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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
NASA NTRS1960

Calculated Effects of Body Shape on the Bow-Shock Overpressures in the Far Field of Bodies in Supersonic Flow

A theory for the supersonic flow about bodies in uniform flight in a homogeneous medium is reviewed and an integral which expresses the effect of body shape upon the flow parameters in the far field is reduced to a form which may be readily evaluated for arbitrary body shapes. This expression is then used to investigate the effect of nose angle, fineness ratio, and location of maximum body cross section upon the far-field pressure jump across the bow-shock of slender bodies. Curves are presented showing the variation of the shock strength with each of these parameters. It is found that, for a wide variety of shapes having equal fineness ratios, the integral has nearly a constant value.

Lansing, Donald L.↗
DOE OSTI2012

RNA Processing Bodies, Peroxisomes, Golgi Bodies, Mitochondria, and Endoplasmic Reticulum Tubule Junctions Frequently Pause at Cortical Microtubules

Organelle motility, essential for cellular function, is driven by the cytoskeleton. In plants, actin filaments sustain the long-distance transport of many types of organelles, and microtubules typically fine-tune the motile behavior. In shoot epidermal cells of Arabidopsis thaliana seedlings, we show here that a type of RNA granule, the RNA processing body (P-body), is transported by actin filaments and pauses at cortical microtubules. Interestingly, removal of microtubules does not change the frequency of P-body pausing. Similarly, we show that Golgi bodies, peroxisomes, and mitochondria all pause at microtubules, and again the frequency of pauses is not appreciably changed after microtubules are depolymerized. To understand the basis for pausing, we examined the endoplasmic reticulum (ER), whose overall architecture depends on actin filaments. By the dual observation of ER and microtubules, we find that stable junctions of tubular ER occur mainly at microtubules. Removal of microtubules reduces the number of stable ER tubule junctions, but those remaining are maintained without microtubules. The results indicate that pausing on microtubules is a common attribute of motile organelles but that microtubules are not required for pausing. Here, we suggest that pausing on microtubules facilitates interactions between the ER and otherwise translocating organelles in the cell cortex.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Topology and many-body localization

We discuss the problem of localization in two dimensional electron systems in the quantum Hall (single Landau level) regime. After briefly summarizing the well-studied problem of Anderson localization in the non-interacting case, we concentrate on the problem of disorder induced many-body localization (MBL) in the presence of electron–electron interactions using numerical exact diagonalization and eigenvalue spacing statistics as a function of system size. We provide evidence showing that MBL is not attainable in a single Landau level with short range (white noise) disorder in the thermodynamic limit. We then study the interplay of topology and localization, by contrasting the behavior of topological and nontopological subbands arising from a single Landau level in two models — (i) a pair of extremely flat Hofstadter bands with an optimally chosen periodic potential, and (ii) a Landau level with a split-off nontopological impurity band. Both models provide convincing evidence for the strong effect of topology on the feasibility of many-body localization as well as slow dynamics starting from a nonequilibrium state with charge imbalance.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Connected three-body terms in single-reference unitary many-body theories: Iterative and perturbative approximations

This work introduces various approaches to include connected three-body terms in unitary many-body theories, focusing on the driven similarity renormalization group (DSRG). Starting from the least approximate method—the linearized DSRG truncated to one-, two-, and three-body operators [LDSRG(3)]—we develop several approximate LDSRG(3) models with reduced computational cost. Through a perturbative analysis, we motivate a family of iterative LDSRG(3)-n and -n' (n = 1, 2, 3, 4) methods that contain a subset of the LDSRG(3) diagrams. Among these variants, the LDSRG(3)-2 scheme has the same computational complexity of coupled cluster theory with singles, doubles, and triples (CCSDT), but it outperforms CCSDT in the accuracy of the predicted correlation energies. We also propose and implement two perturbative triples corrections based on the linearized DSRG truncated to one- and two-body operators augmented with recursive semi-quadratic commutators [qDSRG(2)]. Overall, the resulting qDSRG(2)+(T) approach matches the accuracy of the “gold-standard” coupled cluster theory with singles, doubles, and perturbative triples model on the energetics of twenty-eight closed-shell atoms and small molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Benchmark Electronic Structure Calculations for H 3 O + (H 2 O) n , n = 0–5, Clusters and Tests of an Existing 1,2,3-Body Potential Energy Surface with a New 4-Body Correction

