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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 1,009 records · Page 56
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

A competition between 2D and 3D magnetic orderings in novel mixed valent copper frameworks

Low-dimensional hybrid inorganic–organic frameworks exhibit high structural flexibility and allow for the inclusion of various magnetic and optically-active species into their host structures. The emergence of copper-based hybrid structures for various optical applications provides a promising foundation for exploring the integration of magnetic sublattices, paving the way for advancements in magneto-optical coupling and multifunctional materials. Herein, we introduce a novel class of hybrid copper frameworks with covalently-connected alternating magnetic 2D copper(II) formate and non-magnetic copper(I) bromide layers. The anionic framework is stabilized by A + cations to form ACu 5 Br 4 (COOH) 4 (A + = Na + , K + , Rb + , NH 4 + ) semiconductors (bandgaps 2.1–2.2 eV) with optical transitions suitable for optoelectronic applications. Comprehensive magnetometry studies show that ACu 5 Br 4 (COOH) 4 compounds exhibit low-dimensional 2D short-range antiferromagnetic order within the formate layers, characterized by strong exchange coupling (J/k B ∼ −100 K). Upon further temperature reduction, interactions between Cu(II) layers give rise to 3D long-range magnetic order at ∼40 K, despite the large (8.6–8.8 Å) spatial separation of the magnetic Cu(II) formate layers by nonmagnetic Cu(I)–Br bridging layers. This transition is further supported by electron paramagnetic resonance (EPR) spectroscopy. In conclusion, this study expands our understanding of low-dimensional hybrid frameworks and opens new avenues for the design of 2D multifunctional materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Opening the Door to Grid-Interactive Efficient Buildings with Energy Codes

Building codes represent standard design practice in the construction industry and must continually evolve to account for advancing technologies and innovative practices. Energy codes have historically focused on energy efficiency within buildings and across their systems. However, many of tomorrow's technologies go beyond efficiency and target increased flexibility. These demand flexibility (DF) measures can postpone or reduce building electric load based on price or other grid signals, and include smart appliances, connected lighting, and connected mechanical systems. Expanding codes to enable such grid-interactive efficient building (GEB) has the potential to influence their realization at scale, which will support renewable-energy grid-integration and building-sector decarbonization. However, considering DF measures in code development creates a new set of challenges for codes and the practices contained therein. This paper considers the role of building energy codes in enabling GEB. Specifically, it reviews the status of demand flexibility (DF) measures in current commercial building energy code. It examines the national model code development process and identifies components barring the consideration and inclusion of DF measures - including code scope, characterization and analysis of proposed new prescriptive measures, and accounting for time-of-day and geographic differences in their benefits. The paper presents findings from code development analyses that indicate the cost benefit of DF measures and the limitations associated with current code development conventions. To encourage building flexibility and improved energy resilience moving forward, recommendations are made for removing code development barriers and sanctioning DF measure consideration in future model codes.

Building Energy Codes and Standards, Grid-Interact↗
DOE OSTI2024

Resolved Resonance Evaluation for Neutron Interactions with 103 Rh up to 8 keV

A neutron cross-section evaluation for the n + 103 Rh reaction in the resolved resonance region was carried out in the energy range 10−5 eV to 8 keV encompassing thermal energy at 0.0253 eV. The scope of this work is to generate resonance parameters and resonance parameter covariances based on the Reich-Moore reduced R-matrix formalism using the code SAMMY. Some features of the new evaluation are the inclusion of high-resolution capture data in the SAMMY evaluation process and the extension of the resolved resonance range from 4 to 8 keV. Furthermore, the evaluation employs more accurate resonance parameter representation by exploring the use of the LRF = 7 ENDF feature and also the use of the LCOMP = 2 compact format for resonance parameter covariance representation. Included in the SAMMY evaluation are transmission data, capture cross-section data, and neutron scattering length information. Thermal cross-section values listed in the literature, as well as capture resonance integrals, were also incorporated into the evaluation process.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Investigating the role of strangeness in baryon–antibaryon annihilation at the LHC

