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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 1,297 records · Page 72
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Quantum model learning agent: characterisation of quantum systems through machine learning

Accurate models of real quantum systems are important for investigating their behaviour, yet are difficult to distil empirically. Here, we report an algorithm—the quantum model learning agent (QMLA)—to reverse engineer Hamiltonian descriptions of a target system. We test the performance of QMLA on a number of simulated experiments, demonstrating several mechanisms for the design of candidate Hamiltonian models and simultaneously entertaining numerous hypotheses about the nature of the physical interactions governing the system under study. QMLA is shown to identify the true model in the majority of instances, when provided with limited a priori information, and control of the experimental setup. Our protocol can explore Ising, Heisenberg and Hubbard families of models in parallel, reliably identifying the family which best describes the system dynamics. We demonstrate QMLA operating on large model spaces by incorporating a genetic algorithm to formulate new hypothetical models. The selection of models whose features propagate to the next generation is based upon an objective function inspired by the Elo rating scheme, typically used to rate competitors in games such as chess and football. In all instances, our protocol finds models that exhibit F 1 score ≥ 0.88 when compared with the true model, and it precisely identifies the true model in 72% of cases, whilst exploring a space of over 250 000 potential models. By testing which interactions actually occur in the target system, QMLA is a viable tool for both the exploration of fundamental physics and the characterisation and calibration of quantum devices.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Direct observation of strong momentum-dependent electron-phonon coupling in a metal

Phonon scattering in metals is one of the most fundamental processes in materials science. However, understanding such processes has remained challenging and requires detailed information on interactions between phonons and electrons. We use an ultrafast electron diffuse scattering technique to resolve the nonequilibrium phonon dynamics in femtosecond–laser-excited tungsten in both time and momentum. We determine transient populations of phonon modes which show strong momentum dependence initiated by electron-phonon coupling. For phonons near Brillouin zone border, we observe a transient rise in their population on a timescale of approximately 1 picosecond driven by the strong electron-phonon coupling, followed by a slow decay on a timescale of approximately 8 picosecond governed by the weaker phonon-phonon relaxation process. We find that the exceptional harmonicity of tungsten is needed for isolating the two processes, resulting in long-lived nonequilibrium phonons in a pure metal. Our finding highlights that electron-phonon scattering can be the determinant factor in the phonon thermal transport of metals.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Effect of Electronic Inertia on the Gravito-Electrostatic Sheath Structure Formation

The gravito-electrostatic sheath (GES) model, previously proposed to address the fundamental issues on the surface emission mechanism of outflowing solar plasma on the basis of plasma−wall interaction processes with inertialess electrons on both bounded and unbounded scales, is reformulated in the light of active electron inertial response amid geometrical curvature effects. We accordingly derive the electron population distribution law considering both weak electron inertia and geometrical curvature effects in a new analytic construct coupled with the GES structure equations in a closed form. The analysis shows that the GES characteristics and hence plasma outflow dynamics are noticeably affected because of electron inertia. As a consequence of the electron inertia inclusion in contrast with the previous GES formalism, it is found that the GES width gets reduced (–5%), the sheath boundary gets contracted (–7%), the net current density at the surface gets reduced (–25%), the GES potential enhances (+17%), the transonic horizon decreases (‒35%), self-gravity enhances (+2%), and so forth. The obtained results are in fair accord with the existing model predictions centered around both the earlier GES formalisms and standard fluid-kinetic predictions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Algorithms for propagating uncertainty across heterogeneous domains

We address an important research area in stochastic multi-scale modeling, namely the propagation of uncertainty across heterogeneous domains characterized by partially correlated processes with vastly different correlation lengths. This class of problems arise very often when computing stochastic PDEs and particle models with stochastic/stochastic domain interaction but also with stochastic/deterministic coupling. The domains may be fully embedded, adjacent or partially overlapping. The fundamental open question we address is the construction of proper transmission boundary conditions that preserve global statistical properties of the solution across different subdomains. Often, the codes that model different parts of the domains are black-box and hence a domain decomposition technique is required. No rigorous theory or even effective empirical algorithms have yet been developed for this purpose, although interfaces defined in terms of functionals of random fields (e.g., multi-point cumulants) can overcome the computationally prohibitive problem of preserving sample-path continuity across domains. The key idea of the different methods we propose relies on combining local reduced-order representations of random fields with multi-level domain decomposition. Specifically, we propose two new algorithms: The first one enforces the continuity of the conditional mean and variance of the solution across adjacent subdomains by using Schwarz iterations. The second algorithm is based on PDE-constrained multi-objective optimization, and it allows us to set more general interface conditions. The effectiveness of these new algorithms is demonstrated in numerical examples involving elliptic problems with random diffusion coefficients, stochastically advected scalar fields, and nonlinear advection-reaction problems with random reaction rates.

