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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 OSTI2023

Transonic dislocation propagation in diamond

Here, the motion of line defects (dislocations) has been studied for more than 60 years, but the maximum speed at which they can move is unresolved. Recent models and atomistic simulations predict the existence of a limiting velocity of dislocation motion between the transonic and subsonic ranges at which the self-energy of dislocation diverges, though they do not deny the possibility of the transonic dislocations. We used femtosecond x-ray radiography to track ultrafast dislocation motion in shock-compressed single-crystal diamond. By visualizing stacking faults extending faster than the slowest sound wave speed of diamond, we show the evidence of partial dislocations at their leading edge moving transonically. Understanding the upper limit of dislocation mobility in crystals is essential to accurately model, predict, and control the mechanical properties of materials under extreme conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Relativistic Hartree–Fock chiral Lagrangians with confinement, nucleon finite size and short-range effects

A relativistic Hartree–Fock Lagrangian including a chiral potential and nucleon polarisation is investigated in hopes of providing a better description of dense nuclear matter. Here, we fully consider the contribution of the exchange Fock term to the energy and the self-energies, and in addition we investigate the nucleon’s compositeness and finite size effects (confinement and form factors) and short range correlations modeled by a Jastrow ansatz. These effects are added step by step, such that their impact on the dense matter properties can be analysed in details. The parameters of the model are adjusted to reproduce fundamental properties related to the QCD theory at low energy, such as the chiral symmetry breaking, nucleon’s quark substructure and Lattice-QCD predictions, as well as two empirical properties at saturation: the binding energy and the density. All other empirical parameters, e.g., symmetry energy and its slope, incompressibility modulus, effective mass, as well as spin–isospin Landau–Midgal parameter are predictions of the models and can be used to evaluate the gain of the different approximation schemes in describing nuclear properties. Bayesian statistics is employed in order to propagate parameter uncertainties into predictions for the nuclear matter properties. We show that the splitting of the effective Landau mass is largely influenced by the value of the ρ T coupling, and we show that the fit to the symmetry energy, which induces an increase of the coupling constant g ρ by about 20–25% compared to the case where it is fixed by the quark model, provides a very good EoS compatible with the present nuclear physics knowledge.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

PyDislocDyn: A Python code for calculating dislocation drag and other crystal properties

PyDislocDyn is a suite of python programs designed to perform various calculations for dislocation dynamics in the continuum limit. In particular, one of its main purposes is to calculate dislocation drag from phonon wind. Additional features include the averaging of elastic constants for polycrystals, the calculation of the dislocation field including its limiting velocities, and the calculation of dislocation self-energy and line tension.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Hole doping and electronic correlations in Cr substituted BaFe$_{2}$As$_{2}$

For a significant composition range, the suppression of the spin density wave transition temperature (T SDW ) in Cr- and Mn-substituted BaFe 2 As 2 (CrBFA and MnBFA, respectively) coincides as a function of Cr/Mn content, despite the distinct electronic effects of these substitutions. Additionally, for any Cr/Mn content superconductivity (SC) is absent and this topic is particularly less explored in the case of CrBFA. Here, in this work, we employ angle-resolved photoemission spectroscopy (ARPES) and combined density functional theory plus dynamical mean field theory (DFT+DMFT) to address the evolution of the Fermi surface (FS) and electronic correlations in CrBFA. Our findings reveal that incorporating Cr leads to an effective hole doping of the states near the FS, which is well described within the virtual crystal approximation (VCA). Moreover, analysis of the ARPES spectra of the bands with main d yz -orbital character reveals a fractional scaling of the imaginary part of self-energy as a function of the binding energy, a signature property of Hund's correlations. Our DFT+DMFT calculations support these experimental findings. We conclude that CrBFA is a correlated electron system for which the changes in the FS as a function of Cr are unrelated to the suppression of T SDW . In addition, we suggest that the absence of SC is primarily due to the competition between Cr local moments and the Fe-derived itinerant spin fluctuations.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Systematic Study of the Self-Renormalized Nucleon Gluon PDF in Large-Momentum Effective Theory

