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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 1,639 records · Page 91
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Flux, Impact, and Fate of Halogenated Xenobiotic Compounds in the Gut

Humans and their associated microbiomes are exposed to numerous xenobiotics through drugs, dietary components, personal care products as well as environmental chemicals. Most of the reciprocal interactions between the microbiota and xenobiotics, such as halogenated compounds, occur within the human gut harboring diverse and dense microbial communities. Here, we provide an overview of the flux of halogenated compounds in the environment, and diverse exposure routes of human microbiota to these compounds. Subsequently, we review the impact of halogenated compounds in perturbing the structure and function of gut microbiota and host cells. In turn, cultivation-dependent and metagenomic surveys of dehalogenating genes revealed the potential of the gut microbiota to chemically alter halogenated xenobiotics and impact their fate. Finally, we provide an outlook for future research to draw attention and attract interest to study the bidirectional impact of halogenated and other xenobiotic compounds and the gut microbiota.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2014

Investigating Flow-Structure Interactions in Cerebral Aneurysms

Visualization of blood flow in a cerebral aneurysm. Streamlines (colored by fluid velocity magnitude) reveal the complexity of the flow, isocontours of vorticity show blood vortex structures (colored by pressure), and the flexible arterial wall is colored by the stress magnitude, where regions in red indicate areas of high stress. Credits: Science: Paris Perdikaris, Yue Yu, George Em. Karniadakis and Leopold Grinberg Visualization: Joseph A. Insley and Michael E. Papka

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2012

Enforced Presentation of an Extrahelical Guanine to the Lesion Recognition Pocket of Human 8-Oxoguanine Glycosylase, hOGG1

A poorly understood aspect of DNA repair proteins is their ability to identify exceedingly rare sites of damage embedded in a large excess of nearly identical undamaged DNA, while catalyzing repair only at the damaged sites. Progress toward understanding this problem has been made by comparing the structures and biochemical behavior of these enzymes when they are presented with either a target lesion or a corresponding undamaged nucleobase. Trapping and analyzing such DNA-protein complexes is particularly difficult in the case of base extrusion DNA repair proteins because of the complexity of the repair reaction, which involves extrusion of the target base from DNA followed by its insertion into the active site where glycosidic bond cleavage is catalyzed. Here we report the structure of a human 8-oxoguanine (oxoG) DNA glycosylase, hOGG1, in which a normal guanine from DNA has been forcibly inserted into the enzyme active site. Although the interactions of the nucleobase with the active site are only subtly different for G versus oxoG, hOGG1 fails to catalyze excision of the normal nucleobase. This study demonstrates that even if hOGG1 mistakenly inserts a normal base into its active site, the enzyme can still reject it on the basis of catalytic incompatibility.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

A Highly Stretchy, Transparent Elastomer with the Capability to Automatically Self-Heal Underwater

Polymer materials that are able to self-heal in humid conditions or even in water are highly desirable for their industrial applications. However, the development of underwater self-healing polymer materials is very challenging since water molecules can readily disturb traditional noncovalent bonds, such as saturate the hydrogen bonds, coordinate with the metal cation, as well as solvate the ions. Here, a new type of dipole–dipole interactions is employed as the driving force, combining with highly polar and hydrophobic fluorinated polymers, to successfully demonstrate an underwater self-healing elastomer. Additionally, the polymer materials are transparent and stretchable. They can remain stable underwater for months without significant decay of mechanical properties. Upon mechanical damage, the material is able to self-heal automatically in air, underwater, and under very harsh aqueous conditions (including seawater, highly acidic media, and highly basic media, etc.).

36 MATERIALS SCIENCE↗
NASA NTRS1988

SARSCEST (human factors)

People interact with the processes and products of contemporary technology. Individuals are affected by these in various ways and individuals shape them. Such interactions come under the label 'human factors'. To expand the understanding of those to whom the term is relatively unfamiliar, its domain includes both an applied science and applications of knowledge. It means both research and development, with implications of research both for basic science and for development. It encompasses not only design and testing but also training and personnel requirements, even though some unwisely try to split these apart both by name and institutionally. The territory includes more than performance at work, though concentration on that aspect, epitomized in the derivation of the term ergonomics, has overshadowed human factors interest in interactions between technology and the home, health, safety, consumers, children and later life, the handicapped, sports and recreation education, and travel. Two aspects of technology considered most significant for work performance, systems and automation, and several approaches to these, are discussed.