Cho, Heyrim↗
DOE OSTI2023

Laser Ablation Plasmas and Spectroscopy for Nuclear Applications

The development of measurement methodologies to detect and monitor nuclear-relevant materials remains a consistent and significant interest across the nuclear energy, nonproliferation, safeguards, and forensics communities. Optical spectroscopy of laser-produced plasmas is becoming an increasingly popular diagnostic technique to measure radiological and nuclear materials in the field without sample preparation, where current capabilities encompass the standoff, isotopically resolved and phase-identifiable (e.g., UO and UO[Formula: see text]) detection of elements across the periodic table. These methods rely on the process of laser ablation (LA), where a high-powered pulsed laser is used to excite a sample (solid, liquid, or gas) into a luminous microplasma that rapidly undergoes de-excitation through the emission of electromagnetic radiation, which serves as a spectroscopic fingerprint for that sample. This review focuses on LA plasmas and spectroscopy for nuclear applications, covering topics from the wide-area environmental sampling and atmospheric sensing of radionuclides to recent implementations of multivariate machine learning methods that work to enable the real-time analysis of spectrochemical measurements with an emphasis on fundamental research and development activities over the past two decades. Background on the physical breakdown mechanisms and interactions of matter with nanosecond and ultrafast laser pulses that lead to the generation of laser-produced microplasmas is provided, followed by a description of the transient spatiotemporal plasma conditions that control the behavior of spectroscopic signatures recorded by analytical methods in atomic and molecular spectroscopy. High-temperature chemical and thermodynamic processes governing reactive LA plasmas are also examined alongside investigations into the condensation pathways of the plasma, which are believed to serve as chemical surrogates for fallout particles formed in nuclear fireballs. Laser-supported absorption waves and laser-induced shockwaves that accompany LA plasmas are also discussed, which could provide insights into atmospheric ionization phenomena from strong shocks following nuclear detonations. Furthermore, the standoff detection of trace radioactive aerosols and fission gases is reviewed in the context of monitoring atmospheric radiation plumes and off-gas streams of molten salt reactors. Finally, concluding remarks will present future outlooks on the role of LA plasma spectroscopy in the nuclear community.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

Hydrogen Embrittlement of Pipeline Steels: Causes and Remediation

Fundamental studies of hydrogen embrittlement of materials using both experimental observations and numerical simulations of the hydrogen/deformation interactions have been conducted. Our approach integrates mechanical property testing at the macro-scale, microstructural analyses and TEM observations of the deformation processes at the micro- and nano-scale, first-principles calculations of interfacial cohesion at the atomic scale, and finite element simulation and modeling at the micro- and macro-level. Focused Ion Beam machining in conjunction with Transmission Electron Microscopy were used to identify the salient micro-mechanisms of failure in the presence of hydrogen. Our analysis of low strength ferritic steels led to the discovery that “quasi-cleavage” is a dislocation plasticity controlled failure mode in agreement with the hydrogen enhanced plasticity mechanism. The microstructure underneath the fracture surface of 304 and 316 stainless steels was found to be significantly more complex than would have been predicted by the traditional models of fatigue. The general refinement of the microstructure that occurred near the fracture surface in the presence of hydrogen was such that one may argue that hydrogen stabilizes microstructural configurations to an extent not achievable in its absence. Finite element studies of hydrogen and deformation field similitude for cracks in real-life pipelines and laboratory fracture specimens yielded that the Single Edge Notch Tension specimen can be used to reliably study hydrogen material compatibility for pipeline structures. In addition, simulation of onset of crack propagation in low strength ferritic systems by void growth indicated that hydrogen can reduce the fracture toughness of the material by as much as 30%. Both experimental observations and numerical studies of hydrogen transport on hydrogen accumulations ahead of a crack tip yielded that dislocation transport can markedly enhance hydrogen populations which in turn can trigger fracture initiation.

