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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 1,459 records · Page 81
All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

Moon to Mars (M2M): Exploration Atmosphere

As humans leave the bounds of Earth to explore the lunar surface and beyond, crew will don extravehicular activity (EVA) suits to learn more about these extraterrestrial environments, establish sustained presence, and perform needed upgrades and maintenance to their space vehicle and habitation systems. Spacefaring vehicle and habitation design will need to support these EVA excursions while ensuring crew health and safety. A crucial technological design advancement towards this goal is the use of a lower pressure exploration atmosphere (EA) that enables high efficiency EVA, rather than the sea level atmosphere of 14.7 psia, 21% oxygen (O 2 ) found on the International Space Station, Shuttle, and most other Russian and Chinese space vehicles and stations. Early space vehicles (Mercury through Apollo Programs) used a 5 psia, 100% O 2 environment, which eliminated the need for pre-EVA denitrogenation protocols, simplified the life support system to a single gas, and saved structural mass. For longer duration missions (Skylab), a diluent gas was added, changing the atmosphere to 5 psia, 70-74% O 2 to prevent atelectasis while remaining normoxic. As in-flight science became a top priority, Shuttle and ISS atmospheres were chosen to operate at sea level allowing for simpler ground-based study control conditions. Consequently this led to long pre-EVA denitrogenation protocols involving up to 4 hours of O 2 prebreathe because the EVA suit still operated at a low pressure of 4.3 psid. To increase operational efficiency, the Shuttle was retroactively certified to operate using 10.2 psia, 26.5% O 2 , reducing O 2 prebreathe time to 40-75 min. Current plans for M2M habitats on the Lunar surface require EVA, thus EA recommendation became 8 psia and 32% O 2 but was revised to 8.2 psia and 34% O 2 to decrease hypoxia exposure. Unfortunately, the benefits of EA in support of safe and efficient EVAs comes with the challenge of fire management in a higher-than-normal O 2 % environment. Although known for decades, the recommended forward work to address fire management has only recently begun. Current flammability tests include examining material propagation and ignition sources as well as fire mitigation processes to better understand these properties for proposed new EA environments. Fire safety, DCS risk, and mission design all contribute to the multifaceted parameters of EA. Thus while it is clear that EA is required to achieve the goals of future exploratory space missions, final specifications are still being evaluated for optimizing crew health and safety.

space atmosphere↗
NASA NTRS2024

Exploration Extravehicular Mobility Unit (xEMU) Helmet and Extravehicular Visor Assembly (EVVA) Chamber B Thermal Vacuum Testing Results

NASA’s Exploration Extravehicular Mobility Unit (xEMU) is the government reference next-generation spacesuit design and is engineered to protect astronauts from extreme lunar environmental temperatures. To evaluate the xEMU hardware thermal requirements, the xEMU Testing Team invented, designed, and executed a dual-suit, uncrewed thermal vacuum (TVAC) test at Johnson Space Center’s (JSC) Chamber B. This paper details the test methodology, hardware setup, and results from the xEMU helmet and extravehicular visor assembly (EVVA). Two helmets/EVVAs were tested simultaneously in Chamber B, with different thermal environments and EVVA configurations. For the helmet/EVVA on the Short xEMU (SxEMU) test article, five thermal profiles were tested during five simulated EVAs, with four different visor and shade configurations. For the helmet/EVVA on the second xEMU, eleven unique thermal profiles were tested including both cold and hot environmental cases over the course of five continuous days of testing, with a single visor and shade configuration. The radiative thermal environment was controlled through exposure to liquid-nitrogen shrouds on the chamber walls and through two separate heater cages surrounding each respective test article. The thermal effects of the Exploration Informatics (xINFO) lights and camera on the helmet/EVVA was also tested. Twenty-two temperature sensors were used to collect data in critical locations in the xEMU helmet/EVVA assembly. This paper will document the testing results and compare the test data against the xEMU helmet/EVVA and system-level thermal models for model validation.

xEMU↗
NASA NTRS2024

Extravehicular Activity and Human Surface Mobility Program (EHP) Exploration EVA (xEVA) System Compatibility Standards

Extravehicular Activity (EVA) is a significant capability for Artemis Systems which includes Gateway Program (modules), Human Landing System (HLS) Program (Integrated Lander and Human Class Delivery Lander), Lunar Terrain Vehicle (LTV), Pressurized Rover (PR), Payloads, and any other future lunar surface assets that will be utilized for exploration or science. The EVA and Human Surface Mobility Program (EHP) will provide the following: Exploration EVA (xEVA) suits, xEVA tools and crew aids along with vehicle integration/support hardware, LTV, and PR. Being a distributed and dynamic capability (moving components), xEVA System hardware will interface with almost all elements of the Artemis architecture. As such, it is important to document a singular set of EVA compatibility standards at the programmatic level to articulate “how to interface with xEVA suit hardware” and “how to design hardware that EVA crewmembers will access and manipulate.”