We present a systematic study of the nucleon gluon parton distribution function (PDF) using the self-renormalized large-momentum effective theory (LaMET) approach in lattice QCD. This work extends previous gluon-PDF extractions by performing a detailed analysis of key systematic effects, including gauge-link smearing, lattice spacing, pion mass, and nucleon boost momentum. The self-renormalization framework mitigates ultraviolet divergences associated with Wilson-line self-energy and renormalon contributions by combining lattice matrix elements with perturbative short-distance information, thereby preserving the correct infrared structure. Calculations are performed on $N_f=2+1+1$ HISQ ensembles generated by the MILC Collaboration at three lattice spacings and two pion masses, with boosted nucleon states reaching momenta up to 2.2~GeV. We determine renormalization factors from zero-momentum matrix elements and apply hybrid renormalization to suppress discretization artifacts. After extrapolating large-separation behavior and performing Fourier transforms, we reconstruct quasi-PDFs and match them to lightcone PDFs using next-to-leading order Wilson coefficients. Our results demonstrate that smearing and lattice-spacing effects are under control, and pion-mass and lattice-spacing dependence is mild relative to the current $O(10^6)$ statistics; however, momentum dependence remains a significant source of uncertainty. Future work including even larger boost momenta will be essential to reduce systematics in lattice determinations of the gluon PDF and to advance toward precision QCD phenomenology at the LHC and the future Electron-Ion Collider.

FOS: Physical sciences↗
DOE OSTI2026

Quantum fate of the Choptuik naked singularity

Classical critical collapse provides a dynamical route from smooth initial data to a naked singularity, representing a sharper violation of predictability than ordinary black hole singularities. We argue that this distinction is erased by quantum backreaction. Building on the semiclassical interior analysis, where quantum self-energy of the collapsing matter generates a universal growing mode and a finite mass gap, we study the exterior naked singularity region that determines global visibility in the Einstein-scalar system. We analyze controlled exterior models in both $2+1$ and $3+1$ dimensions. In the former, smooth matching and physical boundary conditions analytically select a vacuum polarization state, whose backreaction cloaks the classically naked region by a quantum trapped branch. In the latter, numerical horizon tracing shows that near a quantum-shifted threshold the exterior develops finite-mass marginally trapped surfaces rather than a zero-mass naked endpoint. These results suggest a global quantum picture in which the Choptuik naked singularity shares the fate of an ordinary black hole singularity: quantum effects push the putative Cauchy horizon behind a quantum-generated horizon, thereby reducing the loss of predictability to the standard black hole evaporation problem.

FOS: Physical sciences↗
NASA NTRS1971

An Eotvos experiment in earth orbit

The gravitational interactions of mass energy stored in the weak interaction are being investigated. The magnitude of possible Eotvos anomalies, such as weak interaction, gravitational self-energy, spin-orbit interactions, and electromagnetic radiation reaction, are considered. A sensitive experiment was designed to determine whether weak interaction energy violates the equivalence principle. Factors to be considered in spacecraft design for the experiment are presented.

Chapman, P. K.↗
NASA NTRS1974

High pressure far infrared spectroscopy of ionic solids

A high-pressure far-infrared cell operating at up to truly hydrostatic pressures of 8 kbar is described and used to determine the anharmonic self-energies associated with the transverse optic modes of ionic solids in which q approximately equals zero. The cell allows far-infrared studies in the spectral range below 120 reciprocal cm. The transverse optic modes were investigated to determine their mode Gruneisen constants and the pressure dependence of their inverse lifetimes in RbI, CsI, and TlCl.

Lowndes, R. P.↗
NASA NTRS1976

New test of the equivalence principle from lunar laser ranging

An analysis of six years of lunar-laser-ranging data gives a zero amplitude for the Nordtvedt term in the earth-moon distance yielding the Nordtvedt parameter eta = 0.00 plus or minus 0.03. Thus, earth's gravitational self-energy contributes equally, plus or minus 3%, to its inertial mass and passive gravitational mass. At the 70% confidence level this result is only consistent with the Brans-Dicke theory for omega greater than 29. We obtain the absolute value of beta - 1 less than about 0.02 to 0.05 for five-parameter parametrized post-Newtonian theories of gravitation with energy-momentum conservation.

