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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 1,423 records · Page 79
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Minimal Impacts of Microplastics on Soil Physical Properties under Environmentally Relevant Concentrations

Agricultural soils are a major reservoir of microplastics, and concerns have arisen about the impacts of microplastics on soil properties and functioning. In this report we measured the physical properties of a silt loam in response to the incorporation of polyester fibers and polypropylene granules over a wide range of concentrations. We further elucidated the underlying mechanisms through determining the role of microplastic shape and the baseline effects from the amendment of soil particles. The incorporation of microplastics into soil tended to increase contact angle and saturated hydraulic conductivity, decrease bulk density and water holding capacity, while did not affect aggregate stability. Polyester fibers affected soil physical properties more profoundly than polypropylene granules, due to the vastly different shape of fibers from that of soil particles. However, changes in soil properties were gradual, and significant changes did not occur until a high concentration of microplastics was reached (i.e., 0.5% w/w for polyester fibers and 2% w/w for polypropylene granules). Currently, microplastic concentrations in soils not heavily polluted with plastics are far below these concentrations, and results from this study suggest that microplastics at environmentally relevant concentrations have no significant effects on soil physical properties.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Universal Single-Ion Physics in Spin–Orbit-Coupled d 5 and d 4 Ions

We have identified six new 4d 4 and 4d 5 compounds with isolated RuCl 6 octahedra, with formulas (HMA) 4 RuCl 6 ·Cl ( 1 ; MA = methylamine), (HGly) 4 RuCl 6 ·Cl ( 2 ; gly = glycine), (HGly) 3 RuCl 6 ·2H 2 O ( 3 ), (NH 4 ) 2 RuCl 6 ( 4 ), (HPy) 2 RuCl 6 ( 5 ; py = pyridine), and H 2 (4,4'-bpy)RuCl 6 ( 6 ; 4,4'-bpy = 4,4'-bipyridine). We find that the temperature-dependent magnetization is well described by single-ion physics in the presence of spin–orbit coupling and negligible superexchange interactions. Further, we find that many compounds in the literature are also well described by single-ion physics, and our results demonstrate the importance of considering single-ion physics when evaluating candidate geometric frustrated magnets in the presence of spin–orbit coupling.

optics, thermal conductivity, defects, charge tran↗
DOE OSTI2017

Bottlebrush-Guided Polymer Crystallization Resulting in Supersoft and Reversibly Moldable Physical Networks

The goal of this study is to use ABA triblock copolymers with central bottlebrush B segments and crystalline linear chain A segments to demonstrate the effect of side chains on the formation and mechanical properties of physical networks cross-linked by crystallites. For this purpose, a series of bottlebrush copolymers was synthesized consisting of central amorphous bottlebrush polymer segments with a varying degree of polymerization (DP) of poly(n-butyl acrylate) (PnBA) side chains and linear tail blocks of crystallizable poly(octadecyl acrylate-stat-docosyl acrylate) (poly(ODA-stat-DA)). The materials were generated by sequential atom transfer radical polymerization (ATRP) steps starting with a series of bifunctional macroinitiators followed by the growth of two ODA-stat-DA linear-chain tails and eventually growing poly(nBA) side chains with increasing DPs. Crystallization of the poly(ODA-stat-DA) tails resulted in a series of reversible physical networks with bottlebrush strands bridging crystalline cross-links. They displayed very low moduli of elasticity of the order of 10 3 –10 4 Pa. These distinct properties are due to the bottlebrush architecture, wherein densely grafted side chains play a dual role by facilitating disentanglement of the network strands and confining crystallization of the linear-chain tails. This combination leads to physical cross-linking of supersoft networks without percolation of the crystalline phase. The cross-link density was effectively controlled by the DP of the side chains with respect to the DP of the linear tails (n A ). Furthermore, shorter side chains allowed for crystallization of the linear tails of neighboring bottlebrushes, while steric repulsion between longer side chains hindered the phase separation and crystallization process and prevented network formation.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Creation of Self-Semi-Interpenetrating Network Structures in PIM-1 Membranes for Enhanced Physical Aging Resistance

A series of self-semi-interpenetrating network (ssIPN) thin films based on PIM-1 structure were developed by end-cross-linking telechelic PIM-1 oligomers end-capped with curable carboxylic acid groups to form model networks, which are penetrated by linear high-molecular-weight PIM-1 chains. ssIPN films with systematically varied network content ranging from 10 to 30 wt % were comprehensively examined on their microstructure and gas permeation properties. Fresh PIM-1 ssIPN films exhibited gas separation performances close to those of as-cast linear PIM-1, where the films closely followed the upper bound trade-off line, gaining as much selectivity as they lose gas permeability as the network content increases. This indicates that gas permeability is largely preserved despite cross-linking. Wide-angle X-ray scattering supported this observation, with peaks shifting toward lower d-spacing as oligomer content increased, suggesting tighter chain packing with higher cross-linkable oligomer loading. In physical aging studies over two months, all ssIPN films outperform linear PIM-1 for H 2 /CH 4 and O 2 /N 2 separations. Notably, the PIM-1 ssIPN with 10 wt % network content showed the best physical aging resistance, with negligible permeability loss even after one month. Finally, these findings highlight a promising macromolecular strategy for enhancing the physical aging resistance of microporous polymer membranes for gas separation.

