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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

On the proper derivation of the Floquet-based quantum classical Liouville equation and surface hopping describing a molecule or material subject to an external field

We investigate different approaches to derive the proper Floquet-based quantum–classical Liouville equation (F-QCLE) for laser-driven electron-nuclear dynamics. The first approach projects the operator form of the standard QCLE onto the diabatic Floquet basis and then transforms to the adiabatic representation. The second approach directly projects the QCLE onto the Floquet adiabatic basis. Both approaches yield a form that is similar to the usual QCLE with two modifications: (1) The electronic degrees of freedom are expanded to infinite dimension and (2) the nuclear motion follows Floquet quasi-energy surfaces. However, the second approach includes an additional cross derivative force due to the dual dependence on time and nuclear motion of the Floquet adiabatic states. Our analysis and numerical tests indicate that this cross derivative force is a fictitious artifact, suggesting that one cannot safely exchange the order of Floquet state projection with adiabatic transformation. Our results are in accord with similar findings by Izmaylov et al., [J. Chem. Phys. 140, 084104 (2014)] who found that transforming to the adiabatic representation must always be the last operation applied, although now we have extended this result to a time-dependent Hamiltonian. Finally, this paper and the proper derivation of the F-QCLE should lay the basis for further improvements of Floquet surface hopping.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Soft particles and infinite-dimensional geometry

Abstract In the sigma model, soft insertions of moduli scalars enact parallel transport ofS-matrix elements about the finite-dimensional moduli space of vacua, and the antisymmetric double-soft theorem calculates the curvature of the vacuum manifold. We explore the analogs of these statements in gauge theory and gravity in asymptotically flat spacetimes, where the relevant moduli spaces are infinite-dimensional. These models have spaces of vacua parameterized by (trivial) flat connections on the celestial sphere, and soft insertions of photons, gluons, and gravitons parallel transportS-matrix elements about these infinite-dimensional manifolds. We argue that the antisymmetric double-soft gluon theorem ind + 2 bulk dimensions computes the curvature of a connection on the infinite-dimensional space Map ( S d , G ) / G , whereGis the global part of the gauge group. The analogous metrics in abelian gauge theory and gravity are flat, as indicated by the vanishing of the antisymmetric double-soft theorems in those models. In other words, Feynman diagram calculations not only know about the vacuum manifold of Yang–Mills theory, they can also be used to compute its curvature. The results have interesting implications for flat space holography.

Astronomy & Astrophysics↗
DOE OSTI2024

Present and future of $\mathcal{C}$osmo $\mathcal{L}$attice

We discuss the present state and planned updates of Cosmo Lattice, a cutting-edge code for lattice simulations of non-linear dynamics of scalar-gauge field theories in an expanding background. We first review the current capabilities of the code, including the simulation of interacting singlet scalars and of Abelian and non-Abelian scalar-gauge theories. We also comment on new features recently implemented, such as the simulation of gravitational waves from scalar and gauge fields. Secondly, we discuss new extensions of Cosmo Lattice that we plan to release publicly. We comment on new physics modules, which include axion-gauge interactions $\phi F\tilde{F}$, non-minimal gravitational couplings $\phi ^2R$, creation and evolution of cosmic-defect networks, and magnetohydrodynamics. Finally, we also discuss new technical features, including evolvers for non-canonical interactions, arbitrary initial conditions, simulations in 2+1 dimensions, and higher-accuracy spatial derivatives.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Higher-Form Anomalies on Lattices

We show that generic gapped quantum many-body states which respect an anomalous finite higher-form symmetry have an exponentially small overlap with any short-range entangled (SRE) state. Hence, anomalies of higher-form symmetries enforce $intrinsic$ long-range entanglement, which is in contrast with anomalies of ordinary (0-form) symmetries which are compatible with symmetric SRE states (specifically, symmetric cat states). As an application, we show that the anomalies of strong higher-form symmetries provide a diagnostic for mixed-state topological order in $d \geq 2$ spatial dimensions. We also identify a new (3+1)D intrinsic mixed-state topological order that does not obey remote-detectability by local decoherence of the (3+1)D Toric Code with fermionic loop excitations. This breakdown of remote detectability, as encoded in anomalies of strong higher-form symmetries, provides a partial characterization of intrinsically mixed-state topological order.

