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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Modulating solvation interactions of deep eutectic solvents formed by ammonium salts and carboxylic acids through varying the molar ratio of hydrogen bond donor and acceptor

Deep eutectic solvents (DESs) have gained increasing popularity in separation science due to the fact that their physico-chemical properties can be easily fine-tuned by varying the type or ratio of hydrogen bond acceptor (HBA) and hydrogen bond donor (HBD). While it is well-known that the molar ratio of HBA/HBD affects the melting point of a eutectic mixture, much less is understood regarding its effect on the magnitude of individual solvation interactions. This is largely due to the fact that established solvatochromic dye methods lack sensitivity when the HBA/HBD ratio is varied slightly in a eutectic mixture. Herein, this study is the first to measure the variation of DES solvation interactions with small changes in the molar ratio of HBA/HBD using inverse gas chromatography (IGC). Solute-solvent interactions of three different DES systems comprised of ammonium salts and organic acids were examined. The probe molecules were studied for 18 eutectic mixtures of varied HBA and HBD composition. We report DES hydrogen bond basicity, hydrogen bond acidity, and dispersive-type interactions exhibited the greatest change when the molar ratio of HBA/HBD was varied in the eutectic mixture. Results from this study demonstrate that the HBA/HBD ratio can be used to modulate the solvation characteristics for this class of DESs in separations and that the stoichiometric ratio of the HBA/HBD is important in ensuring their reproducible preparation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRSDate not supplied

Foundational Human-Autonomy Teaming Research and Development in Scalable Remotely Operated Advanced Air Mobility Operations: Research Model and Initial Work

To achieve the scalability envisioned for many Advanced Air Mobility (AAM) applications, uncrewed aerial system (UAS) concepts are being pursued with the goal of enabling fewer human operators to manage more increasingly autonomous vehicles. NASA’s Transformational Tools and Technologies – Revolutionary Aviation Mobility (T3-RAM) subproject has identified human-autonomy teaming (HAT) as a critical area of research required to support these operations. Under T3-RAM, the HAT Foundational Research Activity has been tasked with providing basic research to identify HAT and human-automation interaction (HAI) principles that can be used to achieve scalable multi-vehicle UAS operations. This paper first outlines a research model to produce ecologically relevant basic research, then contextualizes completed and planned research and development activities within this model. Proposed research threads are presented, along with their practical and theoretical implications.

Human-Autonomy Teaming↗
NASA NTRS1982

Visible signatures of the multi-step transition to a beam-plasma-dicharge

Observations are presented of the beam-plasma-discharge (BPD) at pressures below 4 x 10 to the -6th Torr, which show that there are three abrupt transitions in the beam-plasma interactions. The low-current A1 state (the basic beam with its noded configuration), is dominated by direct collisional ionization of the background gas. In the A2 state (the noded beam surounded by a weak halo), the ionization is supplemented by another mechanism which perhaps involves cyclotron interactions. The B and C states are distinctly separate forms of the BPD which involve a convective redistribution of beam energy as indicated by the changes in the beam nodes. The B and C states are also found to involve enhancements of between 20-100 in the power dissipation by ionization. Thus, in a 20 m pathlength, it is found that approximately 1-4 percent of the beam power is dissipated by the ionization associated with the BPD.

Hallinan, T. J.↗
DOE OSTI2024

African Swine Fever Virus Protein–Protein Interaction Prediction

The African swine fever virus (ASFV) is an often deadly disease in swine and poses a threat to swine livestock and swine producers. With its complex genome containing more than 150 coding regions, developing effective vaccines for this virus remains a challenge due to a lack of basic knowledge about viral protein function and protein–protein interactions between viral proteins and between viral and host proteins. In this work, we identified ASFV-ASFV protein–protein interactions (PPIs) using artificial intelligence-powered protein structure prediction tools. We benchmarked our PPI identification workflow on the Vaccinia virus, a widely studied nucleocytoplasmic large DNA virus, and found that it could identify gold-standard PPIs that have been validated in vitro in a genome-wide computational screening. We applied this workflow to more than 18,000 pairwise combinations of ASFV proteins and were able to identify seventeen novel PPIs, many of which have corroborating experimental or bioinformatic evidence for their protein–protein interactions, further validating their relevance. Two protein–protein interactions, I267L and I8L, I267L__I8L, and B175L and DP79L, B175L__DP79L, are novel PPIs involving viral proteins known to modulate host immune response.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1987

