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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

Photonic band structures of one-dimensional photonic crystals doped with plasma

The photonic band structures (PBSs) of oblique incidence propagation in one-dimensional plasma-doped photonic crystals (PCs) are investigated carefully. When the lattice constant of plasma-doped PCs is less than the incident wavelength, the PC becomes anisotropic. Therefore, the dielectric constant of PC is converted into a complex tensor dielectric constant. This determines the PBSs of PCs. In the present paper, one-dimensional PCs are taken as an example to study both normal and absorption PBSs. Using both the effective medium approximation and the transfer matrix method, we can derive the dispersion relation for PCs. The dependence of the plasma filling factor on the effective dielectric constant and PBSs is calculated and discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Fermionic systems for quantum information people

The operator algebra of fermionic modes is isomorphic to that of qubits, the difference between them is twofold: the embedding of subalgebras corresponding to mode subsets and multiqubit subsystems on the one hand, and the parity superselection in the fermionic case on the other. We discuss these two fundamental differences extensively, and illustrate these through the Jordan–Wigner representation in a coherent, self-contained, pedagogical way, from the point of view of quantum information theory. Our perspective leads us to develop useful new tools for the treatment of fermionic systems, such as the fermionic (quasi-)tensor product, fermionic canonical embedding, fermionic partial trace, fermionic products of maps and fermionic embeddings of maps. We formulate these by direct, easily applicable formulas, without mode permutations, for arbitrary partitionings of the modes. It is also shown that fermionic reduced states can be calculated by the fermionic partial trace, containing the proper phase factors. We also consider variants of the notions of fermionic mode correlation and entanglement, which can be endowed with the usual, local operation based motivation, if the parity superselection rule is imposed. We also elucidate some other fundamental points, related to joint map extensions, which make the parity superselection inevitable in the description of fermionic systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Exploiting Kronecker structure in exponential integrators: Fast approximation of the action of φ $-$functions of matrices via quadrature

Here, in this article, we propose an algorithm for approximating the action of φ $-$ functions of matrices against vectors, which is a key operation in exponential time integrators. In particular, we consider matrices with Kronecker sum structure, which arise from problems admitting a tensor product representation. The method is based on quadrature approximations of the integral form of the φ $-$ functions combined with a scaling and modified squaring method. Owing to the Kronecker sum representation, only actions of 1D matrix exponentials are needed at each quadrature node and assembly of the full matrix can be avoided. Additionally, we derive a priori bounds for the quadrature error, which show that, as expected by classical theory, the rate of convergence of our method is supergeometric. Guided by our analysis, we construct a fast and robust method for estimating the optimal scaling factor and number of quadrature nodes that minimizes the total cost for a prescribed error tolerance. We investigate the performance of our algorithm by solving several linear and semilinear time-dependent problems in 2D and 3D. The results show that our method is accurate and orders of magnitude faster than the current state-of-the-art.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

BitGNN: Unlocking the Performance Potential of Binary Graph Neural Networks on GPUs

Graph Neural Networks (GNNs) have shown compelling results in many graph-based learning tasks. They are, however, time-consuming. Recent work has shown a promising direction in improving GNN speed and shrinking the size — network binarization, which binarizes network values and operations. Prior work, however, mainly focused on algorithm designs, leaving it open on how to fully materialize the performance potential. This work fills the gap by proposing techniques to best map binary GNNs and their computations to fit the nature of bit manipulations, optimizations and algorithms to maximize BSpMM kernel efficiency, and solutions to other factors influencing the end-to-end time on GPUs. Results on real-world graphs show that the proposed techniques outperform state of-the-art binary GNN implementations by 21-67× with little accuracy loss.