08 HYDROGEN↗
DOE OSTI2016

Measurement of the Charged-Current Quasi-Elastic Cross-Section for Electron Neutrinos on a Hydrocarbon Target

Appearance-type neutrino oscillation experiments, which observe the transition from muon neutrinos to electron neutrinos, promise to help answer some of the fundamental questions surrounding physics in the post-Standard-Model era. Because they wish to observe the interactions of electron neutrinos in their detectors, and because the power of current results is typically limited by their systematic uncertainties, these experiments require precise estimates of the cross-section for electron neutrino interactions. Of particular interest is the charged-current quasi-elastic (CCQE) process, which gures signi cantly in the composition of the reactions observed at the far detector. However, no experimental measurements of this crosssection currently exist for electron neutrinos; instead, current experiments typically work from the abundance of muon neutrino CCQE cross-section data and apply corrections from theoretical arguments to obtain a prediction for electron neutrinos. Veri cation of these predictions is challenging due to the di culty of constructing an electron neutrino beam, but the advent of modern high-intensity muon neutrino beams|together with the percent-level electron neutrino impurity inherent in these beams| nally presents the opportunity to make such a measurement. We report herein the rst-ever measurement of a cross-section for an exclusive state in electron neutrino scattering, which was made using the MINER A detector in the NuMI neutrino beam at Fermilab. We present the electron neutrino CCQE di erential cross-sections, which are averaged over neutrinos of energies 1-10 GeV (with mean energy of about 3 GeV), in terms of various kinematic variables: nal-state electron angle, nal-state electron energy, and the square of the fourmomentum transferred to the nucleus by the neutrino , Q 2 . We also provide a total cross-section vs. neutrino energy. While our measurement of this process is found to be in agreement with the predictions of the GENIE event generator, we also report on an unpredicted photon-like process we observe in a similar kinematic regime. The absence of this process from models for neutrino interactions is a potential stumbling block for future on-axis neutrino oscillation experiments. We include kinematic and particle species identi cation characterizations which can be used in building models to help address this shortcoming.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Measurement of New Observables from the pi+pi- Electroproduction off the Proton

Knowledge of the Universe as constructed by human beings, in order to tackle its complexity, can be thought to be organized at varying scales at which it is observed. Implicit in such an approach is the idea of a smooth evolution of knowledge between scales and, therefore, access to how Nature constructs the visible Universe beginning from its most fundamental constituents. New and, in a sense, fundamental phenomena may typically be emergent as the scale of observation changes. The study of the Strong Interaction, which is responsible for the construction of the bulk of the visible matter in the Universe (98% by mass), in this sense, is a labor of exploring evolutions and unifying aspects of its knowledge found at varying scales ranging from interaction of quarks and gluons as represented by the theory of Quantum Chromodynamics (QCD) at small space-time scale to emerging dressed quark and even meson-baryon degrees of freedom mostly described by effective models as the space-time scale increases. A direct effort to study the Strong Interaction over this scale forms the basis of an international collaborative effort often referred to as the N* program. The core work of this thesis is an experimental analysis prompted by the need to measure experimental observables that are of particular interest to the theory-experiment epistemological framework of this collaboration. While the core of this thesis, therefore, discusses the nature of the experimental analysis and presents its results which will serve as input to the N* program's epistemological framework, the particular nature of this framework in the context of not only the Strong Interaction, but also that of the physical science and human knowledge in general will be used to motivate and introduce the experimental analysis and its related observables.

Trivedi, Arjun↗
DOE OSTI2019

Precision Measurements with Low Energy Neutrons (Final Report)

This project encompassed fives years of effort in three areas of precision measurements with low energy neutrons: a) hadronic weak interactions, b) decay correlations, and c) electric dipole moment. These experiments encompass the scientific program of the Fundamental Neutron Physics Beamline (FnPB) at the SNS, ORNL. This grant supported our responsibilities in each of the approved experiments at the FnPB (in order of schedule): NPDGamma (post run), n- 3 He (taking data), Nab (Jan 2016), and nEDM, in addition to the BL3 beamline lifetime experiment at NIST. We focused on three principal activities: a) development of techniques for the design a fabrication of low-field precision surface current electromagnetic coils, b) development of high-speed digital acquisition systems involving real-time digital pulse processing, and high-volume offline waveform processing, and c) experimental data analysis.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Grid-Scale Battery Storage: Frequently Asked Questions

As costs continue to decline, jurisdictions are seeking to deploy increasing levels of utility-scale battery energy storage. This Greening the Grid document provides system planners and regulators with fundamental information about battery energy storage including which services these devices are capable of, how these devices interact with renewable energy and what barriers exist to their broader deployment.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

Kinetic effects of self-organization in low-temperature magnetized plasmas (Final Report for DE-SC0019045: 9/1/2018-8/31/2019)