A magnetohydrodynamic model of the interaction of the solar wind with the Jovian magnetosphere and a magnetohydrodynamic simulation of the interaction of the solar wind with the out flowing plasma from a comet

A three-dimensional code for a rapidly rotating magnetosphere in which the MHD equations and the Maxwell equations were solved by using the two step Lax Endroff scheme, was developed. Preliminary results were presented at the Fall AGU meeting in San Francisco. The basic simulation model to study the solar wind interactions was adapted to other bodies in addition to Jupiter. Because of the recent comet flybys, a comet was chosen as the first model. The aim was to model the formation of the contact surface and the plasma tail. Later, work was begun on a three-dimensional model which would include the effects of mass loading. This model was designed to study the weak cometary bow shocks observed by the probes to comets Halley and Giacobini-Zinner. The model was successful in reproducing the position and shape of the bow shock which was determined by using observations from the Suisei spacecraft.

Walker, R. J.↗
NASA NTRS2006

Microfluidic Devices for Studying Biomolecular Interactions

Microfluidic devices for monitoring biomolecular interactions have been invented. These devices are basically highly miniaturized liquid-chromatography columns. They are intended to be prototypes of miniature analytical devices of the laboratory on a chip type that could be fabricated rapidly and inexpensively and that, because of their small sizes, would yield analytical results from very small amounts of expensive analytes (typically, proteins). Other advantages to be gained by this scaling down of liquid-chromatography columns may include increases in resolution and speed, decreases in the consumption of reagents, and the possibility of performing multiple simultaneous and highly integrated analyses by use of multiple devices of this type, each possibly containing multiple parallel analytical microchannels. The principle of operation is the same as that of a macroscopic liquid-chromatography column: The column is a channel packed with particles, upon which are immobilized molecules of the protein of interest (or one of the proteins of interest if there are more than one). Starting at a known time, a solution or suspension containing molecules of the protein or other substance of interest is pumped into the channel at its inlet. The liquid emerging from the outlet of the channel is monitored to detect the molecules of the dissolved or suspended substance(s). The time that it takes these molecules to flow from the inlet to the outlet is a measure of the degree of interaction between the immobilized and the dissolved or suspended molecules. Depending on the precise natures of the molecules, this measure can be used for diverse purposes: examples include screening for solution conditions that favor crystallization of proteins, screening for interactions between drugs and proteins, and determining the functions of biomolecules.

Wilson, Wilbur W.↗
NASA NTRS1997

Colloidal Disorder-Order Transition Experiment Probes Particle Interactions in Microgravity

Everything in the universe is made up of the same basic building blocks - atoms. All physical properties of matter such as weight, hardness, and color are determined by the kind of atoms present and the way they interact with each other. The Colloidal Disorder-Order Transition (CDOT) shuttle flight experiment tested fundamental theories that model atomic interactions. The experiment was part of the Second United States Microgravity Laboratory (USML-2) aboard the Space Shuttle Columbia, which flew from October 20 to November 5, 1995.