Chen, Jou-An↗
NASA NTRS2015

Scaling of Magnetic Reconnection in Relativistic Collisionless Pair Plasmas

Using fully kinetic simulations, we study the scaling of the inflow speed of collisionless magnetic reconnection in electron-positron plasmas from the non-relativistic to ultra-relativistic limit. In the anti-parallel configuration, the inflow speed increases with the upstream magnetization parameter sigma and approaches the speed of light when sigma is greater than O(100), leading to an enhanced reconnection rate. In all regimes, the divergence of the pressure tensor is the dominant term responsible for breaking the frozen-in condition at the x-line. The observed scaling agrees well with a simple model that accounts for the Lorentz contraction of the plasma passing through the diffusion region. The results demonstrate that the aspect ratio of the diffusion region, modified by the compression factor of proper density, remains approximately 0.1 in both the non-relativistic and relativistic limits.

plasma↗
DOE OSTI2018

Longitudinal spin asymmetries in polarized deuteron DIS with spectator tagging

Polarized electron-deuteron DIS with spectator proton tagging offers a way of measuring the neutron spin structure functions with maximal theoretical control of nuclear effects. We calculate the nuclear structure factors in the longitudinal double-spin asymmetries using methods of light-front nuclear structure. A unique feature of the spin-1 system is that spin asymmetries can be formed either relative to the cross section in all three spin states (lambda_d = +/-1, 0) or in the two maximum-spin states only (+/-1, involving tensor polarization). We find that the two-state deuteron spin asymmetry at small spectator proton momenta permits accurate extraction of the neutron structure function g_{1n}. Such measurements could be performed at a future electron-ion collider (EIC) with polarized deuteron beams and suitable forward detectors.

Cosyn, Wim↗
DOE OSTI2011

Numerical Methods for Large-Scale Data Factorization (Final Report (Milestone Date 9/30/11) for Subcontract No. B594099)

The following work has been performed by PI Hans De Sterck and graduate student Manda Winlaw for the required tasks 1-5 (as listed in the Statement of Work). Graduate student Manda Winlaw has visited LLNL January 31-March 11, 2011 and May 23-August 19, 2010, working with Van Henson and Mike O'Hara on non-negative matrix factorizations (NMF). She has investigated the dense subgraph clustering algorithm from 'Finding Dense Subgraphs for Sparse Undirected, Directed, and Bipartite Graphs' by Chen and Saad, testing this method on several term-document matrices and adapting it to cluster based on the rank of the subgraphs instead of the density. Manda Winlaw was awarded a first prize in the annual LLNL summer student poster competition for a poster on her NMF research. PI Hans De Sterck has developed a new adaptive algebraic multigrid algorithm for computing a few dominant or minimal singular triplets of sparse rectangular matrices. This work builds on adaptive algebraic multigrid methods that were further developed by the PI and collaborators (including Sanders and Henson) for Markov chains. The method also combines and extends existing multigrid algorithms for the symmetric eigenproblem. The PI has visited LLNL February 22-25, 2011, and has given a CASC seminar 'Algebraic Multigrid for the Singular Value Problem' on this work on February 23, 2011. During his visit, he has discussed this work and related topics with Van Henson, Geoffrey Sanders, Panayot Vassilevski, and others. He has tested the algorithm on PDE matrices and on a term-document matrix, with promising initial results. Manda Winlaw has also started to work, with O'Hara, on estimating probability distributions over undirected graph edges. The goal is to estimate probabilistic models from sets of undirected graph edges for the purpose of prediction, anomaly detection and support to supervised learning. Graduate student Manda Winlaw is writing a paper on the results obtained with O'Hara which will be submitted some time later in 2011 to a data mining conference. PI Hans De Sterck has developed a new optimization algorithm for canonical tensor approximation, formulating an extension of the nonlinear GMRES method to optimization problems. Numerical results for tensors with up to 8 modes show that this new method is efficient for sparse and dense tensors. He has written a paper on this which has been submitted to the SIAM Journal on Scientific Computing. PI Hans De Sterck has further developed his new optimization algorithm for canonical tensor approximation, formulating an extension in terms of steepest-descent preconditioning, which makes the approach generally applicable for nonlinear optimization. He has written a paper on this extension which has been submitted to Numerical Linear Algebra with Applications.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Apparent Explosion Moments from Rg Waves Recorded on SPE