Annihilation dynamics plays a fundamental role in the baryon–antibaryon interaction ($B–\bar{B}$) at low-energy and its strength and range are crucial in the assessment of possible baryonic bound states. Experimental data on annihilation cross sections are available for the $p–\bar{p}$ system but not in the low relative momentum region. Data regarding the $B–\bar{B}$ interaction with strange degrees of freedom are extremely scarce, hence the modeling of the annihilation contributions is mainly based on nucleon–antinucleon ($N–\bar{N}$) results, when available. In this letter we present a measurement of the $p–\bar{p}$, $p–\bar{Λ}$⊕$p–{Λ}$ and $Λ–\bar{Λ}$ interaction using correlation functions in the relative momentum space in high-multiplicity triggered pp collisions at $\sqrt{s}$=13 TeV recorded by ALICE at the LHC. In the $p–\bar{p}$ system the couplings to the mesonic channels in different partial waves are extracted by adopting a coupled-channel approach with recent χEFT potentials. The inclusion of these inelastic channels provides good agreement with the data, showing a significant presence of the annihilation term down to zero momentum. Predictions obtained using the Lednický–Lyuboshits formula and scattering parameters obtained from heavy-ion collisions, hence mainly sensitive to elastic processes, are compared with the experimental $p–\bar{Λ}$⊕$p–{Λ}$ and $Λ–\bar{Λ}$ correlations. The model describes the $Λ–\bar{Λ}$ data and underestimates the $p–\bar{Λ}$⊕$p–{Λ}$ data in the region of momenta below 200 MeV/c. The observed deviation indicates a different contribution of annihilation channels to the two systems containing strange hadrons.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Relationship between microporous structure and light gas transport through glassy polymeric membranes revealed by molecular simulations

Microporous glassy polymers are attractive materials for gas separation membranes, due to their high permeability and tailorable selectivity, provided physical aging can be delayed. The archetypal microporous glassy polymer, PTMSP, can be blended with a hyper-crosslinked isatin–triptycene porous polymer network (PPN) to delay physical aging. However, while PPN is effective at reducing physical aging, it also affects the permeability of light gases through PTMSP. Molecular dynamics simulations were used here to shed fundamental light on the mechanisms responsible for these effects. Atomistic models are developed that satisfactorily reproduce experimental observations such as matrix density and cavity size distributions for neat PTMSP as well as for PTMSP–PPN blends. Analysis of the simulation results suggests that physical aging is delayed because the PPN inclusions slow down PTMSP relaxation while reducing the connectivity between free volume pockets. To understand how PPN inclusions affect light gas permeability, the atomistic models developed are used to probe CO 2 and CH 4 diffusion and sorption. These simulations are conducted for PTMSP matrices exhibiting varying density, towards reproducing experimental permeability data. Interrogating the simulation trajectories, it is discovered that while CH 4 travels preferentially through the free volume cavities, CO 2 preferentially interacts with the available surfaces, especially in the presence of PPN. These differences help interpret experimental observations. The transport of C 2 H 6 and H 2 S through PTMSP matrices was also investigated. These gases, and in particular H 2 S, were found to absorb within PTMSP, yielding very low diffusion coefficients. The ability to predict differences in diffusion pathways for various natural gas components unveils the possibility of engineering membranes to control permeability and selectivity towards large-scale applications.