Exploration↗
DOE OSTI2011

Experimental Plans to Explore Dielectric Wakefield Acceleration in the THZ Regime

Dielectric wakefield accelerators have shown great promise toward high-gradient acceleration. We investigate the performances of a possible experiment under consideration at the FLASH facility in DESY to explore wakefield acceleration with an enhanced transformer ratio. The experiment capitalizes on a unique pulse shaping capability recently demonstrated at this facility. In addition, the facility incorporates a superconducting linear accelerator that could generate bunch trains with closely spaced bunches thereby opening the exploration of potential dynamical effects in dielectric wakefield accelerators.

36 MATERIALS SCIENCE↗
DOE OSTI2016

RE Data Explorer: Supporting Renewable Energy Zones to Enable Low Emission Development

This fact sheet overviews the benefits of using the RE Data Explorer tool to analyze and develop renewable energy zones. Renewable energy zones are developed through a transmission planning and approval process customized for renewable energy. RE Data Explorer analysis can feed into broader stakeholder discussions and allow stakeholders to easily visualize potential zones. Stakeholders can access pertinent data to inform transmission planning and enable investment.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Analysis of Selected Publicly Available Geothermal Exploration Data Gaps

As part of a United States Department of Energy (DOE) supported retrospective analysis of DOE's Play Fairway Analysis (PFA) projects, the National Renewable Energy Laboratory (NREL) compiled and analyzed publicly available geothermal exploration datasets to identify and highlight data gaps in areas prospective for hosting geothermal resources. The analysis was intended to understand the existing geographic coverage of selected datasets commonly utilized both by the PFA projects and geothermal developers during resource assessments including geologic mapping, temperature gradient drilling, and aeromagnetic, gravimetric, and lidar surveys. Results indicate that broad areas of the western United States estimated to have geothermal potential lack sufficient geologic and geophysical coverage necessary for even regional resource exploration. The study directly informed the recent Geoscience Data Acquisition for Western Nevada, or GeoDAWN - which united DOE's Geothermal Technologies Office (GTO) with the U.S. Geological Survey (USGS) of the U.S. Department of the Interior to assist U.S. needs for energy and critical minerals. The study also has the potential to inform public investment in further data acquisition for characterization of the Earth both for geothermal and other natural resource assessments.

data↗
DOE OSTI2021

Exploring Transport Behavior in Hybrid Perovskites Solar Cells via Machine Learning Analysis of Environmental-Dependent Impedance Spectroscopy

Hybrid organic–inorganic perovskites are one of the promising candidates for the next-generation semiconductors due to their superlative optoelectronic properties. However, one of the limiting factors for potential applications is their chemical and structural instability in different environments. Herein, the stability of (FAPbI3)0.85(MAPbBr3)0.15 perovskite solar cell is explored in different atmospheres using impedance spectroscopy. An equivalent circuit model and distribution of relaxation times (DRTs) are used to effectively analyze impedance spectra. DRT is further analyzed via machine learning workflow based on the non-negative matrix factorization of reconstructed relaxation time spectra. This exploration provides the interplay of charge transport dynamics and recombination processes under environment stimuli and illumination. The results reveal that in the dark, oxygen atmosphere induces an increased hole concentration with less ionic character while ionic motion is dominant under ambient air. Under 1 Sun illumination, the environment-dependent impedance responses show a more striking effect compared with dark conditions. In this case, the increased transport resistance observed under oxygen atmosphere in equivalent circuit analysis arises due to interruption of photogenerated hole carriers. The results not only shed light on elucidating transport mechanisms of perovskite solar cells in different environments but also offer an effective interpretation of impedance responses.