Seismic moments for the first four chemical tests making up phase I of the Source Physics Experiments (SPE) are estimated from 6-Hz Rg waves recorded along a single radial line of geophones under the assumption that the tests are pure explosions. These apparent explosion moments are compared with moments determined from the reduced displacement potential method applied to free-field data. Light detection and ranging (lidar) observations, strong ground motions on the free surface in the vicinity of ground zero, and moment tensor inversion results are evidence that the fourth test SPE-4P is a pure explosion, and the moments show good agreement, 8×10 10 N·m for free-field data versus 9×10 10 N·m for Rg waves. In stark contrast, apparent moments for the first three tests are smaller than near-field moments by factors of 3–4. Relative amplitudes for the three tests determined from Rg interferometry using SPE-4P as an empirical Green’s function indicate that radiation patterns are cylindrically symmetric within a factor of 1.25 (25%). This fact assures that the apparent moments are reliable even though they were measured on just one azimuth. Spallation occurred on the first three tests, and ground-based lidar detected permanent deformations. As such, the source medium suffered late-time damage. In conclusion, destructive interference between Rg waves radiated by explosion and damage sources will reduce amplitudes and explain why apparent moments are smaller than near-field moments based on compressional energy emitted directly from the source.

47 OTHER INSTRUMENTATION↗
DOE OSTI2017

In Silico Design of DNP Polarizing Agents: Can Current Dinitroxides Be Improved?

Numerical calculations of enhancement factors offered by dynamic nuclear polarization in solids under magic angle spinning (DNP-MAS) were performed to determine the optimal EPR parameters for a dinitroxide polarizing agent. We found that the DNP performance of a biradical is more tolerant to the relative orientation of the two nitroxide moieties than previously thought. In general, any condition in which the gyy tensor components of both radicals are perpendicular to one another is expected to have near-optimal DNP performance. These results highlight the important role of the exchange coupling, which can lessen the sensitivity of DNP performance to the inter-radical distance, but also lead to lower enhancements when the number of atoms in the linker becomes less than three. Finally, the calculations showed that the electron T1e value should be near 500μs to yield optimal performance. Importantly, the newest polarizing agents already feature all of the qualities of the optimal polarizing agent, leaving little room for further improvement. Further research into DNP polarizing agents should then target non-nitroxide radicals, as well as improvements in sample formulations to advance high-temperature DNP and limit quenching and reactivity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

An NV − center in magnesium oxide as a spin qubit for hybrid quantum technologies

Recent predictions suggest that oxides, such as MgO and CaO, could serve as hosts of spin defects with long coherence times and thus be promising materials for quantum applications. However, in most cases, specific defects have not yet been identified. Here, by using a high-throughput first-principles framework and advanced electronic structure methods, we identify a negatively charged complex between a nitrogen interstitial and a magnesium vacancy in MgO with favorable electronic and optical properties for hybrid quantum technologies. We show that this NV − center has stable triplet ground and excited states, with singlet shelving states enabling optical initialization and spin-dependent readout. We predict several properties, including absorption, emission, and zero-phonon line energies, as well as zero-field splitting tensor, and hyperfine interaction parameters, which can aid in the experimental identification of this defect. Our calculations show that due to a strong pseudo-Jahn Teller effect and low-frequency phonon modes, the NV − center in MgO is subject to a substantial vibronic coupling. We discuss design strategies to reduce such coupling and increase the Debye-Waller factor, including the effect of strain and the localization of the defect states. We propose that the favorable properties of the NV − defect, along with the technological maturity of MgO, could enable hybrid classical-quantum applications, such as spintronic quantum sensors and single qubit gates.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Lattice Calculations of Nucleon Form Factors

We present recent results of calculation of the isovector electromagnetic and axial form factors of the nucleon using lattice QCD with three different lattice actions and pion masses down to m{sub {pi}} > or approx. 300 MeV. Because of the precision of our high-statistics calculations, we can test predictions of baryon chiral perturbation theory for the charge and axial radii of the nucleon. We find that currently available baryon ChPT calculations disagree with our data, indicating that the corresponding effective theory approximations are not valid above m{sub {pi}{approx_equal}3}00 MeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Stress inside the pion in holographic light-front QCD