Feng, Yitao [Peking University, Beijing (China)] (↗
DOE OSTI2021

Scaling functions for eigenstate entanglement crossovers in harmonic lattices

For quantum matter, eigenstate entanglement entropies obey an area law or log-area law at low energies and small subsystem sizes and cross over to volume laws for high energies and large subsystems. This transition is captured by crossover functions, which assume a universal scaling form in quantum critical regimes. We demonstrate this for the harmonic lattice model, which describes quantized lattice vibrations and is a regularization for free scalar field theories, modeling, e.g., spin-0 bosonic particles. In one dimension, the ground-state entanglement obeys a log-area law. For dimensions d ≥ 2, it displays area laws, even at criticality. The distribution of excited-state entanglement entropies is found to be sharply peaked around subsystem entropies of corresponding thermodynamic ensembles in accordance with the eigenstate thermalization hypothesis. Numerically, we determine crossover scaling functions for the quantum critical regime of the model and do a large-deviation analysis. We show how infrared singularities of the system can be handled and how to access the thermodynamic limit using a perturbative trick for the covariance matrix. Eigenstates for quasi-free bosonic systems are not Gaussian. Here, we resolve this problem by considering appropriate squeezed states instead. For these, entanglement entropies can be evaluated efficiently.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Confined magnons

Magnetic structures are known to possess magnon excitations confined to their surfaces and interfaces, but these spatially localized modes are often not resolved in spectroscopy experiments. In this work, we develop a theory to calculate the confined magnon spectra and its associated spin scattering function, which is the physical observable in neutron and electron scattering, and a proxy for photon spectroscopy based on x-ray, Raman, and terahertz (THz) sources. We show that extra anisotropy at the surface or interface plays a key role in magnon confinement. We obtain analytical expressions for the confinement length scale and show that it is qualitatively similar for ferromagnets and antiferromagnets in dimension d≥2. For d=1, we find remarkable differences between ferromagnetic and antiferromagnetic models. The theory indicates the presence of several confined magnon resonances in addition to the usual magnons thought to explain the excitations of magnetic nanostructures. Detecting these modes may elucidate the impact of the interface on spin anisotropy and magnetic order.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Sixfold Way of Traversable Wormholes in the Sachdev-Ye-Kitaev Model

In the infrared limit, a nearly anti–de Sitter spacetime in two dimensions ( AdS 2 ) perturbed by a weak double trace deformation and a two-site ( q > 2 )-body Sachdev-Ye-Kitaev (SYK) model with N Majoranas and a weak 2 r -body intersite coupling share the same near-conformal dynamics described by a traversable wormhole. We exploit this relation to propose a symmetry classification of traversable wormholes depending on N , q , and r , with q > 2 r , and confirm it by a level statistics analysis using exact diagonalization techniques. Intriguingly, a time-reversed state never results in a new state, so only six universality classes occur—A, AI, BDI, CI, C, and D—and different symmetry sectors of the model may belong to distinct universality classes. Published by the American Physical Society 2024

Physics↗
DOE OSTI2021

Improved semiclassical model for real-time evaporation of matrix black holes

In this paper, we study real-time classical matrix mechanics of a simplified 2 × 2 matrix model inspired by the black hole evaporation problem. This is a step towards making a quantitative model of real-time evaporation of a black hole, which is realized as a bound state of D0-branes in string theory. The model we study is the reduction of Yang–Mills in 2 + 1 dimension to 0 + 1 dimensions, which has been corrected with an additional potential that can be interpreted as a zero-point energy for fermions. Our goal is to understand the lifetime of such a classical bound state object in the classical regime. To do so, we pay particular attention to when D-particles separate to check that the “off-diagonal modes” of the matrices become adiabatic and use that information to improve on existing models of evaporation. It turns out that the naive expectation value of the lifetime with the fermionic correction is infinite. This is a logarithmic divergence that arises from very large excursions in the separation between the branes near the threshold for classical evaporation. The adiabatic behavior lets us get some analytic control of the dynamics in this regime to get this estimate. This divergence is cutoff in the quantum theory due to quantization of the adiabatic parameter, resulting in a long lifetime of the bound state, with a parametric dependence of order log(1/ℏ).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Exotic symmetries, duality, and fractons in 2+1-dimensional quantum field theory

We discuss nonstandard continuum quantum field theories in 2+1 dimensions. They exhibit exotic global symmetries, a subtle spectrum of charged excitations, and dualities similar to dualities of systems in 1+1 dimensions. These continuum models represent the low-energy limits of certain known lattice systems. One key aspect of these continuum field theories is the important role played by discontinuous field configurations. In two companion papers, we will present 3+1-dimensional versions of these systems. In particular, we will discuss continuum quantum field theories of some models of fractons.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Chiral magnetism: a geometric perspective

We discuss a geometric perspective on chiral ferromagnetism. Much like gravity becomes the effect of spacetime curvature in theory of relativity, the Dzyaloshinski-Moriya interaction arises in a Heisenberg model with nontrivial spin parallel transport. The Dzyaloshinskii-Moriya vectors serve as a background SO(3) gauge field. In 2 spatial dimensions, the model is partly solvable when an applied magnetic field matches the gauge curvature. At this special point, solutions to the Bogomolny equation are exact excited states of the model. We construct a variational ground state in the form of a skyrmion crystal and confirm its viability by Monte Carlo simulations. The geometric perspective offers insights into important problems in magnetism, e.g., conservation of spin current in the presence of chiral interactions.

