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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 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Production and discovery of neutron-rich isotopes by fragmentation of 198 Pt

Production cross sections were measured for fragments produced by an 85 MeV/u 198 Pt beam incident on a beryllium target. Event-by-event particle identification of A, Z, and q for the reaction products was performed by employing energy loss, time-of-flight, magnetic rigidity, and total kinetic energy measurements. Over 70 nuclei in the Hf-Pt region were identified, including three isotopes first observed in this work: 191,192 Hf and 189 Lu. Due to the existence of multiple charge states between H-like and C-like ions, a new analysis method was introduced, incorporating Monte Carlo calculations of charge state fractions for a given charge state of the projectile residue just after the reaction. For the first time, charge-state probability distribution functions after the reaction have been deduced from experimental data. Furthermore, this study provides insight into how to produce key nuclides near N = 126 and the ability of a fragmentation residue to retain electrons from the primary beam.

190 ≤ A ≤ 219↗
DOE OSTI2020

Measurements of the $W$ boson rapidity, helicity, double-differential cross sections, and charge asymmetry in $pp$ collisions at $\sqrt {s}$ = 13 TeV

The differential cross section and charge asymmetry for inclusive W boson production at s=13 TeV is measured for the two transverse polarization states as a function of the W boson absolute rapidity. The measurement uses events in which a W boson decays to a neutrino and either a muon or an electron. The data sample of proton-proton collisions recorded with the CMS detector at the LHC in 2016 corresponds to an integrated luminosity of 35.9 fb-1. The differential cross section and its value normalized to the total inclusive W boson production cross section are measured over the rapidity range |yW|<2.5. In addition to the total fiducial cross section, the W boson double-differential cross section, d2σ/dpTℓd|ηℓ|, and the charge asymmetry are measured as functions of the charged lepton transverse momentum and pseudorapidity. The precision of these measurements is used to constrain the parton distribution functions of the proton using the next-to-leading order NNPDF3.0 set.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Quantum real-time evolution of entanglement and hadronization in jet production: Lessons from the massive Schwinger model

The possible link between entanglement and thermalization, and the dynamics of hadronization are addressed by studying the real-time response of the massive Schwinger model coupled to external sources. This setup mimics the production and fragmentation of quark jets, as the Schwinger model and quantum chromodynamics (QCD) share the properties of confinement and chiral symmetry breaking. By using simulations of quantum dynamics on classical hardware, we study the entanglement between the produced jets, and observe the growth of the corresponding entanglement entropy in time. This growth arises from the increased number of contributing eigenstates of the reduced density matrix with sufficiently large and close eigenvalues. We also investigate the physical nature of these eigenstates, and find that at early times they correspond to fermionic Fock states. We then observe the transition from these fermionic Fock states to mesonlike bound states as a function of time. In other words, we observe how hadronization develops in real time. At late times, the local observables at midrapidity (such as the fermion density and the electric field) approach approximately constant values, suggesting the onset of equilibrium and approach to thermalization. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Transport, correlations, and chaos in a classical disordered anharmonic chain

Here, we explore transport properties in a disordered nonlinear chain of classical harmonic oscillators, and thereby identify a regime exhibiting behavior analogous to that seen in quantum many-body-localized systems. Through extensive numerical simulations of this system connected at its ends to heat baths at different temperatures, we computed the heat current and the temperature profile in the nonequilibrium steady state as a function of system size $\textit{N}$, disorder strength Δ, and temperature $\textit{T}$. The conductivity $κ_N$, obtained for finite length ($\textit{N}$), saturates to a value $κ_∞$ > 0 in the large $\textit{N}$ limit, for all values of disorder strength Δ and temperature $\textit{T}$ > 0. We show evidence that for any Δ > 0 the conductivity goes to zero faster than any power of $\textit{T}$ in the ($\textit{T}$/Δ) → 0 limit, and find that the form $κ_∞$ ~ $e^{{–B|\text{ln}(CΔ/T)|}^{3}}$ fits our data. This form has earlier been suggested by a theory based on the dynamics of multioscillator chaotic islands. The finite-size effect can be $κ_N < κ_∞$ due to boundary resistance when the bulk conductivity is high (the weak disorder case), or $κ_N > κ_∞$ due to direct bath-to-bath coupling through bulk localized modes when the bulk is weakly conducting (the strong disorder case). We also present results on equilibrium dynamical correlation functions and on the role of chaos on transport properties. Finally, we explore the differences in the growth and propagation of chaos in the weak and strong chaos regimes by studying the classical version of the out-of-time-ordered commutator.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Origin of surface and subband states at the InAs(111)A surface

