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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 757 records · Page 42

Electrodynamics of solar wind-magnetosphere-ionosphere interactions

The paper presents a coherent picture of fundamental physical processes in three basic elements of the solar-wind/magnetosphere/ionosphere coupling system: (1) the field-aligned potential structure which leads to the formation of auroral arcs, (2) the magnetosphere-ionosphere coupling which leads to the onset of magnetospheric substorms, and (3) the solar-wind/magnetosphere dynamo which supplies the power driving various magnetospheric processes. Process (1) is forced into existence by the loss-cone constriction effect when the upward field-aligned current density exceeds the loss-cone thermal flux limit. Substorm onset occurs when the ionosphere responds fully to the enhanced magnetospheric convection driven by the solar wind. Energy is transferred from the solar wind to the magnetosphere by a dynamo process, primarily on open field lines.

Kan, Joseph R.↗

Effective Field Theory and Time-Reversal Violation in Light Nuclei

Thanks to the unnaturally small value of the QCD vacuum angle θ¯ ≲ 10 -10 , time–reversal violation offers a window into physics beyond the Standard Model (SM) of particle physics. We review the effective field theory framework that establishes a clean connection between (a) time–reversal violation mechanisms, which can be represented by higher-dimensional operators involving SM fields and symmetries, and (b) hadronic interactions, which allow for controlled calculations of low-energy observables involving strong interactions. The chiral properties of time–reversal violation mechanisms lead to a pattern that should be identifiable in measurements of the electric dipole moments of the nucleon and light nuclei.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Microwave remote sensing: Active and passive. Volume 1 - Microwave remote sensing fundamentals and radiometry

The three components of microwave remote sensing (sensor-scene interaction, sensor design, and measurement techniques), and the applications to geoscience are examined. The history of active and passive microwave sensing is reviewed, along with fundamental principles of electromagnetic wave propagation, antennas, and microwave interaction with atmospheric constituents. Radiometric concepts are reviewed, particularly for measurement problems for atmospheric and terrestrial sources of natural radiation. Particular attention is given to the emission by atmospheric gases, clouds, and rain as described by the radiative transfer function. Finally, the operation and performance characteristics of radiometer receivers are discussed, particularly for measurement precision, calibration techniques, and imaging considerations.

Ulaby, F. T.↗

Simulation of flame-turbulence interactions in premixed combustion

Turbulent combustion is a challenging problem of fundamental interest with numerous practical applications. Direct Numerical Simulation is an attractive tool that provides detailed information on flame-flow interactions and, thereby, provides an ideal basis for testing and developing turbulent combustion models. The work being undertaken to investigate the laminar flamelet concepts as applied to premixed combustion is described. More specifically, the influence of non-unity Lewis number with emphasis on the effects of hydrodynamic straining and flame front curvature is examined.

Trouve, Arnaud↗

Nonlinear Interaction of Frequency-Detuned Modes in Boundary Layers

The present critical-layer asymptotic analysis for the nonlinear interaction of frequency-detuned modes in boundary-layer transition indicates that the interaction between a plane mode at the fundamental frequency and a pair of symmetrical oblique waves at the near-subharmonic frequency amplifies another pair of symmetrical oblique waves at the 'mirror frequency'. This type of interaction is stronger in the frequency-detuned case than the resonant triad case, and leads to a sharp drop in the oblique waves' peak with small detuning.

Mankbadi, Reda R.↗

Search for charged-lepton-flavour violation in Z-boson decays with the ATLAS detector

Leptons with essentially the same properties apart from their mass are grouped into three families (or flavours). The number of leptons of each flavour is conserved in interactions, but this is not imposed by fundamental principles. Since the formulation of the standard model of particle physics, the observation of flavour oscillations among neutrinos has shown that lepton flavour is not conserved in neutrino weak interactions. So far, there has been no experimental evidence that this also occurs in interactions between charged leptons. Such an observation would be a sign of undiscovered particles or a yet unknown type of interaction. Here the ATLAS experiment at the Large Hadron Collider at CERN reports a constraint on lepton-flavour-violating effects in weak interactions, searching for Z -boson decays into a τ lepton and another lepton of different flavour with opposite electric charge. The branching fractions for these decays are measured to be less than 8.1 × 10 –6 ( eτ ) and 9.5 × 10 –6 ( μτ ) at the 95% confidence level using 139 fb –1 of proton–proton collision data at a centre-of-mass energy of $\sqrt{s}=13$ TeV and 20.3 fb –1 at $\sqrt{s}=8$ TeV. These results supersede the limits from the Large Electron–Positron Collider experiments conducted more than two decades ago.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Fine-tuning the release of molecular guests from mesoporous silicas by controlling the orientation and mobility of surface phenyl substituents