Hill, Daniel↗
DOE OSTI2025

A microscopic realization of dS$_3$

We propose a precise duality between pure de Sitter quantum gravity in 2+1 2 + 1 dimensions and a double-scaled matrix integral. This duality unfolds in two distinct aspects. First, by carefully quantizing the gravitational phase space, we arrive at a novel proposal for the quantum state of the universe at future infinity. We compute cosmological correlators of massive particles in the universe specified by this wavefunction. Integrating these correlators over the metric at future infinity yields gauge-invariant observables, which are identified with the string amplitudes of the complex Liouville string [S. Collier et al., arXiv: 2409.17246]. This establishes a direct connection between integrated cosmological correlators and the resolvents of the matrix integral dual to the complex Liouville string, thereby demonstrating one aspect of the dS _3 3 /matrix integral duality. The second aspect concerns the cosmological horizon of the dS static patch and the Gibbons-Hawking entropy it is conjectured to encode. We show that this entropy can be reproduced exactly by counting the entries of the matrix.

Collier, Scott (ORCID:0000000286476653)↗
DOE OSTI2020

Exotic $U(1)$ symmetries, duality, and fractons in 3+1-dimensional quantum field theory

We extend our exploration of nonstandard continuum quantum field theories in 2+1 2 + 1 dimensions to 3+1 3 + 1 dimensions. These theories exhibit exotic global symmetries, a peculiar spectrum of charged states, unusual gauge symmetries, and surprising dualities. Many of the systems we study have a known lattice construction. In particular, one of them is a known gapless fracton model. The novelty here is in their continuum field theory description. In this paper, we focus on models with a global U(1) U ( 1 ) symmetry and in a followup paper we will study models with a global \mathbb{Z}_N ℤ N symmetry.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Testing and Expertise for Marine Energy (TEAMER) Program Support - Numerical Modeling Assistance for iProTech's "PIP" WEC Device: Cooperative Research and Development Final Report, CRADA Number CRD-20-17303

Develop a time-domain, 3 degree of freedom numerical model of IProTech's PIP device, including power take-off (PTO), that can be used to develop control algorithms and establish a baseline technology performance level (TPL). This is important to IProTech because having a good numerical model allows IProTech to optimize design and control algorithms on an ongoing basis. A baseline TPL enables the PIP technology to be benchmarked against other wave energy converter (WEC) concepts, providing (i) justification (or not) for investment in wave tank model testing, (ii) identifying optimum design parameters and control algorithms for the test model, (iii) specifying test conditions and (iv) interpreting wave tank test results. An accredited WEC-Sim model of the PIP device is an essential tool for further development of the technology. 1) The development of numerical models of the PIP concept will enable iProTech to evaluate the potential performance of this concept, and to investigate how sensitive the device is to different variables within the system (e.g. hydraulic components, geometry dimensions, etc.) 2) The numerical models were developed with WEC-Sim and PTO-Sim -- the de-facto industry standard WEC numerical modeling tools. A detailed model of the system's hydraulic circuit was developed with PTO-Sim. However, WEC-Sim is based on linear hydrodynamics and has several limitations; validation against high fidelity models/physical scale models would help to build confidence in the results.

16 TIDAL AND WAVE POWER↗
DOE OSTI2025

Collaborative Research: Unveiling the Interplay Between Magnetic Reconnection and Turbulence — Theory and Modeling

This is the final technical report for the project "Collaborative Research: Unveiling the Interplay Between Magnetic Reconnection and Turbulence — Theory and Modeling." This project investigated the interplay between two fundamental plasma processes — turbulence and magnetic reconnection — and the associated heating and particle acceleration. In particular, we focused on a new regime where the plasmoid instability mediates the turbulent energy cascade. In this new regime, reconnecting current sheets are disrupted by the growth of plasmoids/flux ropes on time scales shorter than the typical turnover times of eddies, speeding up the energy cascade and steepening the turbulence energy spectrum. This project addressed the following outstanding open questions: (1) What are the fundamental differences between plasmoid‐mediated turbulence cascade in three dimensions (3D) and two dimensions (2D)? (2) What are the essential features of plasmoid‐mediated turbulence in weakly collisional or collisionless regimes beyond resistive MHD? (3) How does the interplay of turbulence and reconnection regulate the energy release and dissipation in space and astrophysical plasmas? To address these questions, we have carried out three investigations: (1) Three-dimensional plasmoid-mediated turbulence energy cascade; (2) plasmoid-mediated reconnection and turbulence in three-dimensional Hall MHD; (3) reconnection and heating in coronal loops. This technical report summarizes the key findings of these investigations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