Parsons, H. Mcilvaine↗
DOE OSTI2024

An attractive model: simulating fuzzy dark matter with attractive self-interactions

ABSTRACT Fuzzy dark matter (FDM), comprised of ultralight ($m \sim 10^{-22}\,{\rm eV}$) boson particles, has received significant attention as a viable alternative to cold dark matter (CDM), as it approximates CDM on large scales (${\gtrsim}1$ Mpc) while potentially resolving some of its small-scale problems via kiloparsec-scale quantum interference. However, the most basic FDM model, with one free parameter (the boson mass), is subject to a tension: small boson masses yield the desired cores of dwarf galaxies but underpredict structure in the Lyman-α forest, while large boson masses render FDM effectively identical to CDM. This Catch-22 problem may be alleviated by considering an axion-like particle with attractive particle self-interactions. We simulate an idealized FDM halo with self-interactions parametrized by an energy decay constant $f \sim 10^{15}~\rm {GeV}$ related to the axion symmetry-breaking conjectured to solve the strong-CP problem in particle physics. We observe solitons, a hallmark of FDM, condensing within a broader halo envelope, and find that the density profile and soliton mass depend on self-interaction strength. We propose generalized formulae to extend those from previous works to include self-interactions. We also investigate a critical mass threshold predicted for strong interactions at which the soliton collapses into a compact, unresolved state. We find that the collapse happens quickly, and its effects are initially contained to the central region of the halo.

Painter, Connor A. (ORCID:0000000235314806)↗
DOE OSTI2013

Determination of the Average Aromatic Cluster Size of Fossil Fuels by Solid-State NMR at High Magnetic Field

We show that the average aromatic cluster size in complex carbonaceous materials can be accurately determined using fast magic-angle spinning (MAS) NMR at a high magnetic field. To accurately quantify the nonprotonated aromatic carbon, we edited the 13C spectra using the recently reported MAS-synchronized spin–echo, which alleviated the problem of rotational recoupling of 1H-13C dipolar interactions associated with traditional dipolar dephasing experiments. The dependability of this approach was demonstrated on selected Argonne Premium coal standards, for which full sets of basic structural parameters were determined with high accuracy.

36 MATERIALS SCIENCE↗
DOE OSTI2013

State of Supported Pd during Catalysis in Water

In operando X-ray absorption was used to measure the structure and chemical state of supported Pd nanoparticles with 3 -10 nm diameter in contact with H2 saturated water at 298-473 K. The Pd-Pd distances determined were consistent with the presence of subsurface hydrogen, i.e., longer than those measured by others for bare, reduced Pd particles, and within the range of distances for Pd hydrides. During the Pd-catalyzed hydrogenation of phenol, cyclohexanone, cyclohexanol or cyclohexene in the presence of water, the Pd nanoparticles exhibited a lengthening of the Pd-Pd bond that we attribute to a change in the concentration of sorbed H related to the steady state of H at the surface of the Pd particles. This steady state is established by all reactions involving H2, i.e., the sorption/desorption into the bulk, the sorption at the surface, and the reaction with adsorbed unsaturated reactants. Thus, first insight into the chemical state of Pd and the H/Pd ratio during catalysis in water is provided. The Pd particles did not change upon their exposure to water or reactants; nor did the spectra show any effect from the interaction of the Pd particles with various supports. The experimental results are consistent with ab initio molecular dynamic simulations, which indicate that Pd-water interactions are relatively weak for Pd metal and that these interactions become even weaker, when hydrogen is incorporated into the metal particles. This work was supported by the US Department of Energy (DOE), Office of Basic Energy Sciences (BES), Division of Chemical Sciences, Geosciences & Biosciences. Pacific Northwest National Laboratory is a multi-program national laboratory operated for DOE by Battelle through Contract DE-AC05-76RL01830.

hydrodeoxygenation↗
DOE OSTI2014

Investigating the significance of zero-point motion in small molecular clusters of sulphuric acid and water