36 MATERIALS SCIENCE↗
DOE OSTI2023

High-Throughput Automated Exploration of Phase Growth Behaviors in Quasi-2D Formamidinium Metal Halide Perovskites

Quasi-2D metal halide perovskites (MHPs) are an emerging material platform for sustainable functional optoelectronics, but the uncontrollable, broad phase distribution remains a critical challenge for applications. Nevertheless, the basic principles for controlling phases in quasi-2D MHPs remain poorly understood, due to the rapid crystallization kinetics during the conventional thin-film fabrication process. In this work, a high-throughput automated synthesis-characterization-analysis workflow is implemented to accelerate material exploration in formamidinium (FA)-based quasi-2D MHP compositional space, revealing the early-stage phase growth behaviors fundamentally determining the phase distributions. Upon comprehensive exploration with varying synthesis conditions including 2D:3D composition ratios, antisolvent injection rates, and temperatures in an automated synthesis-characterization platform, it is observed that the prominent n = 2 2D phase restricts the growth kinetics of 3D-like phases—α-FAPbI 3 MHPs with spacer-coordinated surface—across the MHP compositions. Thermal annealing is a critical step for proper phase growth, although it can lead to the emergence of unwanted local PbI 2 crystallites. Additionally, fundamental insights into the precursor chemistry associated with spacer-solvent interaction determining the quasi-2D MHP morphologies and microstructures are demonstrated. The high-throughput study provides comprehensive insights into the fundamental principles in quasi-2D MHP phase control, enabling new control of the functionalities in complex materials systems for sustainable device applications.

2D perovskites↗
DOE OSTI2026

Exploration of Nirmatrelvir Derivatives as Optimized SARS‐CoV‐2 Antivirals

Nirmatrelvir (NMV) is a SARS‐CoV‐2 antiviral component of the approved COVID‐19 therapeutic Paxlovid. It is a reversible covalent inhibitor of SARS‐CoV‐2 main protease (M Pro ) that is effluxed from human cells by P‐glycoprotein (P‐gp). To identify NMV analogs with improved potency and reduced P‐gp efflux, a structure–activity relationship campaign was conducted. Warheads alternative to nitrile for engaging the active site cysteine were tested showing aldehyde and dichloroacetamide with better enzyme inhibition potency. Crystal structure of MPI‐136−M Pro shows its aldehyde warhead forming a thiohemiacetal with active Cys145 of M Pro . Several S4 binders were explored revealing that an O‐to‐S shift at the N ‐terminal amide leads to better enzyme inhibition. By exploring different combinations of S2, S3, and S4 binders, two inhibitors with better enzyme inhibition potency than NMV were found. Crystal structure of MPI‐148, with ( S )‐2‐azaspiro[4,5]decane‐3‐carboxylate as an alternative S2 binder, shows extensive hydrogen‐bond networks for locking the inhibitor in active site, explaining high affinity of NMV analogs. Further characterization of cellular M Pro engagement and antiviral potency against SARS‐CoV‐2 revealed four inhibitors with greater potency than NMV in P‐gp‐expressing cells. Studies with the P‐gp inhibitor CP‐100356 showed that these compounds were less sensitive to P‐gp inhibition than NMV, consistent with reduced P‐gp‐mediated efflux.

Alugubelli, Yugendar R. [Texas A&M Drug Discovery ↗
DOE OSTI2013

Investigating the experiences of New Zealand MRI technologists: Exploring intra-orbital metallic foreign body safety practices

Qualitative research is lacking regarding the experiences of magnetic resonance imaging (MRI) technologists and their involvement in workplace safety practices. This article provides a gateway to explore, describe and document experiences of MRI technologists in New Zealand (NZ) pertaining to intra-orbital metallic foreign body (IMFB) safety practices. This phenomenological study describes the experiences of seven MRI technologists all with a minimum of 5 years' NZ work experience in MRI. The MRI technologists were interviewed face-to-face regarding their professional IMFB workplace experiences in order to explore historical, current and potential issues. Findings demonstrated that aspects of organization and administration are fundamentally important to MRI technologists. Varying levels of education and knowledge, as well as experience and skills gained, have significantly impacted on MRI technologists’ level of confidence and control in IMFB practices. Participants’ descriptions of their experiences in practice regarding decision-making capabilities further highlight the complexity of these themes. A model was developed to demonstrate the interrelated nature of the themes and the complexity of the situation in totality. Findings of this study have provided insight into the experiences of MRI technologists pertaining to IMFB safety practices and highlighted inconsistencies. It is hoped that these findings will contribute to and improve the level of understanding of MRI technologists and the practices and protocols involved in IMFB safety screening. The scarcity of available literature regarding IMFB safety practices highlights that more research is required to investigate additional aspects that could improve MRI technologists’ experiences.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Automated reaction kinetics and network exploration (Arkane): A statistical mechanics, thermodynamics, transition state theory, and master equation software

