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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS2007

Human Factors in the Design of the Crew Exploration Vehicle (CEV)

NASA s Space Exploration vision for humans to venture to the moon and beyond provides interesting human factors opportunities and challenges. The Human Engineering group at NASA has been involved in the initial phases of development of the Crew Exploration Vehicle (CEV), Orion. Getting involved at the ground level, Human Factors engineers are beginning to influence design; this involvement is expected to continue throughout the development lifecycle. The information presented here describes what has been done to date, what is currently going on, and what is expected in the future. During Phase 1, prior to the contract award to Lockheed Martin, the Human Engineering group was involved in generating requirements, conducting preliminary task analyses based on interviews with subject matter experts in all vehicle systems areas, and developing preliminary concepts of operations based on the task analysis results. In addition, some early evaluations to look at CEV net habitable volume were also conducted. The program is currently in Phase 2, which is broken down into design cycles, including System Readiness Review, Preliminary Design Review, and Critical Design Review. Currently, there are ongoing Human Engineering Technical Interchange Meetings being held with both NASA and Lockheed Martin in order to establish processes, desired products, and schedules. Multiple design trades and quick-look evaluations (e.g. display device layout and external window size) are also in progress. Future Human Engineering activities include requirement verification assessments and crew/stakeholder evaluations of increasing fidelity. During actual flights of the CEV, the Human Engineering group is expected to be involved in in-situ testing and lessons learned reporting, in order to benefit human space flight beyond the initial CEV program.

Whitmore, Mihriban↗
NASA NTRS2020

Chemical and Thermodynamic Constraints on the Thermal Evolution of Eucrites

Vesta is the only differentiated asteroid with a nearly intact crust, making it the candidate for studying early planetary differentiation. It is commonly thought that the howardite, eucrite, and diogenite (HED) clan of meteorites derive from Vesta, and thus the study of HEDs is important for understanding the evolution of primitive bodies in the early solar system [1]. Of particular interest are the unusual trace element abundances in Stannern group eucrites, which have been interpreted as partial melting and melt contamination events that occurred on the parent body during thermal metamorphism[2]. However, some samples that contain evidence of high temperature metamorphism, such as Elephant Moraine (EET) 90020, have anomalous REE patterns that have been interpret-ed multiple ways. For example [3] concluded that the loss of small degrees of partial melt depleted the sample in LREEs while [4] concluded that subsolidus diffusion better explained why depletion of only some highly incompatible elements is observed. The heterogeneous nature of this sample makes reconstructing its petrologic history challenging. Here, we conduct further petrographic and chemical studies on polished thin sections of EET 90020 and compare results to previous studies [3-5]. Additionally, we combine chemical analyses with thermodynamic models in order to refine the constraints on the post-crystallization thermal history of EET 90020. We additionally include studies of Graves Nunataks (GRA) 98098, which also contains evidence of high temperature metamorphism and anomalous geochemical signatures, as well as evidence of solid state diffusion at lower temperatures [6].

Gorce, Jennifer S.↗
DOE OSTI2018

Growth Mechanisms of Anisotropic Layered Group IV Chalcogenides on van der Waals Substrates for Energy Conversion Applications

Two-dimensional group IV monochalcogenide semiconductors (SnX, GeX; X = S, Se) are of fundamental interest due to their anisotropic crystal structure and predicted unique characteristics such as very large exciton binding energies and multiferroic order possibly up to above room temperature. Whereas growth on reactive supports produces mostly standing flakes, deposition on van der Waals (vdW) substrates can yield basal-plane oriented layered crystals. But so far, this approach invariably resulted in flakes that are several atomic layers thick, and the synthesis of monolayers has remained elusive. Here, we use in situ microscopy during molecular beam epitaxy of SnS on graphite and graphene to establish the origin of this predominant multilayer growth. The enhanced reactivity of group IV chalcogenide layers causes adsorption of precursor molecules primarily on the initial SnS nuclei instead of the vdW support. On graphite, this unusual imbalance in the material supply is the primary cause for fast vertical growth. Experiments on graphene/Ru(0001) suggest increased adsorption on the vdW substrate, which enables enhanced lateral SnS growth. As a result, the fundamental insight obtained here provides a basis for identifying conditions for the scalable synthesis of single-layer group IV monochalcogenides and guides the growth of high-quality multilayer films of interest for applications in energy conversion, optoelectronics, and thermoelectrics.