The nucleation of particles from trace gases in the atmosphere is an important source of cloud condensation nuclei, and these are vital for the formation of clouds in view of the high supersaturations required for homogeneous water droplet nucleation. The methods of quantum chemistry have increasingly been employed to model nucleation due to their high accuracy and efficiency in calculating configurational energies; and nucleation rates can be obtained from the associated free energies of particle formation. However, even in such advanced approaches, it is typically assumed that the nuclei have a classical nature, which is questionable for some systems. The importance of zero-point motion (also known as quantum nuclear dynamics) in modelling small clusters of sulphuric acid and water is tested here using the path integral molecular dynamics method at the density functional level of theory. The general effect of zero-point motion is to distort the mean structure slightly, and to promote the extent of proton transfer with respect to classical behaviour. In a particular configuration of one sulphuric acid molecule with three waters, the range of positions explored by a proton between a sulphuric acid and a water molecule at 300 K (a broad range in contrast to the confinement suggested by geometry optimisation at 0 K) is clearly affected by the inclusion of zero point motion, and similar effects are observed for other configurations.

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

Ferroelectric-like hysteresis loop originated from non-ferroelectric effects

Piezoresponse force microscopy (PFM) has provided advanced nanoscale understanding and analysis of ferroelectric and piezoelectric properties. In PFM-based studies, electromechanical strain induced by the converse piezoelectric effect is probed and analyzed as a PFM response. However, electromechanical strain can also arise from several non-piezoelectric origins that may lead to a misinterpretation of the observed response. Among them, electrostatic interaction can significantly affect the PFM response. Nonetheless, previous studies explored solely the influence of electrostatic interaction on the PFM response under the situation accompanied with polarization switching. Here, we show the influence of the electrostatic interaction in the absence of polarization switching by using unipolar voltage sweep. The obtained results reveal that the electromechanical neutralization between piezoresponse of polarization and electrostatic interaction plays a crucial role in the observed ferroelectric-like hysteresis loop despite the absence of polarization switching. Furthermore, our work can provide a basic guideline for the correct interpretation of the hysteresis loop in PFM-based studies.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Environmental limitation mapping of potential biomass resources across the conterminous U nited S tates

Abstract Several crops have recently been identified as potential dedicated bioenergy feedstocks for the production of power, fuels, and bioproducts. Despite being identified as early as the 1980s, no systematic work has been undertaken to characterize the spatial distribution of their long‐term production potentials in the United states. Such information is a starting point for planners and economic modelers, and there is a need for this spatial information to be developed in a consistent manner for a variety of crops, so that their production potentials can be intercompared to support crop selection decisions. As part of the Sun Grant Regional Feedstock Partnership (RFP), an approach to mapping these potential biomass resources was developed to take advantage of the informational synergy realized when bringing together coordinated field trials, close interaction with expert agronomists, and spatial modeling into a single, collaborative effort. A modeling and mapping system called PRISM‐ELM was designed to answer a basic question: How do climate and soil characteristics affect the spatial distribution and long‐term production patterns of a given crop? This empirical/mechanistic/biogeographical hybrid model employs a limiting factor approach, where productivity is determined by the most limiting of the factors addressed in submodels that simulate water balance, winter low‐temperature response, summer high‐temperature response, and soil pH , salinity, and drainage. Yield maps are developed through linear regressions relating soil and climate attributes to reported yield data. The model was parameterized and validated using grain yield data for winter wheat and maize, which served as benchmarks for parameterizing the model for upland and lowland switchgrass, CRP grasses, Miscanthus, biomass sorghum, energycane, willow, and poplar. The resulting maps served as potential production inputs to analyses comparing the viability of biomass crops under various economic scenarios. The modeling and parameterization framework can be expanded to include other biomass crops.

09 BIOMASS FUELS↗
DOE OSTI2017

Phenomenology and Astrophysics of Gravitationally-Bound Condensates of Axion-Like Particles

Light, spin-0 particles are ubiquitous in theories of physics beyond the Standard Model, and many of these make good candidates for the identity of dark matter. One very well-motivated candidate of this type is the axion. Due to their small mass and adherence to Bose statistics, axions can coalesce into heavy, gravitationally-bound condensates known as boson stars, also known as axion stars (in particular). In this work, we outline our recent progress in attempts to determine the properties of axion stars. We begin with a brief overview of the Standard Model, axions, and bosonic condensates in general. Then, in the context of axion stars, we will present our recent work, which includes: numerical estimates of the macroscopic properties (mass, radius, and particle number) of gravitationally stable axion stars; a calculation of their decay lifetime through number-changing interactions; an analysis of the gravitational collapse process for very heavy states; and an investigation of the implications of axion stars as dark matter. The basic conclusions of our work are that weakly-bound axion stars are only stable up to some calculable maximum mass, whereas states with larger masses collapse to a small radius, but do not form black holes. During collapse, a rapidly increasing binding energy implies a fast rate of decay to relativistic particles, giving rise to a Bosenova. Axion stars that are otherwise stable could be caused to collapse either by accretion of free particles to masses above the maximum, or through astrophysical collisions; in the latter case, we estimate the rate of collisions and the parameter space relevant to induced collapse.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Two-way coupled Lagrangian particles in CTH