Phenyl-functionalized mesoporous silica materials were used to explore the effect of non-covalent interactions on the release of Ibuprofen into simulated body fluid. Variations in orientation and conformational mobility of the surface phenyl groups were introduced by selecting different structural precursors: a rigid upright orientation was obtained using phenyl groups directly bound to surface Si atoms (Ph-MSN), mobile groups were produced by using ethylene linkers to connect phenyl groups to the surface (PhEt-MSN), and groups co-planar to the surface were obtained by synthesizing a phenylene-bridged periodic mesoporous organosilica (Ph-PMO). The Ibuprofen release profiles from these materials and non-functionalized mesoporous silica nanoparticles (MSN) were analyzed using an adsorption-diffusion model. The model provided kinetic and thermodynamic parameters that evidenced fundamental differences in drug-surface interactions between the materials. All phenyl-bearing materials show lower Ibuprofen initial release rates than bare MSN. The conformationally locked Ph-MSN and Ph-PMO have stronger interactions with the drug (negative ΔG of adsorption) than the flexible PhEt-MSN and bare MSN (positive ΔG of adsorption). These differences in strength of adsorption are consistent with differences between interaction geometries obtained from DFT calculations. B3LYP-D3-optimized models show that π-π interactions contribute more to drug adsorption than H-bonding with silanol groups. Here, the results suggest that the type and geometry of interactions control the kinetics and extent of drug release, and should therefore serve as a guide to design new drug delivery systems with precise release behaviors customized to any desired target.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

C HIMERA : A Massively Parallel Code for Core-collapse Supernova Simulations

Herein we provide a detailed description of the C HIMERA code, a code developed to model core collapse supernovae (CCSNe) in multiple spatial dimensions. The CCSN explosion mechanism remains the subject of intense research. Progress to date demonstrates that it involves a complex interplay of neutrino production, transport, and interaction in the stellar core, three-dimensional stellar core fluid dynamics and its associated instabilities, nuclear burning, and the fundamental physics of the neutrino–stellar core weak interactions and the equations of state of all stellar core constituents—particularly, the nuclear equation of state associated with core nucleons, both free and bound in nuclei. C HIMERA , by incorporating detailed neutrino transport, realistic neutrino–matter interactions, three-dimensional hydrodynamics, realistic nuclear, leptonic, and photonic equations of state, and a nuclear reaction network, along with other refinements, can be used to study the role of neutrino radiation, hydrodynamic instabilities, and a variety of input physics in the explosion mechanism itself. It can also be used to compute observables such as neutrino signatures, gravitational radiation, and the products of nucleosynthesis associated with CCSNe. The code contains modules for neutrino transport, multidimensional compressible hydrodynamics, nuclear reactions, a variety of neutrino interactions, equations of state, and modules to provide data for post-processing observables such as the products of nucleosynthesis, and gravitational radiation. C HIMERA is an evolving code, being updated periodically with improved input physics and numerical refinements. We detail here the current version of the code, from which future improvements will stem, which can in turn be described as needed in future publications.

79 ASTRONOMY AND ASTROPHYSICS↗

Relativistic plasma physics in supercritical fields

Since the invention of chirped pulse amplification, which was recognized by a Nobel Prize in physics in 2018, there has been a continuing increase in available laser intensity. Combined with advances in our understanding of the kinetics of relativistic plasma, studies of laser-plasma interactions are entering a new regime where the physics of relativistic plasmas is strongly affected by strong-field quantum electrodynamics (QED) processes, including hard photon emission and electron-positron (e⁻-e⁺) pair production. Additionally, this coupling of quantum emission processes and relativistic collective particle dynamics can result in dramatically new plasma physics phenomena, such as the generation of dense e⁻-e⁺ pair plasma from near vacuum, complete laser energy absorption by QED processes, or the stopping of an ultra-relativistic electron beam, which could penetrate a cm of lead, by a hair's breadth of laser light. In addition to being of fundamental interest, it is crucial to study this new regime to understand the next generation of ultra-high intensity laser-matter experiments and their resulting applications, such as high energy ion, electron, positron, and photon sources for fundamental physics studies, medical radiotherapy, and next generation radiography for homeland security and industry.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Nonequilibrium DMFT + CPA for correlated disordered systems