PIM-1↗
DOE OSTI2026

Crowdsourcing the Frontier: Advancing Hybrid Physics‐ML Climate Simulation via a $\$$50,000 Kaggle Competition

Subgrid machine-learning (machine learning [ML]) parameterizations have the potential to introduce a new generation of climate models that incorporate the effects of higher-resolution physics without incurring the prohibitive computational cost associated with more explicit physics-based simulations. However, important issues, ranging from online instability to inconsistent online performance, have limited their operational use for long-term climate projections. To more rapidly drive progress in solving these issues, domain scientists and ML researchers opened up the offline aspect of this problem to the broader ML and data science community with the release of ClimSim, a NeurIPS Data sets and Benchmarks publication, and an associated Kaggle competition. This paper reports on the downstream results of the Kaggle competition by coupling emulators inspired by the winning teams' architectures to an interactive climate model (including full cloud microphysics, a regime historically prone to online instability) and systematically evaluating their online performance. Our results demonstrate that online stability in the low-resolution real-geography setting is reproducible across multiple diverse architectures, which we consider a key milestone. All tested architectures exhibit strikingly similar offline and online biases, though their responses to architecture-agnostic design choices (e.g., expanding the list of input variables) can differ significantly. Multiple Kaggle-inspired architectures achieve state-of-the-art results on certain metrics such as zonal mean bias patterns and global Root Mean Squared Error, indicating that crowdsourcing the essence of the offline problem is one path to improving online performance in hybrid physics-AI climate simulation.

Environmental sciences↗
DOE OSTI2017

Organosolv-Water Cosolvent Phase Separation on Cellulose and its Influence on the Physical Deconstruction of Cellulose: A Molecular Dynamics Analysis

Deconstruction of cellulose is crucial for the chemical conversion of lignocellulose into fuel/bioproduct precursors. Recently, a water-organosolv cosolvent system (THF-water) has been shown to both phase-separate on cellulose surfaces and partially deconstruct Avicel (cellulose) in the absence of acid. Here we employ molecular dynamics simulations to determine whether other common water-organosolv cosolvent systems (acetone, ethanol, and γ-valerolactone) exhibit phase separation at cellulose surface and whether this alters a purely physical cellulose dissociation pathway. Despite finding varied degrees of phase-separation of organosolv on cellulose surfaces, physical dissociation is not enhanced. Interestingly, however, the total amount the median water-cellulose contact lifetimes increases for the cosolvent systems in the order of THF > acetone > ethanol > γ-valerolactone. Together our results indicate two points: a purely physical process for deconstruction of cellulose is unlikely for these cosolvents, and in THF-water, unlike γ-valerolactone- (and some concentrations of acetone and ethanol) water cosolvents, a significant fraction of surface water is slowed. As a result, this slowing may be of importance in enhancing chemical deconstruction of cellulose, as it permits an increase in potential THF-water-cellulose reactions, even while the amount of water near cellulose is decreased.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Multi-scale physics of bipolar membranes in electrochemical processes

Bipolar membranes (BPMs) enable control of ion concentrations and fluxes in electrochemical cells suitable for a wide range of applications. Here, in this work, we present the multi-scale physics of BPMs in an electrochemical engineering context and articulate design principles to drive the development of advanced BPMs. The chemistry, structure, and physics of BPMs are illustrated and related to the thermodynamics, transport phenomena, and chemical kinetics that dictate ion and species fluxes and selectivity. These interactions give rise to emergent structure–property–performance relationships that yield design criteria for BPMs that achieve high permselectivity, durability, and voltaic efficiency. The resulting performance trade-offs for BPMs are presented in the context of emerging applications in energy conversion or storage, and environmental remediation. By connecting the fundamental physical phenomena in BPMs to device-level performance and engineering, we aim to facilitate the development of next-generation BPMs for sustainable electrochemical processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