A basic two-way coupled discrete Lagrangian particle method has been implemented into CTH as a proof of concept. The approach has applications in modeling dilute multiphase phenomena, such as dust entrainment or explosive dispersion of debris. Only a basic Stokes drag law was implemented, but the framework allows for more advanced physics to be implemented in the future, such as particle-particle interactions or state of the art drag models. This memo outlines the modifications made to the code to implement the method, along with simple verification problems for it. The particle data structure used was designed to be as general as possible to facilitate future particle based methods being pursued in the future. For example the same data structure could be leveraged for Lagrangian notional particles used in Probability Density Function approaches, or the advection of a distribution of states such as a Weibull distribution for mechanics.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1987

Solitary waves in the resonant phenomenon between a surface gravity wave packet and an internal gravity wave

A two-layer inviscid incompressible fluid system of intermediate depth is considered. A multiple-scales perturbation technique is applied to the basic equations and boundary conditions for a two-layer fluid system to derive a system of weakly nonlinear partial integrodifferential equations governing the resonant interaction between a surface gravity wave packet and an internal gravity wave at an intermediate depth, providing a bridge between the existing shallow and deep fluid theories. The convolution integral term in these equations accounts for the dispersion in the lower-layer fluid. An iterative fast Fourier transform scheme is developed to find solitary wave solutions to this system of equations. The overtaking collision of two pairs of solitary waves, simulated using a spectral method, is found to be inelastic. It is found that the amplitude of the solitary waves changes slightly after the collision. The phase shifts these solitary waves undergo was calculated numerically.

Sepulveda, Nicasio↗
NASA NTRS1987

NASA's use of McIDAS technology - A data systems tool for meteorological research and applications

The Earth Science and Applications Division of the NASA Marshall Space Flight Center has been chartered to conduct research, and to develop and use space technology to gain a basic understanding of the earth processes with emphasis on atmospheric processes. An integral part of the research and development efforts has been the Man computer Interactive Data Access System (McIDAS). The McIDAS computer system has permitted integration of data from satellites, aircraft remote sensors, ground based meteorological data sources, and modeled atmospheric radiances. The result has been an increase in knowlege of mesoscale atmospheric processes and has enabled researchers to recommend improvements and suggestions for planned future remote sensing instruments.

Goodman, H. Michael↗
NASA NTRS2022

Mars 2020 Entry, Descent, and Landing System Software Implementation

On February 18th, 2021, the Mars 2020 project's Perseverance Rover successfully touched down on the Martian surface after nearly eight years of development. The Mars 2020 Entry, Descent, and Landing (EDL) System largely leveraged heritage from the Mars Science Laboratory (MSL) EDL System while employing targeted technological advancements. The landing process is autonomously directed by a software behavior implemented in the rover's primary flight computer called the EDL Timeline that assumes control of the vehicle six days before atmospheric entry. This paper first walks through the basics of the EDL Timeline mechanics and how the behavior is designed to account for internal system variations and environmental unknowns. It then summarizes the interactions between the EDL timeline and other high-level system behaviors like spacecraft mode transitions and system fault protection, focusing on the complications that arise when passing spacecraft control between executive functions. Although the MSL-inherited EDL System is reliable and capable, targeted updates and a thorough verification and validation program were required for Mars 2020. This paper discusses changes made to close vulnerabilities discovered during both MSL and Mars 2020 development cycles, landing system capability enhancements that were enabling for Mars 2020's mission, and how these updates were integrated with the heritage system. It then describes how both analysis and testing campaigns were utilized to verify and validate all aspects of EDL and system behaviors that run during the six days before landing, as well as the operational workarounds that were needed to address problems found during the development and commissioning process. Finally, this paper imparts lessons learned from Mars 2020 EDL development, implementation, and operations, emphasizing how systems designed to conduct time-critical mission events with low margin of error can be improved in the future.