The research goal of this Early Career Research Program project is to advance the science of low temperature magnetized plasmas using first-principles kinetic, e.g., solving the Boltzmann equation, models. A better understanding of the plasma transport properties, such as electrical resistivity and thermal conductivity must be obtained to better control and design magnetized plasma sources. A key physical phenomenon in low-temperature magnetized plasmas is the self-organization of plasma flows, e.g., coherent plasma structures and transition between different discharge modes. Understanding the physics of coherent plasma structures has been identified as one of the four important frontier topics in a recent workshop by the Office of Fusion Energy Science. These self-emerging plasma patterns results from the nonlinear coupling between plasma constituents (ions, electrons, and neutral atoms), electromagnetic fields, and materials. The physics of low-temperature magnetized plasmas is particularly complex because (i) the collisionless instabilities affect collisional phenomena (ionization, transport, etc.) and vice versa and (ii) the presence of materials (sheath, electron injection, etc.) influences the bulk plasma properties in low-temperature plasma (LTP) devices. Computational models of these plasma flows remain challenging because the plasma density can vary several orders of magnitudes, a wide range of temporal and spatial scales must be resolved, the phenomena are inherently three-dimensional, and various physical processes, such as wall interaction, instabilities, inelastic collisions, etc., must be simultaneously and self-consistently taken into account. Understanding the fundamental transport mechanisms in cross-field configurations enables additional controllability of plasma properties and electron energy distribution functions (EEDFs).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Higher Order Multipole Analysis of Beam Crabbing Mode at 197 MHz for Electron-Ion Collider

In the local crabbing scheme for Electron Ion Collider interaction region, beam rotation is initiated by one set of crab cavities at a high beta region with near 90 deg phase advance to the interaction point (IP), and ceased by an identical set of cavities on the symmetrically opposite side. The fundamental mode of all crab cavities is designed to apply a momentum kick to the particle bunches to complete this half cycle of rotation in the horizontal plane, meanwhile the electromagnetic (EM) field can be expanded into a series of harmonics. Despite the lowest dipole mode, higher harmonics cause instabilities during beam operation and loss of particles. We used SimTrack, which is the 6-d symplectic element-by-element tracking code developed at Brookhaven National Laboratory in 2015, to study the threshold of each higher-order harmonic multipolar mode with the criteria of maintaining a dynamic aperture of 6 σ or greater for the Hadron Storage Ring (HSR). In this paper, we showed the threshold for each higher harmonic multipole and their comparison with the multipole strength for the current crab cavity design.

43 PARTICLE ACCELERATORS↗
DOE OSTI2018

Consequences of fine-tuning for fifth force searches

Light bosonic fields mediate long range forces between objects. If these fields have self-interactions, i.e., non-quadratic terms in the potential, the experimental constraints on such forces can be drastically altered due to a screening (chameleon) or enhancement effect. We explore how technically natural values for such self-interaction coupling constants modify the existing constraints. We point out that assuming the existence of these natural interactions leads to new constraints, contrary to the usual expectation that screening leads to gaps in coverage. We discuss how screening can turn fundamentally equivalence principle (EP)-preserving forces into EP-violating ones. This means that when natural screening is present, searches for EP violation can be used to constrain EP-preserving forces. We show how this effect enables the recently discovered stellar triple system PSR J0337+1715 to place a powerful constraint on EP-preserving fifth forces. Finally, we demonstrate that technically natural cubic self-interactions modify the vacuum structure of the scalar potential, leading to new constraints from spontaneous and induced vacuum decay.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Long-Lived Charge Separation at Heterojunctions between Semiconducting Single-Walled Carbon Nanotubes and Perylene Diimide Electron Acceptors

Nonfullerene electron acceptors have facilitated a recent surge in the efficiencies of organic solar cells, although fundamental studies of the nature of exciton dissociation at interfaces with nonfullerene electron acceptors are still relatively sparse. Semiconducting single-walled carbon nanotubes (s-SWCNTs), unique one-dimensional electron donors with molecule-like absorption and highly mobile charges, provide a model system for studying interfacial exciton dissociation. Here, we investigate excited-state photodynamics at the heterojunction between (6,5) s-SWCNTs and two perylene diimide (PDI)-based electron acceptors. Each of the PDI-based acceptors, hPDI2-pyr-hPDI2 and Trip-hPDI2, is deposited onto (6,5) s-SWCNT films to form a heterojunction bilayer. Transient absorption measurements demonstrate that photoinduced hole/electron transfer occurs at the photoexcited bilayer interfaces, producing long-lived separated charges with lifetimes exceeding 1.0 us. Both exciton dissociation and charge recombination occur more slowly for the hPDI2-pyr-hPDI2 bilayer than for the Trip-hPDI2 bilayer. To explain such differences, we discuss the potential roles of the thermodynamic charge transfer driving force available at each interface and the different molecular structure and intermolecular interactions of PDI-based acceptors. As a result, detailed photophysical analysis of these model systems can develop the fundamental understanding of exciton dissociation between organic electron donors and nonfullerene acceptors, which has not been systematically studied.