The atomic structure of surfaces and interfaces plays a vital role in the electronic quality and properties of quantum devices. The interplay between the surface and confined bulk subband states in terms of their susceptibility has been investigated in relation to crystal defects on an InAs(111)A-(2×2) reconstructed surface, using low-temperature scanning tunneling microscopy and spectroscopy. We measure the two-dimensional quantized subband states arising from the confined potential imposed by downward bending of the conduction band edge. Furthermore, we show evidence of the existence of surface Bloch states within the confined bulk band gap projected on the surface spectrum which have originated from the surface reconstruction. As expected, larger confined bulk band gaps at the surface and conduction band offset are measured to be 0.58 and 0.31 eV, respectively. Here we further show the scattering of these quantum states at different surface defects and demonstrate that surface states are more susceptible to the defect potential when compared with the corresponding subband states. This apparent contrast follows from the length scale at which these defect potentials actively interact on or near the surface. Our observed experimental results are supported by empirical tight-binding simulations for the subband states and first-principles density functional theory simulations for the surface states present on the surface.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Adaptive Load Shedding for Grid Emergency Control via Deep Reinforcement Learning

Emergency control, typically such as under-voltage load shedding (UVLS), is broadly used to grapple with low voltage and voltage instability issues in real-world power systems under contingencies. However, existing emergency control schemes are rule-based and cannot be adaptively applied to uncertain and floating operating conditions. Here, we propose an adaptive UVLS algorithm for emergency control via deep reinforcement learning (DRL) and expert systems. We first construct dynamic components for picturing the power system operation as the environment. The transient voltage recovery criteria, which poses time-varying requirements to UVLS, is integrated into the states and reward function to advise the learning of deep neural networks. The proposed method has no tuning issue of coefficients in reward functions, and this issue was regarded as a deficiency in the existing DRL-based algorithms. Case studies illustrate that the proposed method outperforms the traditional UVLS relay in both the timeliness and efficacy for emergency control.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Lattice Monte Carlo simulations with two impurity worldlines

Abstract We develop the impurity lattice Monte Carlo formalism for the case of two distinguishable impurities in a bath of polarized fermions. The majority particles are treated as explicit degrees of freedom, while the impurities are described by worldlines. The latter serve as localized auxiliary fields, which affect the majority particles. We apply the method to non-relativistic three-dimensional systems of two impurities and a number of majority particles where both the impurity–impurity interaction and the impurity–majority interaction have zero range. We consider the case of an attractive impurity–majority interaction, and we study the formation and disintegration of bound states as a function of the impurity–impurity interaction strength. We also discuss the potential applications of this formalism to other quantum many-body systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Structural features of 11 synthetic bacteriochlorins — comparisons with chlorins and porphyrins

As part of a program to develop the fundamental science of synthetic bacteriochlorins — analogues of Nature’s light-harvesting pigments in anoxygenic photosynthesis — 11 synthetic free base bacteriochlorins have been examined by single-crystal X-ray diffraction analysis. In each bacteriochlorin, each pyrroline ring contains a gem-dimethyl group to block adventitious (aerobic) dehydrogenation. The structural features of the bacteriochlorins (tetrahydroporphyrins) are compared with the less saturated counterparts, chlorins (dihydroporphyrins) and porphyrins. Only slight structural perturbation accrues due to the presence of the gem-dimethyl groups. Furthermore, the results presented herein may aid in understanding metal chelation processes and underpin the development of functional solid-state molecular assemblies.

X-ray diffraction↗
DOE OSTI2023

Many-Body Adaptive Configuration Interaction Suite (MACIS) v0.1.0

The Many-Body Adaptive Configuration Interaction Suite (MACIS) is a modern C++ software infrastructure for the development of selected-configuration interaction (sCI) methods for the fermionic many-body problem in quantum chemistry and materials science. MACIS provides a high-performance, parallel implementation of the Adaptive Sampling Configuration Interaction (ASCI) method as related solvers such as self-consistent orbital optimization and the evaluation of excited states and spectral functions. Unlike existing sCI software, MACIS is developed as a modular software infrastructure which allows it to exist both as a standalone sCI solver and as a library to integrate into existing many-body codes. This modularity allows MACIS to be quickly extensible, including its integration with other sCI methods and high-performance solvers.

Williams-Young, David↗
DOE OSTI2020

Scale Invariance of the Homentropic Inviscid Euler Equations with Application to the Noh Problem

We investigate the inviscid compressible flow (Euler) equations constrained by an ”isentropic” equation of state (EOS), whose functional form in pressure is an arbitrary function of density alone. Under the aforementioned condition, we interrogate using symmetry methods the scale-invariance of the homentropic inviscid Euler equations. We find that under general conditions, we can reduce the inviscid Euler equations into a system of two coupled ordinary differential equations. To exemplify the utility of these results, we formulate two example scale-invariant, self-similar solutions. The first example includes a shock-free expanding bubble scenario, featuring a modified Tait EOS. The second example features the classical Noh problem, coupled to an arbitrary isentropic EOS. In this case, in order to satisfy the conditions set forth in the classical Noh problem, we find that the solution for the flow is given by a transcendental algebraic equation in the shocked density.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Cradle-to-Gate Life Cycle Analysis Baseline for United States Coal Mining and Delivery