Source record↗
NASA NTRS1999

A Model for Generation of Martian Surface Dust, Soil and Rock Coatings: Physical vs. Chemical Interactions, and Palagonitic Plus Hydrothermal Alteration

This model is one of many possible scenarios to explain the generation of the current surface material on Mars using chemical, magnetic and spectroscopic data from Mars and geologic analogs from terrestrial sites. One basic premise is that there are physical and chemical interactions of the atmospheric dust particles and that these two processes create distinctly different results. Physical processes distribute dust particles on rocks, forming physical rock coatings, and on the surface between rocks forming soil units; these are reversible processes. Chemical reactions of the dust/soil particles create alteration rinds on rock surfaces or duricrust surface units, both of which are relatively permanent materials. According to this model the mineral components of the dust/soil particles are derived from a combination of "typical" palagonitic weathering of volcanic ash and hydrothermally altered components, primarily from steam vents or fumeroles. Both of these altered materials are composed of tiny particles, about 1 micron or smaller, that are aggregates of silicates and iron oxide/oxyhydroxide/sulfate phases. Additional information is contained in the original extended abstract.

Bishop, J. L.↗
DOE OSTI2024

Nonstereotypical Distribution and Effect of Ergosterol in Lipid Membranes

Ergosterol, found in fungi and some protist membranes, is understudied compared with cholesterol from animal membranes. Generally, ergosterol is assumed to modulate membranes in the same manner as cholesterol, based on their similar chemical structures. Here we reveal some fundamental structural and dynamical differences between them. Neutron diffraction shows that ergosterol is embedded in the lipid bilayer much shallower than cholesterol. Further, ergosterol does not change the membrane thickness as much as cholesterol does, indicating little condensation effect. Neutron spin echo shows that ergosterol can rigidify and soften membranes at different concentrations. The lateral lipid diffusion measured by quasielastic neutron scattering indicates that ergosterol promotes a jump diffusion of the lipid, whereas cholesterol keeps the same continuous lateral diffusion as the pure lipid membrane. Our results point to quite distinct interactions of ergosterol with membranes compared with cholesterol. These insights provide a basic understanding of membranes containing ergosterol with implications for phenomena such as lipid rafts and drug interactions.

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

Competing Intermolecular and Molecule–Surface Interactions: Dipole–Dipole-Driven Patterns in Mixed Carborane Self-Assembled Monolayers

Carboranedithiol isomers adsorbing with opposite orientations of their dipoles on surfaces are self-assembled together to form mixed monolayers where both lateral dipole–dipole and lateral thiol–thiolate (S–H···S) interactions provide enhanced stability over single-component monolayers. Here, we demonstrate the first instance of the ability to map individual isomers in a mixed monolayer using the model system carboranedithiols on Au{111}. The addition of methyl groups to one isomer provides both an enhanced dipole moment and extra apparent height for differentiation via scanning tunneling microscopy (STM). Associated computational investigations rationalize favorable interactions of mixed pairs and the associated stability changes that arise from these interactions. Both STM images and Monte Carlo simulations yield similarly structured mixed monolayers, where approximately 10% of the molecules have reversed dipole moment orientations but no direct chemical attachment to the surface, leading to homogeneous monolayers with no apparent phase separation. Deprotonating the thiols by depositing the molecules under basic conditions eliminates the lateral S–H···S interactions while accentuating the dipole–dipole forces. The molecular system investigated is composed of isomeric molecules with opposite orientations of dipoles and identical surface packing, which enables the mapping of individual molecules within the mixed monolayers and enables analyses of the contributions of the relatively weak lateral interactions to the overall stability of the assemblies.

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

Ecological interactions between hatchery summer steelhead and wild Oncorhynchus mykiss in the Willamette River basin, 2014