Bao Le, Tran Thi [Univ. of Oklahoma, Norman, OK (U↗
DOE OSTI2012

Challenges in explosive nucleosynthesis of heavy elements

We show that a treatment of charged-current neutrino interactions in hot and dense matter that is consistent with the nuclear equation of state has a strong impact on the spectra of the neutrinos emitted during the deleptonization period of a protoneutron star formed in a core-collapse supernova. We compare results of simulations including and neglecting mean field effects on the neutrino opacities. Their inclusion reduces the luminosities of all neutrino flavors and enhances the spectral differences between electron neutrino and antineutrino. The magnitude of the difference depends on the equation of state and in particular on the symmetry energy at sub-nuclear densities. These modifications reduce the proton-to-nucleon ratio of the neutrino-driven outflow, increasing slightly their entropy. They are expected to have a substantial impact on the nucleosynthesis in neutrino-driven winds, even though they do not result in conditions that favor an r-process. Contrarily to previous findings, our simulations show that the spectra of electron neutrinos remain substantially different from those of other (anti)neutrino flavors during the entire deleptonization phase of the protoneutron star. The obtained luminosity and spectral changes are also expected to have important consequences for neutrino flavor oscillations and neutrino detection on Earth.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Full- f version of GENE for turbulence in open-field-line systems

Exclusive properties of plasmas in the tokamak edge, such as large amplitude fluctuations and plasma–wall interactions in the open-field-line regions, require major modifications of existing gyrokinetic codes originally designed for simulating core turbulence. Thus, the global version of the 3D2V gyrokinetic code GENE, so far employing a δf-splitting technique, is extended to simulate electrostatic turbulence in straight open-field-line systems. The significant extensions are the inclusion of the velocity-space nonlinearity, the development of a conducting-sheath boundary, and the implementation of the Lenard–Bernstein collision operator. With these developments, the code can be run as a full-f code and can handle particle loss to and reflection from the wall. The extended code is applied to modeling turbulence in the Large Plasma Device (LAPD), with a reduced mass ratio and a much lower collisionality. Similar to turbulence in a tokamak scrape-off layer, LAPD turbulence involves collisions, parallel streaming, cross-field turbulent transport with steep profiles, and particle loss at the parallel boundary.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Pion production in a transport model based on mean fields from chiral effective field theory

We develop a Boltzmann-Uehling-Uhlenbeck (BUU) transport model based on the Sk χm* energy density functional, which is constructed from fitting the nuclear equation of state and nucleon effective masses in asymmetric nuclear matter predicted by the two- and three-body chiral interactions as well as the binding energies of finite nuclei. This new χBUU transport model is then used to study how baryon mean-field potentials affect the kinematics of a scattering or decay process and the equilibrium properties of a hot N–Δ–π system in a box with periodic boundary conditions. We find that the inclusion of mean-field potentials in the energy conservation condition for scattering and decay processes is necessary to maintain the equilibrium numbers of N,Δ, and π. Although the baryon mean-field potentials have significant effects on the total Δ and π numbers, they only slightly affect the ratio of effective negatively to positively charged pions. We also study pion production in central 197 Au + 197 Au collisions at the incident energy of E/A = 400 MeV and compare the results with the experimental data from the Four Pi (FOPI) Collaboration at the Gesellschaft für Schwerionenforschung mbH (GSI) in Germany. We find that our model can well describe the experimental results and the threshold effect due to baryon mean-field potentials does not affect much the charged pion ratio in this model. Here, we further make predictions on pion production for the ongoing experiments of 132 Sn + 124 Sn and 108 Sn + 112 Sn at the incident energy of E/A = 270 MeV by the SAMURAI Pion-Reconstruction and Ion-Tracker (SπRIT) Collaboration at the Institute of Physical and Chemical Research (RIKEN) in Japan.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1996

Toward an Astrophysical Theory of Chondrites

Sunlike stars are born with disks. Based on our recently developed model to understand how a magnetized new star interacts with its surrounding accretion disk, we advanced an astrophysical theory for the early solar system. The aerodynamic drag of a magnetocentrifugally driven wind out of the inner edge of a shaded disk could expose solid bodies lifted into the heat of direct sunlight, when material is still accreting onto the protosun. Chondrules, calcium-aluminum-rich inclusions (CAI's), and rims could form along the flight for typical self-consistent parameters of the outflow in different stages of star formation. The process gives a natural sorting mechanism that explains the size distribution of CAI's and chondrules, as well as their associated rims. Chondritic bodies then subsequently form by compaction of the processed solids with the ambient nebular dust comprising the matrices after their reentry at great distances from the original launch radius.