In this work, we propose a method to compute the gravitational form factor D ( Q 2 ) in holographic QCD by exploiting the remarkable correspondence between semiclassical light-front QCD and semiclassical field theories in wrapped spacetime in five dimensions. The use of light-front holography bridges physics at large Q 2 as attained in light-front QCD and physics at small Q 2 where the coupling to scalar and tensor fields, e.g. glueballs, are dominant. As an application, we compute the D -term for the pion and compare the results with recent lattice simulations. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
NASA NTRS1980

Determination of efficiencies, loss mechanisms, and performance degradation factors in chopper controlled dc vehical motors. Section 2: The time dependent finite element modeling of the electromagnetic field in electrical machines: Methods and applications

The time dependent solution of the magnetic field is introduced as a method for accounting for the variation, in time, of the machine parameters in predicting and analyzing the performance of the electrical machines. The method of time dependent finite element was used in combination with an also time dependent construction of a grid for the air gap region. The Maxwell stress tensor was used to calculate the airgap torque from the magnetic vector potential distribution. Incremental inductances were defined and calculated as functions of time, depending on eddy currents and saturation. The currents in all the machine circuits were calculated in the time domain based on these inductances, which were continuously updated. The method was applied to a chopper controlled DC series motor used for electric vehicle drive, and to a salient pole sychronous motor with damper bars. Simulation results were compared to experimentally obtained ones.

Hamilton, H. B.↗
DOE OSTI2023

High-throughput ab initio design of atomic interfaces using InterMatch

Forming a hetero-interface is a materials-design strategy that can access an astronomically large phase space. However, the immense phase space necessitates a high-throughput approach for an optimal interface design. Here we introduce a high-throughput computational framework, InterMatch, for efficiently predicting charge transfer, strain, and superlattice structure of an interface by leveraging the databases of individual bulk materials. Specifically, the algorithm reads in the lattice vectors, density of states, and the stiffness tensors for each material in their isolated form from the Materials Project. From these bulk properties, InterMatch estimates the interfacial properties. We benchmark InterMatch predictions for the charge transfer against experimental measurements and supercell density-functional theory calculations. We then use InterMatch to predict promising interface candidates for doping transition metal dichalcogenide MoSe 2 . Finally, we explain experimental observation of factor of 10 variation in the supercell periodicity within a few microns in graphene/α-RuCl 3 by exploring low energy superlattice structures as a function of twist angle using InterMatch. We anticipate our open-source InterMatch algorithm accelerating and guiding ever-growing interfacial design efforts. Moreover, the interface database resulting from the InterMatch searches presented in this paper can be readily accessed online.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Plasma transport in an Eulerian AMR code

A plasma transport model has been implemented in an Eulerian AMR radiation-hydrodynamics code, xRage, which includes plasma viscosity in the momentum tensor, viscous dissipation in the energy equations, and binary species mixing with consistent species mass and energy fluxes driven by concentration gradients, ion and electron baro-diffusion terms and temperature gradient forces. The physics basis, computational issues, numeric options, and results from several test problems are discussed. The transport coefficients are found to be relatively insensitive to the kinetic correction factors when the concentrations are expressed with the molar fractions and the ion mass differences are large. The contributions to flow dynamics from plasma viscosity and mass diffusion were found to increase significantly as scale lengths decrease in an inertial confinement fusion relevant Kelvin-Helmholtz instability mix layer. The mixing scale lengths in the test case are on the order of 100 μm and smaller for viscous effects to appear and 10 μm or less for significant ion species diffusion, evident over durations on the order of nanoseconds. The temperature gradient driven mass flux is seen to deplete a high Z tracer ion at the ion shock front. The plasma transport model provides the generation of the atomic mix per unit of interfacial area between two species with no free parameters. The evolution of the total atomic mix then depends also on an accurate resolution or estimate of the interfacial area between the species mixing by plasma transport. High resolution simulations or a more Lagrangian-like treatment of species interfaces may be required to distinguish plasma transport and numerical diffusion in an Eulerian computation of complex and dynamically evolving mix regions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

