quantum algorithms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