We present a solution for the nonequilibrium dynamics of an interacting disordered system. The approach adapts the combination of the equilibrium dynamical mean-field theory and the equilibrium coherent potential approximation methods to the nonequilibrium many-body formalism, using the Kadanoff-Baym-Keldysh complex time contour, for the dynamics of interacting disordered systems away from equilibrium. We use our time domain solution to obtain the equilibrium density of states of the disordered interacting system described by the Anderson-Hubbard model, bypassing the necessity for the cumbersome analytical continuation process. We further apply the nonequilibrium solution to the interaction quench problem for an isolated disordered system. Here, the interaction is abruptly changed from zero (noninteracting system) to another constant (finite) value at which it is subsequently kept. We observe via the time dependence of the potential, kinetic, and total energies the effect of disorder on the relaxation of the system as a function of final interaction strength. Finally, the real-time approach has the potential to shed light on the fundamental role of disorder in the nonequilibrium dynamics of interacting quantum systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Dilute Paramagnetism and Non-Trivial Topology in Quasicrystal Approximant Fe4Al13

A very fundamental property of both weakly and strongly interacting materials is the nature of their magnetic response. In this work, we detail the growth of crystals of the quasicrystal approximant Fe4Al13 with an Al flux solvent method. We characterize our samples using electrical transport and heat capacity, yielding results consistent with a simple non-magnetic metal. However, magnetization measurements portray an extremely unusual response for a dilute paramagnet and do not exhibit the characteristic Curie behavior expected for a weakly interacting material at high temperature. Electronic structure calculations confirm metallic behavior but also indicate that each isolated band near the Fermi energy hosts non-trivial topologies, including strong, weak, and nodal components, with resultant topological surface states distinguishable from bulk states on the (001) surface. With half-filled flat bands apparent in the calculation, but an absence of long-range magnetic order, the unusual quasi-paramagnetic response suggests the dilute paramagnetic behavior in this quasicrystal approximant is surprising and may serve as a test of the fundamental assumptions that are taken for granted for the magnetic response of weakly interacting systems.

Avers, Keenan E. (ORCID:0000000223441939)↗

Rovibrational spectroscopic constants and fundamental vibrational frequencies for isotopologues of cyclic and bent singlet HC{sub 2}N isomers

Through established, highly accurate ab initio quartic force fields, a complete set of fundamental vibrational frequencies, rotational constants, and rovibrational coupling and centrifugal distortion constants have been determined for both the cyclic 1 {sup 1} A' and bent 2 {sup 1} A' DCCN, H{sup 13}CCN, HC{sup 13}CN, and HCC{sup 15}N isotopologues of HCCN. Spectroscopic constants are computed for all isotopologues using second-order vibrational perturbation theory (VPT2), and the fundamental vibrational frequencies are computed with VPT2 and vibrational configuration interaction (VCI) theory. Agreement between VPT2 and VCI results is quite good, with the fundamental vibrational frequencies of the bent isomer isotopologues in accord to within a 0.1-3.2 cm{sup –1} range. Similar accuracies are present for the cyclic isomer isotopologues. The data generated here serve as a reference for astronomical observations of these closed-shell, highly dipolar molecules using new, high-resolution telescopes and as reference for laboratory studies where isotopic labeling may lead to elucidation of the formation mechanism for the known interstellar molecule: X {sup 3} A' HCCN.