Williams, J. G.↗
NASA NTRS1976

Neutral-atom electron binding energies from relaxed-orbital relativistic Hartree-Fock-Slater calculations for Z between 2 and 106

Electron binding energies in neutral atoms have been calculated relativistically, with the requirement of complete relaxation. Hartree-Fock-Slater wave functions served as zeroth-order eigenfunctions to compute the expectation of the total Hamiltonian. A first-order correction to the local approximation was thus included. Quantum-electrodynamic corrections were made. For all elements with atomic numbers ranging from 2 to 106, the following quantities are listed: total energies, electron kinetic energies, electron-nucleus potential energies, electron-electron potential energies consisting of electrostatic and Breit interaction (magnetic and retardation) terms, and vacuum polarization energies. Binding energies including relaxation are listed for all electrons in all atoms over the indicated range of atomic numbers. A self-energy correction is included for the 1s, 2s, and 2p(1/2) levels. Results for selected atoms are compared with energies calculated by other methods and with experimental values.

Huang, K.-N.↗
NASA NTRS1977

Principles of equivalence, Eotvos experiments, and gravitational red-shift experiments - The free fall of electromagnetic systems to post-post-Coulombian order

Free fall in an external static gravitational field of a composite test body consisting of electromagnetically interacting charged particles is analyzed using the TH-epsilon-mu formalism developed by Lightman and Lee (1973). The Lightman and Lee calculation that was carried out to 'post-Coulombian' order is extended to 'post-post-Coulombian' order, and violations of the weak equivalence principle are found which result from the magnetostatic self-energy of the test body. The current generation of Eotvos experiments is shown to test the cited formalism at first order in the external gravitational potential to an accuracy of 4 by 10 to the -10th power for electrostatic energies and 6 by 10 to the -6th power for magnetostatic energies. It is concluded that although the formalism can be tested to an accuracy of 0.04 for electrostatic energies at second order in the gravitational potential, a significant second-order test for magnetostatic energies would require Eotvos experiments accurate to better than one part in 10 to the 15th power.

Haugan, M. P.↗
NASA NTRS1979

L-shell Auger and Coster-Kronig spectra from relativistic theory

The intensities of L-shell Auger and Coster-Kronig transitions in heavy atoms have been calculated relativistically. A detailed comparison is made with measured Auger spectra of Pt and U. The pertinent transition energies were computed from relativistic wave functions with inclusion of the Breit interaction, self-energy, a vacuum-polarization correction, and complete atomic relaxation. Multiplet splitting is found to distribute Auger electrons from certain transitions among several lines. The analysis leads to reassignment of a number of lines in the measured spectra. Lines originally identified as L2-L3Ni in the U spectrum are shown to arise from M4,5 Auger transitions instead.

Chen, M. H.↗
NASA NTRS1983

Ordered pairing in liquid metallic hydrogen

We study two possible types of pairing involving the protons of a proposed low-temperature liquid phase metallic hydrogen. Electron-proton pairing, which can result in an insulating phase, is investigated by using an approximate solution of an Eliashberg-type equation for the anomalous self-energy. A very low estimate of the transition temperature is obtained by including proton correlations in the effective interaction. For proton-proton pairing, we derive a new proton pair potential based on the Abrikosov wave function. This potential includes the electron-proton interaction to all orders and has a much larger well depth than is obtained with linear screening methods. This suggests the possibility of either a superfluid paired phase analogous to that in He-3, or alternatively a phase with true molecular pairing.

Carlsson, A. E.↗
NASA NTRS1985

Can the master time asymmetry in nature be electrodynamic in origin?

If the electrodynamic measurement process is operationally described by imposing measurement color onto classical electrodynamics, self-energy infinities are eliminated and a retarded electrodynamic time arrow emerges dynamically from internal dynamic-stability conditions. This occurs because the new formalism contains nonlocal radiation fields which carry a negative parity under mathematical time reversal. This result is shown to be compatible with an extended form of T and CPT symmetry which preserves the dynamically chosen retarded electrodynamic arrow of time in the measurement color electrodynamic formalism.