GFiRe—Gauge Field integrator for Reheating

We present a new numerical algorithm and code, GFiRe, for solving the nonlinear evolution of Abelian gauge fields coupled to complex scalar fields in homogeneous and isotropic spacetimes. We adopt a hybrid approach to solving the system: the spatial derivatives are discretized using standard Lattice Gauge Field Theory techniques, whereas the time evolution of the fields and scale factor is implemented with explicit, composite, symplectic integrators. An important property of our compound algorithm is that the discretized Gauss constraint is respected exactly, regardless of the order of the symplectic integrator. This remains true even when the background expansion is computed “self-consistently”; that is, when the expansion history is computed using spatial averaged components of the energy momentum tensor in the simulation volume. Hence, our code can also be used in cases where the fields dominate the energy density of the universe, for example, during reheating after inflation. We test the algorithm in scenarios of reheating where the inflaton is a complex scalar field with a potential ∝(2|Φ| 2 - v 2 ) 2 and is coupled to an Abelian gauge field. Tracing the evolution of the system through complex dynamics (including resonant excitation of fields, backreaction, formation of solitons, and changes in the equation of state) in a self-consistently expanding universe, we find the energy conservation violation (<10 -4 ) to be very stable and the Gauss constraint violation (<10 -6 ) to be dominated by differencing noise.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

FLAG review 2024

We review lattice results related to pion, kaon, 𝐷-meson, 𝐵-meson, and nucleon physics with the aim of making them easily accessible to the nuclear and particle physics communities. More specifically, we report on the determination of the light-quark masses, the form factor 𝑓+⁡(0) arising in the semileptonic 𝐾 → 𝜋 transition at zero momentum transfer, as well as the decay-constant ratio 𝑓 𝐾 ⁡/𝑓 𝜋 and its consequences for the Cabibbo–Kobayashi–Maskawa (CKM) matrix elements 𝑉 𝑢⁢𝑠 and 𝑉 𝑢⁢𝑑 . We review the determination of the 𝐵 𝐾 parameter of neutral kaon mixing as well as the additional four 𝐵 parameters that arise in theories of physics beyond the Standard Model. For the heavy-quark sector, we provide results for 𝑚 𝑐 and 𝑚 𝑏 as well as those for the decay constants, form factors, and mixing parameters of charmed and bottom mesons and baryons. These are the heavy-quark quantities most relevant for the determination of CKM matrix elements and the global CKM unitarity-triangle fit. We review the status of lattice determinations of the strong coupling constant 𝛼 𝑠 . We review the determinations of nucleon charges from the matrix elements of both isovector and flavor-diagonal axial, scalar and tensor local quark bilinears, and momentum fraction, helicity moment and the transversity moment from one-link quark bilinears. We also review determinations of scale-setting quantities. Finally, in this review we have added a new section on the general definition of the low-energy limit of the Standard Model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Reduced order models for thermal radiative transfer problems based on moment equations and data-driven approximations of the Eddington tensor

Here a new group of structure and asymptotic preserving reduced-order models (ROMs) for multidimensional nonlinear thermal radiative transfer (TRT) problems is presented. They are formulated by means of the nonlinear projective approach and data compression techniques. The nonlinear projection is applied to the Boltzmann transport equation (BTE) to derive a hierarchy of low-order moment equations. Approximation of the Eddington tensor that provides exact closure for the system of moment equations is found with projection-based data-driven methodologies. These include the (i) proper orthogonal decomposition (POD), (ii) dynamic mode decomposition (DMD) and (iii) a variant of the DMD. A parameterization is derived for this ROM for the temperature of radiation incoming to the problem domain (the radiation drive temperature). This parameterization is informed from results of a dimensionless study of the TRT problem. Analysis of the ROMs is performed on the classical Fleck-Cummings TRT multigroup test problem in 2D geometry with a radiation-driven Marshak wave. Numerical results are presented to demonstrate the performance of these ROMs for the simulation of evolving radiation and heat waves. Results show these models to be sufficiently accurate for practical computations with rather low-rank representations of the Eddington tensor. As the rank of the approximation is increased, the errors of solutions generated by the ROMs gradually decreases.

42 ENGINEERING↗