The open-source statistical mechanics software described here, Arkane–Automated Reaction Kinetics and Network Exploration–facilitates computations of thermodynamic properties of chemical species, high-pressure limit reaction rate coefficients, and pressure-dependent rate coefficient over multi-well molecular potential energy surfaces (PES) including the effects of collisional energy transfer on phenomenological kinetics. Arkane can use estimates to fill in information for molecules or reactions where quantum chemistry information is missing. The software solves the internal energy master equation for complex unimolecular reaction systems. Inputs to the software include converged electronic structure computations performed by the user using a variety of supported software packages (Gaussian, Molpro, Orca, TeraChem, Q-Chem, Psi4). The software outputs high-pressure limit rate coefficients and pressure-dependent phenomenological rate coefficients, as well as computed thermodynamic properties (enthalpy, entropy, and constant pressure heat capacity) with added energy corrections. Some of the key features of Arkane include treatment of 1D, 2D or ND hindered internal rotation modes, treatment of free internal rotation modes, quantum tunneling effect consideration, transition state theory (TST) and Rice-Ramsperger-Kassel-Marcus (RRKM) rate coefficient computations, master equation solution with four implemented methods, inverse-Laplace transform of high-pressure limit rate coefficients into the energy domain, energy corrections based on bond-additivity or isodesmic reactions, automated and efficient PES exploration, and PES sensitivity analysis. The present work describes the design of Arkane, how it should be used, and refers to the theory that it employs. Arkane is distributed via the RMG-Py software suite (https://github.com/ReactionMechanismGenerator/RMG-Py).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

An initial exploration of Bayesian model calibration for estimating the composition of rocks and soils on Mars

The Mars Curiosity rover carries an instrument, ChemCam, designed to measure the composition of surface rocks and soil using laser-induced breakdown spectroscopy (LIBS). The measured spectra from this instrument must be analyzed to identify the component elements in the target sample, as well as their relative proportions. This process, which we call disaggregation, is complicated by so-called matrix effects, which describe nonlinear changes in the relative heights of emission lines as an unknown function of composition due to atomic interactions within the LIBS plasma. In this work, we explore the use of the plasma physics code ATOMIC, developed at Los Alamos National Laboratory, for the disaggregation task. ATOMIC has recently been used to model LIBS spectra and can robustly reproduce matrix effects from first principles. The ability of ATOMIC to predict LIBS spectra presents an exciting opportunity to perform disaggregation in a manner not yet tried in the LIBS community, namely via Bayesian model calibration. However, using it directly to solve our inverse problem is computationally intractable due to the large parameter space and the computation time required to produce a single output. Therefore, we also explore the use of emulators as a fast solution for this analysis. We discuss a proof of concept Gaussian process emulator for disaggregating two-element compounds of sodium and copper. The training and test datasets were simulated with ATOMIC using a Latin hypercube design. After testing the performance of the emulator, we successfully recover the composition of 25 test spectra with Bayesian model calibration.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Combinatorial Growth of Vertically Aligned Nanocomposite Thin Films for Accelerated Exploration in Composition Variation

Combinatorial growth is capable of creating a compositional gradient for thin film materials and thus has been adopted to explore composition variation mostly for metallic alloy thin films and some dopant concentrations for ceramic thin films. This study uses a combinatorial pulsed laser deposition method to successfully fabricate two‐phase oxide–oxide vertically aligned nanocomposite (VAN) thin films of La 0.7 Sr 0.3 MnO 3 (LSMO)‐NiO with variable composition across the film area. The LSMO‐NiO compositional gradient across the film alters the two‐phase morphology of the VAN through varying nanopillar size and density. Additionally, the magnetic anisotropy and magnetoresistance properties of the nanocomposite thin films increase with increasing NiO composition. This demonstration of a combinatorial method for VAN growth can increase the efficiency of nanocomposite thin film research by allowing all possible compositions of thin film materials to be explored in a single deposition.

36 MATERIALS SCIENCE↗
DOE OSTI2012

A Service Oriented Architecture for Exploring High Performance Distributed Power Models

Power grids are increasingly incorporating high quality, high throughput sensor devices inside power distribution networks. These devices are driving an unprecedented increase in the volume and rate of available information. The real-time requirements for handling this data are beyond the capacity of conventional power models running in central utilities. Hence, we are exploring distributed power models deployed at the regional scale. The connection of these models for a larger geographic region is supported by a distributed system architecture. This architecture is built in a service oriented style, whereby distributed power models running on high performance clusters are exposed as services. Each service is semantically annotated and therefore can be discovered through a service catalog and composed into workflows. The overall architecture has been implemented as an integrated workflow environment useful for power researchers to explore newly developed distributed power models.