The purpose of this study was to determine the extent to which juvenile hatchery summer steelhead and wild winter steelhead overlap in space and time, to evaluate the extent of residualism among hatchery summer steelhead in the South Santiam River, and to evaluate the potential for negative ecological interactions among hatchery summer steelhead and wild winter steelhead. Because it is not possible to visually discern juvenile winter steelhead from resident rainbow trout, we treated all adipose-intact juvenile O. mykiss as one group that represented juvenile wild winter steelhead. The 2014 study objectives were to 1) estimate the proportion of hatchery summer steelhead that residualized in the South Santiam River in 2014, 2) determine the extent to which hatchery and naturally produced O. mykiss overlapped in space and time in the South Santiam River, and 3) characterize the behavioral interactions between hatchery-origin juvenile summer steelhead and naturally produced O. mykiss. We used a combination of radio telemetry and direct observations (i.e., snorkeling) to determine the potential for negative interactions between hatchery summer and wild winter steelhead juveniles in the South Santiam River. Data collected from these two independent methods indicated that a significant portion of the hatchery summer steelhead released as smolts did not rapidly emigrate from the South Santiam River in 2014. Of the 164 radio-tagged steelhead that volitionally left the hatchery, only 66 (40.2%) were detected outside of the South Santiam River. Forty-four (26.8% of 164) of the radio-tagged hatchery summer steelhead successfully emigrated to Willamette Falls. Thus, the last known location of the majority of the tagged fish (98 of 164 = 59.8%) was in the South Santiam River. Thirty-three of the tagged hatchery steelhead were detected in the South Santiam River during mobile-tracking surveys. Of those, 21 were found to be alive in the South Santiam River over three months after their release, representing a residualization rate of 12.8% (21 of 164). Snorkeling revealed considerable overlap of habitat use (in space and time) by residual hatchery steelhead and naturally produced O. mykiss in the South Santiam River. Results from our study (and others) also indicated that hatchery steelhead juveniles typically dominate interactions with naturally produced O. mykiss juveniles. The overlap in space and time, combined with the competitive advantage that residual hatchery steelhead appear to have over naturally produced O. mykiss, increases the potential for negative ecological interactions that could have population-level effects on the wild winter steelhead population of the South Santiam River.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Minimal two-body quantum absorption refrigerator

Here, we study the phenomenon of absorption refrigeration, where refrigeration is achieved by heating instead of work, in two different setups: a minimal set up based on coupled qubits and two nonlinearly coupled resonators. Considering ZZ interaction between the two qubits, we outline the basic ingredients required to achieve cooling. Using local as well as global master equations, we observe that inclusion of an XX type term in the qubit-qubit coupling is detrimental to cooling. We compare the cooling effect obtained in the qubit case with that of nonlinearly coupled resonators (multilevel system) where the ZZ interaction translates to a Kerr-type nonlinearity. For small to intermediate strengths of nonlinearity, we observe that multilevel quantum systems, for example qutrits, give better cooling effect compared to the qubits. Using Keldysh nonequilibrium Green's function formalism, we go beyond first order sequential tunneling processes and study the effect of higher order processes on refrigeration. We find a reduced cooling effect compared to the master equation calculations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1972

Cometary Explorer to Grigg-Skjellerup 1977

The mission analysis and technical summary of the spacecraft and its subsystems are presented for an Explorer flight to investigate the solar wind interaction with the Grigg-Skjellerup coma. The basic spacecraft system is the same as Explorer 43 and 47, and the mission characteristics which distinguish this mission from previous IMP missions are discussed. The physical and chemical characteristics of the comet's nucleus and coma are described, and the spacecraft trajectory and scientific payloads required to study the solar wind-cometary atmospheric interaction are considered.

Ness, N. F.↗
DOE OSTI2018

Microbial Interactions With Dissolved Organic Matter Drive Carbon Dynamics and Community Succession