Shang, Hsien↗
DOE OSTI2018

Aluminum Deoxidation Equilibrium of Fe-Ni Alloy at 1773 K and 1873 K

The aluminum deoxidation equilibrium in molten Fe-36 mass pct Ni and Fe-46 mass pct Ni alloys was experimentally determined at 1773 K and 1873 K to obtain the thermodynamic parameters around the liquidus temperature, which is required to predict the deoxidation reaction for the ingot-casting process. Automatic SEM-EDS inclusion analysis was performed to estimate the undissolved oxygen content. Thermodynamic analysis on Al deoxidation was carried out using Miki and Hino’s formula, which is based on Darken’s quadratic formalism and the Redlich–Kister polynomial. From the composition dependence of the apparent equilibrium constant in Fe-Ni alloy, the necessity of the third-order interaction parameter of Ni-Al was found. Then, the interaction parameters of Fe-Al, Al-O and Ni-Al were evaluated.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Intermolecular Interactions and Electrostatic Properties of the [beta]-Hydroquinone Apohost: Implications for Supramolecular Chemistry

The crystal structure of the {beta}-polymorph of hydroquinone ({beta}-HQ), the apohost of a large family of clathrates, is reported with a specific focus on intermolecular interactions and the electrostatic nature of its cavity. Hirshfeld surface analysis reveals subtle close contacts between two interconnecting HQ networks, and the local packing and related close contacts were examined by breakdown of the fingerprint plot. An experimental multipole model containing anisotropic thermal parameters for hydrogen atoms has been successfully refined against 15(2) K single microcrystal synchrotron X-ray diffraction data. The experimental electron density model has been compared with a theoretical electron density calculated with the molecule embedded in its own crystal field. Hirshfeld charges, interaction energies and the electrostatic potential calculated for both models are qualitatively in good agreement, but small differences in the electrostatic potential persist due to charge transfer from all hydrogen atoms to the oxygen atoms in the theoretical model. The electrostatic potential in the center of the cavity is positive, very shallow and highly symmetric, suggesting that the inclusion of polar molecules in the void will involve a balance between opposing effects. The electric field is by symmetry zero in the center of the cavity, increasing to a value of 0.0185 e/{angstrom}{sup 2} (0.27 V/{angstrom}) 1 {angstrom} along the 3-fold axis and 0.0105 e/{angstrom}{sup 2} (0.15 V/{angstrom}) 1 {angstrom} along the perpendicular direction. While these values are substantial in a macroscopic context, they are quite small for a molecular cavity and are not expected to strongly polarize a guest molecule.

08 HYDROGEN↗
DOE OSTI2011

A weakened cascade model for turbulence in astrophysical plasmas

A refined cascade model for kinetic turbulence in weakly collisional astrophysical plasmas is presented that includes both the transition between weak and strong turbulence and the effect of nonlocal interactions on the nonlinear transfer of energy. The model describes the transition between weak and strong MHD turbulence and the complementary transition from strong kinetic Alfven wave (KAW) turbulence to weak dissipating KAW turbulence, a new regime of weak turbulence in which the effects of shearing by large scale motions and kinetic dissipation play an important role. The inclusion of the effect of nonlocal motions on the nonlinear energy cascade rate in the dissipation range, specifically the shearing by large-scale motions, is proposed to explain the nearly power-law energy spectra observed in the dissipation range of both kinetic numerical simulations and solar wind observations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Saturation and nonlinear electromagnetic stabilization of ITG turbulence

Energy transfer in ion-temperature-gradient-driven (ITG) turbulence and its role in modeling transport are examined for finite normalized plasma pressure β for a number of test cases and experimental discharges. The analysis shows that like the zero-β case, finite-β ITG turbulence saturates by nonlinear energy transfer to stable modes mediated by a zonal flow. Electromagnetic effects reliably increase stable mode amplitudes but affect heat fluxes only at the ≈5% level. The most important change with increased β is an increase in the correlation time of the triplet interaction of the unstable mode, stable mode, and zonal flow, thus providing a heightened nonlinear energy transfer efficiency, which allows the instability to saturate at lower amplitude. The heat flux is examined in connection with nonlinear electromagnetic stabilization, the phenomenon where the flux falloff with β is more pronounced than the falloff predicted by quasilinear transport models. The inclusion of the triplet correlation time in the quasilinear model captures most of the nonlinearly enhanced stabilization for the configurations studied here.