H-theorem in quantum physics

Remarkable progress of quantum information theory (QIT) allowed to formulate mathematical theorems for conditions that data-transmitting or data-processing occurs with a non-negative entropy gain. However, relation of these results formulated in terms of entropy gain in quantum channels to temporal evolution of real physical systems is not thoroughly understood. Here we build on the mathematical formalism provided by QIT to formulate the quantum H-theorem in terms of physical observables. We discuss the manifestation of the second law of thermodynamics in quantum physics and uncover special situations where the second law can be violated. Lastly, we further demonstrate that the typical evolution of energy-isolated quantum systems occurs with non-diminishing entropy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Foreword to Special Issue: Papers from the 52nd Annual Meeting of the APS Division of Plasma Physics, Chicago, Illinois, USA, 2010

We present in this Special Issue of Physics of Plasmas the review, tutorial, and invited papers of the 2010 Annual Meeting of the American Physical Society's (APS) Division of Plasma Physics. This was the 52nd year of this meeting, and it was held in Chicago, Illinois on 8-12 November 2010. The meeting program was made up of over 100 review, tutorial, and invited oral presentations, and a significant fraction of these speakers prepared manuscripts which were peer-reviewed and are contained in this Special Issue.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2011

Applications of AdS/QCD and Light-Front Holography to Baryon Physics

The correspondence between theories in anti--de Sitter space and field theories in physical space-time leads to an analytic, semiclassical model for strongly-coupled QCD which has scale invariance at short distances and color confinement at large distances. These equations, for both mesons and baryons, give a very good representation of the observed hadronic spectrum, including a zero mass pion. Light-front holography allows hadronic amplitudes in the AdS fifth dimension to be mapped to frame-independent light-front wavefunctions of hadrons in physical space-time, thus providing a relativistic description of hadrons at the amplitude level. The meson and baryon wave-functions derived from light-front holography and AdS/QCD also have remarkable phenomenological features, including predictions for the electromagnetic form factors and decay constants. The approach can be systematically improved using light-front Hamiltonian methods. Some novel features of QCD for baryon physics are also discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2011

J-PARC, facility for hadron physics, the present status and future

J-PARC was almost completed in early 2009 and started its operational era. Hadron Experimental Facility is one of the world-wide research centers for nuclear and hadron physics. The present status of the beamline and spectrometers as well as the physics program for nuclear and hadron physics is described. New beamline and experiments there are also introduced.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2011

Hadron Physics with PANDA at FAIR

The recently established FAIR facility in Darmstadt has a broad program in the field of hadron and nuclear physics utilizing ion beams with unprecedented intensity and accuracy. The PANDA experiment, which is integrated in the HESR storage ring for antiprotons is at the center of the hadron physics program. It includes among others topics like hadron spectroscopy in the charmonium mass region and below, hyperon physics and electromagnetic processes.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2012

Invited Review Article: Physics and Monte Carlo techniques as relevant to cryogenic, phonon, and ionization readout of Cryogenic Dark Matter Search radiation detectors

This review discusses detector physics and Monte Carlo techniques for cryogenic, radiation detectors that utilize combined phonon and ionization readout. A general review of cryogenic phonon and charge transport is provided along with specific details of the Cryogenic Dark Matter Search detector instrumentation. In particular, this review covers quasidiffusive phonon transport, which includes phonon focusing, anharmonic decay, and isotope scattering. The interaction of phonons in the detector surface is discussed along with the downconversion of phonons in superconducting films. The charge transport physics include a mass tensor which results from the crystal band structure and is modeled with a Herring-Vogt transformation. Charge scattering processes involve the creation of Neganov-Luke phonons. Transition-edge-sensor (TES) simulations include a full electric circuit description and all thermal processes including Joule heating, cooling to the substrate, and thermal diffusion within the TES, the latter of which is necessary to model normal-superconducting phase separation. Relevant numerical constants are provided for these physical processes in germanium, silicon, aluminum, and tungsten. Random number sampling methods including inverse cumulative distribution function (CDF) and rejection techniques are reviewed. To improve the efficiency of charge transport modeling, an additional second order inverse CDF method is developed here along with an efficient barycentric coordinate sampling method of electric fields. Results are provided in a manner that is convenient for use in Monte Carlo and references are provided for validation of these models.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

Effect of basic physical parameters to control plasma meniscus and beam halo formation in negative ion sources