We report a revision of a previously developed many-body (up to 3-body inter- actions) CCSD(T)-based potential energy surface (PES) for the hydrated proton and its extension that incorporates a simple 4-body term for the hydronium-water-water-water interactions. The new PES is parametrized from and tested against new extensive benchmark CCSD(T) Complete Basis Set (CBS) estimates of the binding energies of H3O+(H2O)n clusters, n=0-5, which include all known to date low-lying energy isomers. We report the energetics, structures and harmonic frequencies of the hydronium-water clusters using the PES and compare them against the new benchmarks as well as other best available ab initio results. This critical comparison demonstrates the high accuracy of the new many-body hydronium-water PES.

Heindel, Joseph P.↗
DOE OSTI2021

The many-body expansion for aqueous systems revisited: III. Hofmeister ion – water interactions

We report a Many Body Energy (MBE) analysis of aqueous ionic clusters containing anions and cations at the two opposite ends of the Hofmeister series, viz. the kosmotropes Ca2+, SO42- and chaotropes NH4+ and ClO4- with 9 water molecules to quantify the how these ions in altering the interaction between the water molecules in their immediate surrounding. The current results are contrasted to the ones reported earlier for water clusters as well as for alkali metal and halide ion aqueous clusters of the same size, which lie in the middle of the Hofmeister series. Through this analysis, noteworthy differences between the MBE of kosmotropes and chaotropes were identified. The MBE of kosmotropes is dominated by ion-water interactions that extends beyond the 4-body term, the point at which the MBE of pure water converges. The percentage contribution of the 2- B to the total cluster binding energy is noticeably larger. The disruption due to the dominant ion results in weak, unfavorable water-water interactions. The MBE for chaotropes, on the other hand, was found to converge more quickly as it more closely resembles that of pure water clusters. Chaotropes exhibit weaker overall binding energies and ion-water interactions with more favorable water-water interactions, somewhat recovering the pattern of the 2-4 body terms exemplified by pure water clusters. More importantly, both kosmotropic and chaotropic ions exhibit an anticorrelation between the 2-B ion-water (I-W) and water-water (W-W) interactions as well as between the 3-B (I-W-W) and (I-W) interactions. The consideration of two different structural arrangements (ion inside and outside of a water cluster) suggests that fully solvated (ion inside) chaotropes disrupt the hydrogen bonding network in a similar manner as partially solvated (ion outside) kosmotropes and offer useful insights into the modeling requirements of bulk vs. an interface. Finally, the 2-B contribution to the total Basis Set Superposition Error (BSSE) correction for the kosmotropic and chaotropic ions follows the previously reported erf profile vs. intermolecular distance. When scaled for the corresponding dimer energies and distances, a single profile fits the current results together with all previously reported ones for the pure water and halide water clusters.

Herman, Kristina M.↗
DOE OSTI2023

MBX: A many-body energy and force calculator for data-driven many-body simulations

Many-Body eXpansion (MBX) is a C++ library that implements many-body potential energy functions (PEFs) within the “many-body energy” (MB-nrg) formalism. MB-nrg PEFs integrate an underlying polarizable model with explicit machine-learned representations of many-body interactions to achieve chemical accuracy from the gas to the condensed phases. MBX can be employed either as a stand-alone package or as an energy/force engine that can be integrated with generic software for molecular dynamics and Monte Carlo simulations. MBX is parallelized internally using Open Multi-Processing and can utilize Message Passing Interface when available in interfaced molecular simulation software. In this study, MBX enables classical and quantum molecular simulations with MB-nrg PEFs, as well as hybrid simulations that combine conventional force fields and MB-nrg PEFs, for diverse systems ranging from small gas-phase clusters to aqueous solutions and molecular fluids to biomolecular systems and metal-organic frameworks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Three-cluster dynamics within the ab initio no-core shell model with continuum: How many-body correlations and α clustering shape He 6 [Three-Cluster Dynamics Within The Ab Initio No-Core Shell Model With Continuum: How Many-Body Correlations And Alpha-Clustering Shape 6He]