Whelan, G. G.↗
DOE OSTI2021

Attached and Attaching Three-Dimensional Jets from Circular Nozzles: Analytical Model

Here we evaluate velocity profiles of three dimensional attached jets emerging from circular nozzles. These jets lose momentum due to interactions with nearby surfaces and are important to evaluating flows in mixing vessels and to suspending solids and trapped gases in radioactive waste tanks. Despite the industrial importance of attached jets, simple, complete, and quantitative expressions for their velocity profiles remain elusive. Here we present a quantitative analytical model of the three dimensional velocity profiles of attached jets inclusive of a local skin coefficient of friction. We compare these expressions to experimental velocity profiles at moderate and high nozzle Reynolds numbers to find reasonable quantitative agreement.

Jet, attached jet, offset jet, reattaching offset ↗
DOE OSTI2018

Measurement of charged particle spectra in minimum-bias events from proton–proton collisions at $\sqrt{s}=13\,\text {TeV} $

Pseudorapidity, transverse momentum, and multiplicity distributions are measured in the pseudorapidity range $|\eta | < 2.4$ for charged particles with transverse momenta satisfying $p_{\mathrm {T}} > 0.5\,\text {GeV} $ in proton–proton collisions at a center-of-mass energy of $\sqrt{s} = 13\,\text {TeV} $ . Measurements are presented in three different event categories. The most inclusive of the categories corresponds to an inelastic $\mathrm {p}$ $\mathrm {p}$ data set, while the other two categories are exclusive subsets of the inelastic sample that are either enhanced or depleted in single diffractive dissociation events. As a result, the measurements are compared to predictions from Monte Carlo event generators used to describe high-energy hadronic interactions in collider and cosmic-ray physics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Possible Mechanism for the Generation of a Fundamental Unit of Charge (long version)

Various methods for calculating particle-emission rates from hot systems are reviewed. Semi-classically derived photon-emission rates often contain the term exp(-ε/T) which needs to be replaced with the corresponding Planckian factor of [exp(-ε/T)-1] -1 to obtain the correct rate. This replacement is associated with the existence of stimulated emission. Simple arguments are used to demonstrate that black holes can also undergo stimulated emission, as previously determined by others. We extend these concepts to fundamental particles, and assume they can be stimulated to emit virtual photons with a cross section of πλ 2 , in the case of an isolated particle when the incident virtual-photon energy is < 2πmc 2 . Stimulated-virtual photons can be exchanged with other particles generating a force. With the inclusion of near-field effects, the model choices presented give a calculated fundamental unit of charge of 1.6022x10 -19 C. If these choices are corroborated by detailed calculations then an understanding of the numerical value of the fine structure constant may emerge. The present study suggests charge might be an emergent property generated by a simple interaction mechanism between point-like particles and the electromagnetic vacuum, similar to the process that generates the Lamb shift.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2012

Ab initio calculations of light-ion fusion reactions

The exact treatment of nuclei starting from the constituent nucleons and the fundamental interactions among them has been a long-standing goal in nuclear physics. Above all nuclear scattering and reactions, which require the solution of the many-body quantum-mechanical problem in the continuum, represent an extraordinary theoretical as well as computational challenge for ab initio approaches. The ab initio No-Core Shell Model/Resonating-Group Method (NCSM/RGM) complements a microscopic cluster technique with the use of realistic interactions, and a microscopic and consistent description of the nucleon clusters. This approach is capable of describing simultaneously both bound and scattering states in light nuclei. Recent applications to light nuclei scattering and fusion reactions relevant to energy production in stars and Earth based fusion facilities, such as the deuterium-{sup 3}He fusion, are presented. Progress toward the inclusion of the three nucleon force into the formalism is outlined.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