X-ray Laue Microdiffraction and Raman Spectroscopic Investigation of Natural Silicon and Moissanite

Moissanite, SiC, is an uncommon accessory mineral that forms under low oxygen fugacity. Here, we analyze natural SiC from a Miocene tuff-sandstone using synchrotron Laue microdiffraction and Raman spectroscopy, in order to better understand the SiC phases and formation physics. The studied crystals of SiC consist of 4H- and 6H-SiC domains, formed from either, continuous growth or, in one case, intergrown, together with native Si. The native Si is polycrystalline, with a large crystal size relative to the analytical beam dimensions (>1–2 μm). We find that the intergrown region shows low distortion or dislocation density in SiC, but these features are comparatively high in Si. The distortion/deformation observed in Si may have been caused by a mismatch in the coefficients of thermal expansion of the two materials. Raman spectroscopic measurements are discussed in combination with our Laue microdiffraction results. Our results suggest that these SiC grains likely grew from an igneous melt.

58 GEOSCIENCES↗
DOE OSTI2025

Understanding the limitations and potential of micro tensile testing of tungsten and needs for crystal plasticity modelling

Tungsten is the leading plasma facing material candidate due to its exceptional properties. Understanding the response to neutron irradiation is crucial for the lifetime evaluation of tungsten. The limited space in nuclear reactors and the high levels of radioactivity of the specimens after irradiation are significant barriers to accurately measuring the mechanical properties after neutron irradiation. Testing of micro tensile specimens is one approach to reduce the total amount of irradiated material needed for a set of mechanical testing experiments. However, micro samples are not necessarily measuring the bulk material properties, as size effects produce higher measured mechanical properties than is observed in engineering size counterparts. Determining the minimal sample size for reliable bulk property measurement, combined with modeling efforts, is essential. We conducted room temperature tensile tests on tungsten micro tensile specimens fabricated with focused ion beam, plasma focused ion beam and femto-second laser ablation system to dimension of 2×2×7?µm³, 7×7×18?µm³, and 80×100×233?µm³ (width×thickness×gauge-length), respectively. Elevated tensile testing was performed up to 475°C on 5×5×18?µm³ specimens fabricated with focused ion beam. The smallest specimens exhibited a high degree of ductility and strength, whereas the largest specimens demonstrated behavior akin to bulk tungsten. To investigate the effects introduced by the micro specimen fabrication processes and to obtain the necessary bulk dislocation density for the crystal plasticity model, we employed X-ray diffraction depth profiling. This measurement was performed using different X-ray sources with varying penetration depths. Finally, the potential and limitations of micro mechanical tests for tungsten will be discussed.

36 - MATERIALS SCIENCE↗
DOE OSTI2022

Statistical properties of sites visited by independent random walks

The set of visited sites and the number of visited sites are two basic properties of the random walk trajectory. Here, we consider two independent random walks on hyper-cubic lattices and study ordering probabilities associated with these characteristics. The first is the probability that during the time interval (0, t), the number of sites visited by a walker never exceeds that of another walker. The second is the probability that the sites visited by a walker remain a subset of the sites visited by another walker. Using numerical simulations, we investigate the leading asymptotic behaviors of the ordering probabilities in spatial dimensions d = 1, 2, 3, 4. We also study the time evolution of the number of ties between the number of visited sites. We show analytically that the average number of ties increases as a 1 ln t with a 1 = 0.970 508 in one dimension and as (ln t) 2 in two dimensions.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Naturalness and the muon magnetic moment

We study a predictive model for explaining the apparent deviation of the muon anomalous magnetic moment from the Standard Model expectation. There are no new scalars and hence no new hierarchy puzzles beyond those associated with the Higgs; the only new particles at the TeV scale are vector-like singlet and doublet leptons. Interestingly, this simple model provides a calculable example violating the Wilsonian notion of naturalness: despite the absence of any symmetries prohibiting its generation, the coefficient of the naively leading dimension-six operator for (g – 2) vanishes at one-loop. While effective field theorists interpret this either as a surprising UV cancellation of power divergences, or as a delicate cancellation between matching UV and calculable IR corrections to (g – 2) from parametrically separated scales, there is a simple explanation in the full theory: the loop integrand is a total derivative of a function vanishing in both the deep UV and IR. The leading contribution to (g – 2) arises from dimension-eight operators, and thus the required masses of new fermions are lower than naively expected, with a sizeable portion of parameter space already covered by direct searches at the LHC. The viable parameter space free of fine-tuning for the muon mass will be fully covered by future direct LHC searches, and all of the parameter space can be probed by precision measurements at planned future lepton colliders.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