We realize the treatment of bound and continuum nuclear systems in the proximity of a three-body breakup threshold within the ab initio framework of the no-core shell model with continuum. Many-body eigenstates obtained from the diagonalization of the Hamiltonian within the harmonic-oscillator expansion of the no-core shell model are coupled with continuous microscopic three-cluster states to correctly describe the nuclear wave function both in the interior and asymptotic regions. We discuss the formalism in detail and give algebraic expressions for the case of core + n + n systems. Using similarity-renormalization-group evolved nucleon-nucleon interactions, we analyze the role of 4 He + n + n clustering and many-body correlations in the ground and low-lying continuum states of the Borromean 6 He nucleus, and study the dependence of the energy spectrum on the resolution scale of the interaction. We show that 6 He small binding energy and extended radii compatible with experiment can be obtained simultaneously, without resorting to extrapolations. Here, we also find that a significant portion of the ground-state energy and the narrow width of the first 2 + resonance stem from many-body correlations that can be interpreted as core-excitation effects.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Six-Body and Eight-Body Exciton States in Monolayer WSe 2

In the archetypal monolayer semiconductor WSe 2 , the distinct ordering of spin-polarized valleys (low-energy pockets) in the conduction band allows for studies of not only simple neutral excitons and charged excitons (i.e., trions), but also more complex many-body states that are predicted at higher electron densities. We discuss magneto-optical measurements of electron-rich WSe 2 monolayers and interpret the spectral lines that emerge at high electron doping as optical transitions of six-body exciton states (“hexcitons”) and eight-body exciton states (“oxcitons”). Additionally, these many-body states emerge when a photoexcited electron-hole pair interacts simultaneously with multiple Fermi seas, each having distinguishable spin and valley quantum numbers. In addition, we explain the relations between dark trions and satellite optical transitions of hexcitons in the photoluminescence spectrum.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Comparison of patient specific dose metrics between chest radiography, tomosynthesis, and CT for adult patients of wide ranging body habitus

Purpose: Given the radiation concerns inherent to the x-ray modalities, accurately estimating the radiation doses that patients receive during different imaging modalities is crucial. This study estimated organ doses, effective doses, and risk indices for the three clinical chest x-ray imaging techniques (chest radiography, tomosynthesis, and CT) using 59 anatomically variable voxelized phantoms and Monte Carlo simulation methods. Methods: A total of 59 computational anthropomorphic male and female extended cardiac-torso (XCAT) adult phantoms were used in this study. Organ doses and effective doses were estimated for a clinical radiography system with the capability of conducting chest radiography and tomosynthesis (Definium 8000, VolumeRAD, GE Healthcare) and a clinical CT system (LightSpeed VCT, GE Healthcare). A Monte Carlo dose simulation program (PENELOPE, version 2006, Universitat de Barcelona, Spain) was used to mimic these two clinical systems. The Duke University (Durham, NC) technique charts were used to determine the clinical techniques for the radiographic modalities. An exponential relationship between CTDI{sub vol} and patient diameter was used to determine the absolute dose values for CT. The simulations of the two clinical systems compute organ and tissue doses, which were then used to calculate effective dose and risk index. The calculation of the two dose metrics used the tissue weighting factors from ICRP Publication 103 and BEIR VII report. Results: The average effective dose of the chest posteroanterior examination was found to be 0.04 mSv, which was 1.3% that of the chest CT examination. The average effective dose of the chest tomosynthesis examination was found to be about ten times that of the chest posteroanterior examination and about 12% that of the chest CT examination. With increasing patient average chest diameter, both the effective dose and risk index for CT increased considerably in an exponential fashion, while these two dose metrics only increased slightly for radiographic modalities and for chest tomosynthesis. Effective and organ doses normalized to mAs all illustrated an exponential decrease with increasing patient size. As a surface organ, breast doses had less correlation with body size than that of lungs or liver. Conclusions: Patient body size has a much greater impact on radiation dose of chest CT examinations than chest radiography and tomosynthesis. The size of a patient should be considered when choosing the best thoracic imaging modality.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2020