Stehura, Aaron↗
DOE OSTI2020

Spirometric traits show quantile-dependent heritability, which may contribute to their gene-environment interactions with smoking and pollution

Background: “Quantile-dependent expressivity” refers to a genetic effect that is dependent upon whether the phenotype (e.g., spirometric data) is high or low relative to its population distribution. Forced vital capacity (FVC), forced expiratory volume in 1 second (FEV 1 ), and the FEV 1 /FVC ratio are moderately heritable spirometric traits. The aim of the analyses is to test whether their heritability (h 2 ) is constant over all quantiles of their distribution. Methods: Quantile regression was applied to the mean age, sex, height and smoking-adjusted spirometric data over multiple visits in 9,993 offspring-parent pairs and 1,930 sibships from the Framingham Heart Study to obtain robust estimates of offspring-parent (β OP ), offspring-midparent (β OM ), and full-sib regression slopes (β FS ). Nonparametric significance levels were obtained from 1,000 bootstrap samples. β OP s were used as simple indicators of quantile-specific heritability (i.e.,h 2 = 2β OP /(1+r spouse ), where r spouse was the correlation between spouses). Results: β OP ± standard error (SE) decreased by 0.0009 ± 0.0003 (P = 0.003) with every one-percent increment in the population distribution of FEV 1 /FVC, i.e., β OP ± SE were: 0.182 ± 0.031, 0.152 ± 0.015; 0.136 ± 0.011; 0.121 ± 0.013; and 0.099 ± 0.013 at the 10th, 25th, 50th, 75th, and 90th percentiles of the FEV 1 /FVC distribution, respectively. These correspond to h 2 ± SEs of 0.350 ± 0.060 at the 10th, 0.292 ± 0.029 at the 25th, 0.262 ± 0.020 at the 50th, 0.234 ± 0.025 at the 75th, and 0.191 ± 0.025 at the 90th percentiles of the FEV 1 /FVC ratio. Maximum mid-expiratory flow (MMEF) h 2 ± SEs increased 0.0025 ± 0.0007 (P = 0.0004) with every one-percent increment in its distribution, i.e.: 0.467 ± 0.046, 0.467 ± 0.033, 0.554 ± 0.038, 0.615 ± 0.042, and 0.675 ± 0.060 at the 10th, 25th, 50th, 75th, and 90th percentiles of its distribution. This was due to forced expiratory flow at 75% of FVC (FEF75%), whose quantile-specific h 2 increased an average of 0.0042 ± 0.0008 for every one-percent increment in its distribution. It is speculated that previously reported gene-environment interactions may be partially attributable to quantile-specific h 2 , i.e., greater heritability in individuals with lower FEV 1 /FVC due to smoking or airborne particles exposure vs. nonsmoking, unexposed individuals. Conclusion: Heritabilities of FEV 1 /FVC, MMEF, and FEF75% from quantile-regression of offspring-parent and sibling spirometric data suggest their quantile-dependent expressivity.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Stimulation of Insect Herbivory by Elevated Temperature Outweighs Protection by the Jasmonate Pathway

Rising global temperatures are associated with increases in the geographic range, population size, and feeding voracity of insect herbivores. Although it is well established that the plant hormone jasmonate (JA) promotes durable resistance to many ectothermic herbivores, little is known about how JA-mediated defense is influenced by rising temperatures. Here, we used the Arabidopsis-Trichoplusia ni (cabbage looper) interaction to investigate the relative contribution of JA and elevated temperature to host resistance. Video monitoring of T. ni larval behavior showed that elevated temperature greatly enhanced defoliation by increasing the bite rate and total time spent feeding, whereas loss of resistance in a JA-deficient mutant did not strongly affect these behaviors. The acceleration of insect feeding at elevated temperature was not attributed to decreases in wound-induced JA biosynthesis, expression of JA-responsive genes, or the accumulation of defensive glucosinolates prior to insect challenge. Quantitative proteomic analysis of insect frass, however, provided evidence for a temperature-dependent increase in the production of T. ni digestive enzymes. Our results demonstrate that temperature-driven stimulation of T. ni feeding outweighs the protective effects of JA-mediated resistance in Arabidopsis, thus highlighting a potential threat to plant resilience in a warming world.

59 BASIC BIOLOGICAL SCIENCES↗