Knowledge of dynamic interactions between natural organic matter (NOM) and microbial communities is critical not only to delineate the routes of NOM degradation/transformation and carbon (C) fluxes, but also to understand microbial community evolution and succession in ecosystems. Yet, these processes in subsurface environments are usually studied independently, and a comprehensive view has been elusive thus far. In this study, we fed sediment-derived dissolved organic matter (DOM) to groundwater microbes and continually analyzed microbial transformation of DOM over a 50-day incubation. To document fine-scale changes in DOM chemistry, we applied high-resolution Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) and soft X-ray absorption spectroscopy (sXAS). We also monitored the trajectory of microbial biomass, community structure and activity over this time period. Together, these analyses provided an unprecedented comprehensive view of interactions between sediment-derived DOM and indigenous subsurface groundwater microbes. Microbial decomposition of labile C in DOM was immediately evident from biomass increase and total organic carbon (TOC) decrease. The change of microbial composition was closely related to DOM turnover: microbial community in early stages of incubation was influenced by relatively labile tannin- and protein-like compounds; while in later stages the community composition evolved to be most correlated with less labile lipid- and lignin-like compounds. These changes in microbial community structure and function, coupled with the contribution of microbial products to DOM pool affected the further transformation of DOM, culminating in stark changes to DOM composition over time. Our study demonstrates a distinct response of microbial communities to biotransformation of DOM, which improves our understanding of coupled interactions between sediment-derived DOM, microbial processes, and community structure in subsurface groundwater.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2014

Plasmons in molecules: Microscopic characterization based on orbital transitions and momentum conservation

In solid state physics, electronic excitations are often classified as plasmons or single-particle excitations. The former class of states refers to collective oscillations of the electron density. The random-phase approximation allows for a quantum-theoretical treatment and a characterization on a microscopic level as a coherent superposition of a large number of particle-hole transitions with the same momentum transfer. However, small systems such as molecules or small nanoclusters lack the basic properties (momentum conservation and uniform exchange interaction) responsible for the formation of plasmons in the solid-state case. Despite an enhanced interest in plasmon-based technologies and an increasing number of studies regarding plasmons in molecules and small nanoclusters, their definition on a microscopic level of theory remains ambiguous. In this work, we analyze the microscopic properties of molecular plasmons in comparison with the homogeneous electron gas as a model system. Subsequently, the applicability of the derived characteristics is validated by analyzing the electronic excitation vectors with respect to orbital transitions for two linear polyenes within second order versions of the algebraic diagrammatic construction scheme for the polarization propagator.

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

Quantum transport in ferromagnetic graphene: Role of Berry curvature

The magnetic effects in ferromagnetic graphene basically depend on the principle of exchange interaction when ferromagntism is induced by depositing an insulator layer on graphene. Here we deal with the consequences of non-uniformity in the exchange coupling strength of the ferromagnetic graphene. We discuss how the in- homogeneity in the coordinate and momentum of the exchange vector field can provide interesting results in the conductivity analysis of the ferromagnetic graphene. Our analysis is based on the Kubo formalism of quantum transport.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Focus: Phase-resolved nonlinear terahertz spectroscopy—From charge dynamics in solids to molecular excitations in liquids

Intense terahertz (THz) electric field transients with amplitudes up to several megavolts/centimeter and novel multidimensional techniques are the key ingredients of nonlinear THz spectroscopy, a new area of basic research. Both nonlinear light-matter interactions including the non-perturbative regime and THz driven charge transport give new insight into the character and dynamics of low-energy excitations of condensed matter and into quantum kinetic phenomena. This article provides an overview of recent progress in this field, combining an account of technological developments with selected prototype results for liquids and solids. The potential of nonlinear THz methods for future studies of low-frequency excitations of condensed-phase molecular systems is discussed as well.

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

Verilator Testbench Environment (VTE) v0.1

VTE is a library that allows fast and simple generation of C++ testers for modules written in Chisel and build an efficient interface to existing C++ based simulators. It contains Scala-based interface and C++ testbench class. Scala interface interacts with Firtl Interpreter and generates a basic set of C++ testbench files. These files contain the list of the Device Under Test (DUT) input-output ports as well as their parameters. C++ testbench provides functionalities similar to the Chisel PeekPokeTester, such as poke, expect, step functions. As a backend it uses Verilator.

Fatollahi-Fard, Farzad↗