79 ASTRONOMY AND ASTROPHYSICS↗

From genomes to metabolomes: Understanding mechanisms of symbiosis and cell-cell signaling using the archaeal system Ignicoccus-Nanoarchaeum

The main objective of this project was to use symbiotic Nanoarchaeaota, a group of thermophilic Archaea that are obligate symbionts/parasites on other Archaea, to develop an integrated multi-omic approach to study inter-species interactions as well as to understand fundamental mechanism that enable such relationships. As part of this grant we have achieved a number of important milestone on both technical and scientific levels. On the technical side, we developed immunofluorescence labeling and tracking methods to follow Nanoarchaeota in cultures and in environmental samples, we applied such methods in conjunction with flow cytometry to quantify and isolate uncultured representatives from the environment and characterized them by single cell genomics. On the proteomics side, we developed a more efficient and sensitive method to recover and semi-quantitatively measure membrane proteins, while achieving high total cellular proteome coverage (70-80% of the predicted proteome). Metabolomic analyses used complementary NMR and LC/GC mass spectrometry and led to the identification of novel lipids in these organisms as well as quantification of some of the major metabolites. Importantly, using several informatics approaches we were also able to integrate the transcriptomic, proteomic and metabolomic datasets, revealing aspects of the interspecies interaction that were not evident in the single omic analyses (manuscript in review). On the science side we determined that N. equitans and I. hospitalis are metabolically coupled and that N. equitans is strictly dependent on its host both for metabolic precursors and energetic needs. The actual mechanism by which small molecules move across the cell membrane remains unknown. The Ignicoccus host responds to the metabolic and energetic burned by upregulating of key primary metabolism steps and ATP synthesis. The two species have co-evolved, aspect that we determined by comparative genomics with other species of Ignicoccus (manuscript in preparation) and by characterizing other similar Nanoarchaeota systems. Using a single cell genomics approach we characterized the first terrestrial geothermal Nanoarchaeota system, from Yellowstone National Park. That nanoarchaeon uses a different host, a species of Sulfolobales, and comparative genomics with N. equitans-Ignicoccus allowed us to come up with an evolutionary model for the evolution of this group of organisms across marine and terrestrial ecosystems. Based on metabolic inferences we were also able to isolate in culture the first such terrestrial nanoarchaeal system, also from Yellowstone, which involves a species of Acidilobus. The novel nanoarchaeal system was characterized using proteomics and it helped us better understand the metabolic capabilities of these organisms as well as how co-evolution shapes the genomes of interacting species. It was also one of the very few cases in which prior genomic data was used to successfully design an approach to culture an organism, which remains the gold standard in microbiology research. As a better understanding of interspecies interaction requires multiple model systems, we have pursued identification and genomic characterization or isolation of additional nanoarchaeal systems from geographically and geochemically distinct environments. Two additional nanoarchaeal systems are presently being characterized from hot springs in Yellowstone and Iceland and will be the subject to future publications.

59 BASIC BIOLOGICAL SCIENCES↗

Communication: Contrasting effects of glycerol and DMSO on lipid membrane surface hydration dynamics and forces

Glycerol and dimethyl sulfoxide (DMSO) are commonly used cryoprotectants in cellular systems, but due to the challenges of measuring the properties of surface-bound solvent, fundamental questions remain regarding the concentration, interactions, and conformation of these solutes at lipid membrane surfaces. We measured the surface water diffusivity at gel-phase dipalmitoylphosphatidylcholine (DPPC) bilayer surfaces in aqueous solutions containing ≤7.5 mol. % of DMSO or glycerol using Overhauser dynamic nuclear polarization. We found that glycerol similarly affects the diffusivity of water near the bilayer surface and that in the bulk solution (within 20%), while DMSO substantially increases the diffusivity of surface water relative to bulk water. We compare these measurements of water dynamics with those of equilibrium forces between DPPC bilayers in the same solvent mixtures. DMSO greatly decreases the range and magnitude of the repulsive forces between the bilayers, whereas glycerol increases it. We propose that the differences in hydrogen bonding capability of the two solutes leads DMSO to dehydrate the lipid head groups, while glycerol affects surface hydration only as much as it affects the bulk water properties. The results suggest that the mechanism of the two most common cryoprotectants must be fundamentally different: in the case of DMSO by decoupling the solvent from the lipid surface, and in the case of glycerol by altering the hydrogen bond structure and intermolecular cohesion of the global solvent, as manifested by increased solvent viscosity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Temperature-dependent conformations of exciton-coupled Cy3 dimers in double-stranded DNA