14 SOLAR ENERGY↗
DOE OSTI2017

ISAVS: Interactive Scalable Analysis and Visualization System

Modern science is inundated with ever increasing data sizes as computational capabilities and image acquisition techniques continue to improve. For example, simulations are tackling ever larger domains with higher fidelity, and high-throughput microscopy techniques generate larger data that are fundamental to gather biologically and medically relevant insights. As the image sizes exceed memory, and even sometimes local disk space, each step in a scientific workflow is impacted. Current software solutions enable data exploration with limited interactivity for visualization and analytic tasks. Furthermore analysis on HPC systems often require complex hand-written parallel implementations of algorithms that suffer from poor portability and maintainability. We present a software infrastructure that simplifies end-to-end visualization and analysis of massive data. First, a hierarchical streaming data access layer enables interactive exploration of remote data, with fast data fetching to test analytics on subsets of the data. Second, a library simplifies the process of developing new analytics algorithms, allowing users to rapidly prototype new approaches and deploy them in an HPC setting. Third, a scalable runtime system automates mapping analysis algorithms to whatever computational hardware is available, reducing the complexity of developing scaling algorithms. Here, we demonstrate the usability and performance of our system using a use case from neuroscience: filtering, registration, and visualization of tera-scale microscopy data. We evaluate the performance of our system using a leadership-class supercomputer, Shaheen II.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

On the theory of nonhomogeneous nonequilibrium superconductivity in 2D systems with massless fermions

Here we analyze static and nonequilibrium superconducting properties of a 2D relativistic-like model system with local electron-electron interaction, Rashba spin-orbit interaction αR in presence of time-dependent in-plane magnetic field H(t). It is shown that similar to the 2D case with ordinary massive quasiparticle dispersion ε(k)~|k| 2 at large fields, such a system demonstrates a nonhomogeneous superconducting stripe phase with the order parameter Δ(r)=Δ(0)cos(2[μ B B×r]n/$\hbarυ_F$) (B is the magnetic induction, υF is the Fermi velocity, n is the normal to the plane, μ B is the Bohr magneton, and αR$\ll$υF) where the stripes are oriented along the B direction. In the considered system, the inter-stripe period L and the magnitude of the magnetic field B are related by a universal relation BL=$\hbarυ_F$/μ B ≃0.714∙10 -4 Tm. Contrary to the case of massive quasiparticles, where the condition α R ~υ F can be, in principle, satisfied by increasing α R or by charge doping (Fermi velocity decreasing), in a relativistic-like system, where υF is doping-independent and one-two orders of magnitude larger than typical Fermi velocity in the “standard” 2D systems, the stripe phase can be the ground state at a rather low doping level. We also analyzed the nonequilibrium properties of the system with a focus on the melting of the stripe order (when the magnetic field is quenched to a lower value) and stripe dynamics (when the field is rotated by 90° degrees) and found several notable results. In particular, it was shown that the stripe domains melt according to law R~1$\sqrt{t}$ at initial times, while at longer times they shrink exponentially. In the case of the flipped magnetic field, the stripe orientation gradually turns from x- to y-direction, and the intermediate “crossed-stripe” phase takes place during times of order of picoseconds. Such a crossed phase is built of periodic superconducting bubbles that potentially may have applications in modern ultrafast superconducting technologies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Test of fundamental symmetries via the Primakoff effect

The three neutral pseudoscalar mesons, pi^0, eta and eta', represent one of the most interesting systems in strong interaction physics. A study of the electromagnetic properties of these mesons provides a sensitive probe of the symmetry structure of QCD at low energy. A comprehensive experimental program at Jefferson Laboratory (Jlab) is aimed at gathering high precision measurements on the two-photon decay widths and transition form factors at low Q^2 of pi^0, eta and eta' via the Primakoff effect. The completed experiments on the pi^0 radiative decay width at Jlab 6 GeV, and other planned measurements at Jlab 12GeV will provide a rich laboratory to test the chiral anomaly and to study the origin and dynamics of chiral symmetry breaking at the confinement scale of QCD.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Gasification of Coal/Plastic Mixtures: Fundamental Studies in a Laminar Entrained Flow Reactor

There is interest in leveraging entrained-flow coal gasification for co-processing plastic waste. However interactions between plastic and coal, particularly possible competition between coal volatiles and plastic vapors for oxygen, are not well understood. This study explores co-gasification of pulverized coal and plastic granules in a lab-scale entrained-flow reactor. Conversion and CO/CO2 ratio are given special attention.

Kareem, Afeez↗