Implementing Chiral Three-Body Forces in Terms of Medium-Dependent Two-Body Forces

Three-nucleon (3N) forces are an indispensable ingredient for accurate few-body and many- body nuclear structure and reaction theory calculations. While the direct implementation of chiral 3N forces can be technically very challenging, a simpler approach is given by employing instead a medium-dependent NN interaction V med that reflects the physics of three-body forces at the two-body normal-ordered approximation. We review the derivation and construction of Vmed from the chiral 3N interaction at next-to-next-to-leading order (N2LO), consisting of a long-range 2π-exchange term, a mid-range 1π-exchange component and a short-range contact-term. Several applications of V med to the equation of state of cold nuclear and neutron matter, the nucleon single-particle potential in nuclear matter, and the nuclear quasiparticle interaction are discussed. We also explore differences in using local vs. nonlocal regulating functions on 3N forces and make direct comparisons to exact results at low order in perturbation theory expansions for the equation of state and single-particle potential. We end with a discussion and numerical calculation of the in-medium NN potential V med from the next-to-next-to-next-to-leading order (N3LO) chiral 3N force, which consists of a series of long-range and short-range terms.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1975

The effects of body geometry on the structure in the near wake zone of bodies in a flowing plasma

Plasma wind tunnel experiments were performed to investigate the effects of body geometry and size on the structure of the ion flux in the near wake zone behind the body in a streaming plasma. The results are applicable to the development of wake and sheath experiments for Spacelab. The experiments indicate that the body's dimension in the flow direction does not alter the gross features of the near wake structure, but primarily determines the relative amplitude of the peak structure and the downstream distance at which it occurs for a given body potential relative to the plasma.

Oran, W. A.↗
NASA NTRS1984

Primate body temperature and sleep responses to lower body positive pressure

Cephalic fluid shifts, induced by lower body positive pressure (LBPP) are known to influence various physiological systems (i.e., cardiovascular and renal). In earlier experiments, an apparent change in the arousal state of primates in such LBPP conditions was observed. This study was designed to examine the effects of LBPP on arousal state and body temperature level which is normally correlated with sleep. Chair-restrained male squirrel monkeys were exposed to 40 mmHg LBPP for 90-100 minutes between the daytime hours of 13:00-15:00. Each monkey was placed in a specially modified restraint chair to which they were highly trained. Deep body temperature (DBT) was collected from 10 animals. Sleep parameters were obtained from six animals chronically implanted for sleep recording. A video camera was used to observe each animal's apparent state of arousal. LBPP resulted in an approximate 0.9 C decrease in DBT. During video observation, some animals appeared drowsy during LBPP; however, sleep recording revealed no significant changes in the state of arousal. Thus, LBPP is capable of inducing a mild hyperthermia. Further, the mechanisms underlying the observed lowering of body temperature appear to be independent of arousal state.

Edgar, D. M.↗
NASA NTRS1988

Application of transonic slender body theory to bodies of varying complexity

Transonic flows over several bodies of varying complexity including a simple wing-body combination and the Shuttle Orbiter have been modeled with the use of slender body theory. Flows with various angles of attack have been considered. Also some off-body flow calculations were conducted. For attached flows, the calculations predicted the pressure results with good accuracy.

Rajagopal, Karunamurthy↗
NASA NTRS1992

Shuttle-food consumption, body composition and body weight in women

An experiment is conducted to determine whether the NASA Space Shuttle food system can provide the food and fluid required to mitigate weight loss and physical decomposition in 12 female subjects for 28 days. Subjects receive only foods from the Space Shuttle system for four weeks within an 11-wk monitoring period. Dual-energy X-ray absorptiometry is employed throughout the trial period to study lean body mass, percent body fat, and energy-intake levels with attention given to differences the experimental diet and the subjects' typical diet. Percent body fat is found to change significantly with losses of less than 0.05 percent, whereas energy intake based on autonomous diet choices by the participants does not vary significantly. Lean body mass remains unchanged throughout the study in which the subjects receive a relatively low-fat and low-protein menu. The 100 items on the space shuttle list of approved food items are shown to provide a palatable dietary framework for maintaining the health of female astronauts.

Lane, Helen W.↗