Leiter, D.↗
NASA NTRS2000

Many-Body Effects on Bandgap Shrinkage, Effective Masses, and Alpha Factor

Many-body Coulomb effects influence the operation of quantum-well (QW) laser diode (LD) strongly. In the present work, we study a two-band electron-hole plasma (EHP) within the Hatree-Fock approximation and the single plasmon pole approximation for static screening. Full inclusion of momentum dependence in the many-body effects is considered. An empirical expression for carrier density dependence of the bandgap renormalization (BGR) in an 8 nm GaAs/Al(0.3)G(4.7)As single QW will be given, which demonstrates a non-universal scaling behavior for quasi-two-dimension structures, due to size-dependent efficiency of screening. In addition, effective mass renormalization (EMR) due to momentum-dependent self-energy many-body correction, for both electrons and holes is studied and serves as another manifestation of the many-body effects. Finally, the effects on carrier density dependence of the alpha factor is evaluated to assess the sensitivity of the full inclusion of momentum dependence.

Li, Jian-Zhong↗
NASA NTRS2003

Interplay of Collective Excitations in Quantum Well Intersubband Resonances

Intersubband resonances in a semiconductor quantum well (QW) display some of the most fascinating features involving various collective excitations such as Fermi-edge singularity (FES) and intersubband plasmon (ISP). Using a density matrix approach, we treated many-body effects such as depolarization, vertex correction, and self-energy consistently for a two-subband system. We found a systematic change in resonance spectra from FES-dominated to ISP-dominated features, as QW- width or electron density is varied. Such an interplay between FES and ISP significantly changes both line shape and peak position of the absorption spectrum. In particular, we found that a cancellation of FES and ISP undresses the resonant responses and recovers the single-particle features of absorption for semiconductors with a strong nonparabolicity such as InAs, leading to a dramatic broadening of the absorption spectrum.

Li, Jian-Zhong↗
NASA NTRS2012

Design for the Structure and the Mechanics of Moballs

The moball is envisioned to be a round, self-powered, and wind-driven multifunctioning sensor used in the Gone with the Wind ON-Mars (GOWON) [http://www.lpi.usra.edu/meetings/ marsconcepts2012/pdf/4238.pdf]: A Wind-Driven Networked System of Mobile sensors on Mars. The moballs would have sensing, processing, and communication capabilities. The moballs would perform in situ detection of key environmental elements such as vaporized water, trace gases, wind, dust, clouds, light and UV exposure, temperature, as well as minerals of interest, possible biosignatures, surface magnetic and electric fields, etc. The embedded various low-power micro instruments could include a Multispectral Microscopic Imager (to detect various minerals), a compact curved focal plane array camera (UV/Vis/NIR) with a large field of view, a compact UV/Visible spectrometer, a micro-weather station, etc. The moballs could communicate with each other and an orbiter. Their wind- or gravity-driven rolling movement could be used to harvest and store electric energy. They could also generate and store energy using the sunlight, when available, and the diurnal temperature variations on Mars. The moballs would be self-aware of their (and their neighbors ) positions, energy storage, and memory availability; they would have processing power and could intelligently cooperate with neighboring moballs by distributing tasks, sharing data, and fusing information. The major advantages of using the wind-driven and spherical moball network over rovers or other fixed sensor webs to explore Mars would be: (1) moballs could explore a much larger expanse of Mars in a much faster fashion, (2) they could explore the difficult terrains such as steep slopes and sand dunes, and (3) they would be self-energy- generating and could work together and move around autonomously. The challenge in designing the structure and the mechanics of the moball would be that it should be sturdy enough to withstand the impact of its initial fall, as well as other impacts from obstacles in its way. A mechanism would be needed that could enable hundreds of moballs to be carried while they would be deflated and compact, then would inflate them just after deploying them to their drop site. Furthermore, the moballs should also be light enough to allow them to move easily over obstacles by force of the wind. They also should have some kind of maneuvering mechanism in place to help them avoid very hazardous sharp objects or events, and to enable them to get closer to the objects of interest. The structure of the moballs was designed so that they would have different layers. The outer layer should comprise a sturdy, yet light, polymer that could withstand both the impact of the initial drop, as well as the impact of the different obstacles it would encounter while traversing the surface of Mars. This polymer should not deteriorate with the 100 K daily temperature swings on Mars. The inner layer should consist of a very light gas such as nitrogen or helium. In terms of maneuvering, six very light weights placed at strategic locations would give moballs the ability to turn, or even hop, over hazardous (e.g., sharp) obstacles, or even initiate a movement (before getting more help from the wind to be carried around) when stuck. Maneuvering would be necessary in order to get closer to objects of interest. If the weights would be allowed to move freely, they could also be used to generate energy.

Davoodi, Faranak↗