The goal of this study is to highlight the environmental impacts from upstream coal production to its delivery at a power plant. This study is meant to characterize different coal basins, coal types, and mine types used to produce electric power in the North American Electric Reliability Corporation (NERC) regions in the United States using a functional unit of 1 kg of coal. The boundary of this study includes underground or surface extraction, water use at the mine, ventilation, coal handling, coal cleaning, mine tailing disposal, and transportation via conveyer belt, truck, ocean vessel, barge, and train. See the following URLs for accompanying documents: NETL Coal Baseline Model - Transportation Inventories: https://www.netl.doe.gov/energy-analysis/details?id=27ea1ba4-6ea9-4ee5-8b32-d7fce7f4e1e0. NETL Coal Baseline Model - Basin Inventories: https://www.netl.doe.gov/energy-analysis/details?id=0f290eed-5e4b-4b5f-bec0-36b0ea89c6e5. NETL Coal Baseline Model - Excel file: https://www.netl.doe.gov/energy-analysis/details?id=0dc18730-4214-4878-8a0f-d1941c45123c. NETL Coal Baseline Model - Open LCA model: https://www.netl.doe.gov/energy-analysis/details?id=0c0dde04-0d3c-4c7f-bd33-2745e061b8e0.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2025

Towards a 𝜈 𝜇 CC 1𝜇 + 1p exc. cross section measurement at the NOvA Near Detector

In the recent past, the NOvA near detector has been used to perform several neutrino-matter cross section measurements as a function of final state muon or electron kinematics around $E_\nu = 2$ GeV. In this talk, I show how the muon neutrino charged-current measurement in particular can be extended into a more exclusive region of phase space in order to probe nuclear effects. This can be done by selecting a final state with 1$\mu$, 1 proton, and nothing else, and measuring the cross section in terms of transverse kinematic imbalance (TKI) variables. The measurement I describe here would also be sensitive to quasi-elastic (QEL), two-particle two-hole (2p2h), and resonant (RES) neutrino interactions. Currently, I am optimizing the selection cuts for this analysis and developing a proton momentum estimator, which is necessary for reconstructing the TKI variables.

Weber, Colin [Minnesota U.]↗
DOE OSTI2020

Near-Single-Cell Proteomics Profiling of the Proximal Tubular and Glomerulus of the Normal Human Kidney

Molecular assessments at the single-cell level can accelerate biological research by providing detailed assessments of cellular organization and tissue heterogeneity in both disease and health. The human kidney has complex multi-cellular states with varying functionality, much of which can now be completely harnessed with recent technological advances in tissue proteomics at a near single-cell level. We discuss the foundational steps in the first application of this mass spectrometry (MS) based proteomics method for analysis of sub-sections of the normal human kidney, as part of the Kidney Precision Medicine Project (KPMP). Using approximately 30-40 laser captured micro-dissected kidney cells, we identified more than 2500 human proteins, with specificity to the proximal tubular (PT; n=25 proteins) and glomerular (Glom; n=67 proteins) regions of the kidney and their unique metabolic functions. This pilot study provides the roadmap for application of our near-single-cell proteomics workflow for the analysis of other renal micro-compartments, on a larger scale, to unravel perturbations of renal sub-cellular function in the normal kidney as well as different etiologies of acute and chronic kidney disease.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

CLASSY III. The Properties of Starburst-driven Warm Ionized Outflows

We report the results of analyses of galactic outflows in a sample of 45 low-redshift starburst galaxies in the COS Legacy Archive Spectroscopic SurveY (CLASSY), augmented by five additional similar starbursts with Cosmic Origins Spectrograph (COS) data. The outflows are traced by blueshifted absorption lines of metals spanning a wide range of ionization potential. The high quality and broad spectral coverage of CLASSY data enable us to disentangle the absorption due to the static interstellar medium (ISM) from that due to outflows. We further use different line multiplets and doublets to determine the covering fraction, column density, and ionization state as a function of velocity for each outflow. We measure the outflow's mean velocity and velocity width, and find that both correlate in a highly significant way with the star formation rate, galaxy mass, and circular velocity over ranges of four orders of magnitude for the first two properties. We also estimate outflow rates of metals, mass, momentum, and kinetic energy. We find that, at most, only about 20% of silicon created and ejected by supernovae in the starburst is carried out in the warm phase we observe. The outflows' mass-loading factor increases steeply and inversely with both circular and outflow velocity (log–log slope ~–1.6), and reaches ~10 for dwarf galaxies. We find that the outflows typically carry about 10%–100% of the momentum injected by massive stars and about 1%–20% of the kinetic energy. We show that these results place interesting constraints on, and new insights into, models and simulations of galactic winds.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1968

Natural orbitals for H sub 2.

Natural orbital expansion coefficients of LCAO-MO-SCF-CI wave functions for ground state of H molecule

Barker, W. H.↗