Our previous study shows that the curvature of the plasma meniscus causes the beam halo in the negative ion sources: the negative ions extracted from the periphery of the meniscus are over-focused in the extractor due to the electrostatic lens effect, and consequently become the beam halo. In this article, the detail physics of the plasma meniscus and beam halo formation is investigated with two-dimensional particle-in-cell simulation. It is shown that the basic physical parameters such as the H{sup −} extraction voltage and the effective electron confinement time significantly affect the formation of the plasma meniscus and the resultant beam halo since the penetration of electric field for negative ion extraction depends on these physical parameters. Especially, the electron confinement time depends on the characteristic time of electron escape along the magnetic field as well as the characteristic time of electron diffusion across the magnetic field. The plasma meniscus penetrates deeply into the source plasma region when the effective electron confinement time is short. In this case, the curvature of the plasma meniscus becomes large, and consequently the fraction of the beam halo increases.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Light and dark: A survey of new physics ideas in the 1-100 MeV window

I review the set of theoretical ideas motivating experimental searches of light physics beyond Standard Model using the high-intensity electron beams. While 'dark photon' is the chief example of such physics, the other 'light and dark' states (e.g. 'Dark Higgses') are also of interest. I discuss particle physics, cosmology and astrophysics applications.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2014

Nonlinear physics of shear Alfvén waves

Shear Alfvén waves (SAW) play fundamental roles in thermonuclear plasmas of fusion interest, since they are readily excited by energetic particles in the MeV range as well as by the thermal plasma components. Thus, understanding fluctuation induced transport in burning plasmas requires understanding nonlinear SAW physics. There exist two possible routes to nonlinear SAW physics: (i) wave-wave interactions and the resultant spectral energy transfer; (ii) nonlinear wave-particle interactions of SAW instabilities with energetic particles. Within the first route, it is advantageous to understand and describe nonlinear processes in term of proximity of the system to the Alfvénic state, where wave-wave interactions are minimized due to the cancellation of Reynolds and Maxwell stresses. Here, various wave-wave nonlinear dynamics are elucidated in terms of how they break the Alfvénic state. In particular, we discuss the qualitative and quantitative modification of the SAW parametric decay process due to finite ion compressibility and finite ion Larmor radius. We also show that toroidal geometry plays a crucial role in the nonlinear excitation of zonal structures by Alfvén eigenmodes. Within the second route, the coherent nonlinear dynamics of structures in the energetic particle phase space, by which secular resonant particle transport can occur on meso- and macro-scales, must be addressed and understood. These 'nonlinear equilibria' or 'phase-space zonal structures' dynamically evolve on characteristic (fluctuation induced) turbulent transport time scales, which are generally of the same order of the nonlinear time scale of the underlying fluctuations. In this work, we introduce the general structure of nonlinear Schrödinger equations with complex integro-differential nonlinear terms, which govern these physical processes. To elucidate all these aspects, theoretical analyses are presented together with numerical simulation results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Perspective: Fifty years of density-functional theory in chemical physics

Since its formal inception in 1964–1965, Kohn-Sham density-functional theory (KS-DFT) has become the most popular electronic structure method in computational physics and chemistry. Its popularity stems from its beautifully simple conceptual framework and computational elegance. The rise of KS-DFT in chemical physics began in earnest in the mid 1980s, when crucial developments in its exchange-correlation term gave the theory predictive power competitive with well-developed wave-function methods. Today KS-DFT finds itself under increasing pressure to deliver higher and higher accuracy and to adapt to ever more challenging problems. If we are not mindful, however, these pressures may submerge the theory in the wave-function sea. KS-DFT might be lost. I am hopeful the Kohn-Sham philosophical, theoretical, and computational framework can be preserved. This Perspective outlines the history, basic concepts, and present status of KS-DFT in chemical physics, and offers suggestions for its future development.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Response to “Comment on ‘Magnetic geometry and physics of advanced divertors: The X-divertor and the snowflake’ ” [Phys. Plasmas 21, 054701 (2014)]

Relying on coil positions relative to the plasma, the “Comment on ‘Magnetic geometry and physics of advanced divertors: The X-divertor and the snowflake’ ” [Phys. Plasmas 21, 054701 (2014)], emphasizes a criterion for divertor characterization that was critiqued to be ill posed [M. Kotschenreuther et al., Phys. Plasmas 20, 102507 (2013)]. We find that no substantive physical differences flow from this criteria. However, using these criteria, the successful NSTX experiment by Ryutov et al. [Phys. Plasmas 21, 054701 (2014)] has the coil configuration of an X-divertor (XD), rather than a snowflake (SF). On completing the divertor index (DI) versus distance graph for this NSTX shot (which had an inexplicably missing region), we find that the DI is like an XD for most of the outboard wetted divertor plate. Further, the “proximity condition,” used to define an SF [M. Kotschenreuther et al., Phys. Plasmas 20, 102507 (2013)], does not have a substantive physics basis to override metrics based on flux expansion and line length. Finally, if the criteria of the comment are important, then the results of NSTX-like experiments could have questionable applicability to reactors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