Understanding the properties of electronically interacting molecular chromophores, which involve internally coupled electronic-vibrational motions, is important to the spectroscopy of many biologically relevant systems. In this paper, we apply linear absorption, circular dichroism, and two-dimensional fluorescence spectroscopy to study the polarized collective excitations of excitonically coupled cyanine dimers (Cy3) 2 that are rigidly positioned within the opposing sugar-phosphate backbones of the double-stranded region of a double-stranded (ds)–single-stranded (ss) DNA fork construct. We show that the exciton-coupling strength of the (Cy3) 2 -DNA construct can be systematically varied with temperature below the ds–ss DNA denaturation transition. We interpret spectroscopic measurements in terms of the Holstein vibronic dimer model, from which we obtain information about the local conformation of the (Cy3) 2 dimer, as well as the degree of static disorder experienced by the Cy3 monomer and the (Cy3) 2 dimer probe locally within their respective DNA duplex environments. The properties of the (Cy3) 2 -DNA construct we determine suggest that it may be employed as a useful model system to test fundamental concepts of protein-DNA interactions and the role of electronic-vibrational coherence in electronic energy migration within exciton-coupled bio-molecular arrays.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Chapter 2: Blade-Resolved Modeling with Fluid-Structure Interaction

Blade -resolved simulations are a high-fidelity modeling tool that helps understand the fundamental flow physics that create loads on wind turbines. Along with fluid - structure interaction (FSI), they provide a foundation to improve the state-of-the-art aerodynamic models of modern wind turbines with large flexible blades and thus the design of the next generation of wind turbines. One of the most important parts of wind-turbine simulation is modeling the conversion of kinetic energy in the wind into mechanical energy using principles of aerodynamics. The hierarchies of aerodynamic models for wind turbines in increasing the order of complexity, cost, and fidelity are blade element momentum (BEM) theory (BEMT), vortex methods, actuator disc/line methods, and blade -resolved modeling.

17 WIND ENERGY↗

Tunable Quantum Dot Solids: Impact of Interparticle Interactions on Bulk Properties

QD-solids comprising self-assembled semiconductor nanocrystals such as CdSe are currently under investigation for use in a wide array of applications including light emitting diodes, solar cells, field effect transistors, photodetectors, and biosensors. The goal of this LDRD project was develop a fundamental understanding of the relationship between nanoparticle interactions and the different regimes of charge and energy transport in semiconductor quantum dot (QD) solids. Interparticle spacing was tuned through the application of hydrostatic pressure in a diamond anvil cell, and the impact on interparticle interactions was probed using x-ray scattering and a variety of static and transient optical spectroscopies. During the course of this LDRD, we discovered a new, previously unknown, route to synthesize semiconductor quantum wires using high pressure sintering of self-assembled quantum dot crystals. We believe that this new, pressure driven synthesis approach holds great potential as a new tool for nanomaterials synthesis and engineering.

36 MATERIALS SCIENCE↗

Particle Physics at the Cosmic, Intensity, and Energy Frontiers

Major efforts at the Intensity, Cosmic, and Energy frontiers of particle physics are rapidly furthering our understanding of the fundamental constituents of Nature and their interactions. The overall objectives of this research project are (1) to interpret and develop the theoretical implications of the data collected at these frontiers and (2) to provide the theoretical motivation, basis, and ideas for new experiments and for new analyses of experimental data. Within the Intensity Frontier, an experimental search for a new force mediated by a GeV-scale gauge boson will be carried out with the $A'$ Experiment (APEX) and the Heavy Photon Search (HPS), both at Jefferson Laboratory. Within the Cosmic Frontier, contributions are planned to the search for dark matter particles with the Fermi Gamma-ray Space Telescope and other instruments. A detailed exploration will also be performed of new direct detection strategies for dark matter particles with sub-GeV masses to facilitate the development of new experiments. In addition, the theoretical implications of existing and future dark matter-related anomalies will be examined. Within the Energy Frontier, the implications of the data from the Large Hadron Collider will be investigated. Novel search strategies will be developed to aid the search for new phenomena not described by the Standard Model of particle physics. By combining insights from all three particle physics frontiers, this research aims to increase our understanding of fundamental particle physics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