Service oriented architecture, high performance co↗
DOE OSTI2018

Exploring extended scalar sectors with di-Higgs signals: A Higgs EFT perspective

We consider extended scalar sectors of the Standard Model as ultraviolet complete motivations for studying the effective Higgs self-interaction operators of the Standard Model effective field theory. We investigate all motivated heavy scalar models which generate the dimension-six effective operator, |H| 6 , at tree level and proceed to identify the full set of tree-level dimension-six operators by integrating out the heavy scalars. Of seven models which generate |H| 6 at tree level only two, quadruplets of hypercharge Y = 3 Y H and Y = Y H , generate only this operator. Next we perform global fits to constrain relevant Wilson coefficients from the LHC single Higgs measurements as well as the electroweak oblique parameters S and T. We find that the T parameter puts very strong constraints on the Wilson coefficient of the |H| 6 operator in the triplet and quadruplet models, while the singlet and doublet models could still have Higgs self-couplings which deviate significantly from the standard model prediction. To determine the extent to which the |H| 6 operator could be constrained, we study the di-Higgs signatures at the future 100 TeV collider and explore future sensitivity of this operator. As a result, projected onto the Higgs potential parameters of the extended scalar sectors, with 30 ab -1 luminosity data we will be able to explore the Higgs potential parameters in all seven models.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Numerical exploration of three relativistic particles in a finite volume including two-particle resonances and bound states

In this work, we use an extension of the quantization condition, given in ref. [1], to numerically explore the finite-volume spectrum of three relativistic particles, in the case that two-particle subsets are either resonant or bound. The original form of the relativistic three-particle quantization condition was derived under a technical assumption on the two- particle K matrix that required the absence of two-particle bound states or narrow two- particle resonances. Here we describe how this restriction can be lifted in a simple way using the freedom in the definition of the K-matrix-like quantity that enters the quantization condition. With this in hand, we extend previous numerical studies of the quantization condition to explore the finite-volume signature for a variety of two- and three-particle interactions. We determine the spectrum for parameters such that the system contains both dimers (two-particle bound states) and one or more trimers (in which all three particles are bound), and also for cases where the two-particle subchannel is resonant. We also show how the quantization condition provides a tool for determining infinite-volume dimer- particle scattering amplitudes for energies below the dimer breakup. We illustrate this for a series of examples, including one that parallels physical deuteron-nucleon scattering. All calculations presented here are restricted to the case of three identical scalar particles.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Exploring the strong-coupling region of SU( N ) Seiberg-Witten theory

We consider the Seiberg-Witten solution of pure N = 2 gauge theory in four dimensions, with gauge group SU(N). A simple exact series expansion for the dependence of the 2(N – 1) Seiberg-Witten periods a I (u), a DI (u) on the N – 1 Coulomb-branch moduli un is obtained around the Z 2N -symmetric point of the Coulomb branch, where all u n vanish. This generalizes earlier results for N = 2 in terms of hypergeometric functions, and for N = 3 in terms of Appell functions. Using these and other analytical results, combined with numerical computations, we explore the global structure of the Kähler potential K = 1/2Σ I Im(a¯ I a DI ), which is single valued on the Coulomb branch. Evidence is presented that K is a convex function, with a unique minimum at the Z 2N -symmetric point. Finally, we explore candidate walls of marginal stability in the vicinity of this point, and their relation to the surface of vanishing Kähler potential.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Interactive Exploration of High-Dimensional Phase Diagrams

High-dimensional thermodynamic phase stability databases are becoming increasingly common due to the convergence of three recent trends: (i) the widespread interest in so-called “high-entropy” alloys, (ii) the availability of high-throughput computational assessments of phase stability in broad composition spaces and (iii) the ongoing development of ever-increasingly broad, multicomponent, multiphase CALPHAD databases. Although automated computational tools can readily process such high-dimensional data, scientists are often unable to visualize the relevant phase relations, an ability that is crucial to gaining an intuitive understanding of the stability constraints governing materials design. The present work addresses this need by providing algorithms that enable the interactive exploration of phase equilibria in high-dimensional spaces. These algorithms concentrate the complex nonlinear nonsmooth optimization needed into a preprocessing step that generates a large number of high-dimensional yet elementary graphical primitives. Furthermore, these primitives can then be cross-sectioned to yield 3-dimensional views in a computationally efficient manner that enables an interactive exploration of high-dimensional spaces. All of these operations are highly parallelizable, thus facilitating scaling of this method to large data sets.

36 MATERIALS SCIENCE↗