2D crystal↗
DOE OSTI2014

sp3-hybridized framework structure of group-14 elements discovered by genetic algorithm

Group-14 elements, including C, Si, Ge, and Sn, can form various stable and metastable structures. Finding new metastable structures of group-14 elements with desirable physical properties for new technological applications has attracted a lot of interest. Using a genetic algorithm, we discovered a new low-energy metastable distorted sp3-hybridized framework structure of the group-14 elements. It has P42/mnm symmetry with 12 atoms per unit cell. The void volume of this structure is as large as 139.7Å3 for Si P42/mnm, and it can be used for gas or metal-atom encapsulation. Band-structure calculations show that P42/mnm structures of Si and Ge are semiconducting with energy band gaps close to the optimal values for optoelectronic or photovoltaic applications. With metal-atom encapsulation, the P42/mnm structure would also be a candidate for rattling-mediated superconducting or used as thermoelectric materials.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Dynamic analysis environment for nuclear forensic analyses

We report a Dynamic Analysis Environment (DAE) software package is introduced to facilitate group inclusion/exclusion method testing, evaluation and comparison for pre-detonation nuclear forensics applications. Employing DAE, the multivariate signatures of a questioned material can be compared to the signatures for different, known groups, enabling the linking of the questioned material to its potential process, location, or fabrication facility. Advantages of using DAE for group inclusion/exclusion include built-in query tools for retrieving data of interest from a database, the recording and documentation of all analysis steps, a clear visualization of the analysis steps intelligible to a non-expert, and the ability to integrate analysis tools developed in different programming languages. Two group inclusion/exclusion methods are implemented in DAE: principal component analysis, a parametric feature extraction method, and k nearest neighbors, a nonparametric pattern recognition method. Spent Fuel Isotopic Composition (SFCOMPO), an open source international database of isotopic compositions for spent nuclear fuels (SNF) from 14 reactors, is used to construct PCA and KNN models for known reactor groups, and 20 simulated SNF samples are utilized in evaluating the performance of these group inclusion/exclusion models. For all 20 simulated samples, PCA in conjunction with the Q statistic correctly excludes a large percentage of reactor groups and correctly includes the true reactor of origination. As a result, employing KNN, 14 of the 20 simulated samples are classified to their true reactor of origination.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2015

Automatic Event Detection in Search for Inter-Moss Loops in IRIS Si IV Slit-Jaw Images

The high-resolution capabilities of the Interface Region Imaging Spectrometer (IRIS) mission have allowed the exploration of the finer details of the solar magnetic structure from the chromosphere to the lower corona that have previously been unresolved. Of particular interest to us are the relatively short-lived, low-lying magnetic loops that have foot points in neighboring moss regions. These inter-moss loops have also appeared in several AIA pass bands, which are generally associated with temperatures that are at least an order of magnitude higher than that of the Si IV emission seen in the 1400 angstrom pass band of IRIS. While the emission lines seen in these pass bands can be associated with a range of temperatures, the simultaneous appearance of these loops in IRIS 1400 and AIA 171, 193, and 211 suggest that they are not in ionization equilibrium. To study these structures in detail, we have developed a series of algorithms to automatically detect signal brightening or events on a pixel-by-pixel basis and group them together as structures for each of the above data sets. These algorithms have successfully picked out all activity fitting certain adjustable criteria. The resulting groups of events are then statistically analyzed to determine which characteristics can be used to distinguish the inter-moss loops from all other structures. While a few characteristic histograms reveal that manually selected inter-moss loops lie outside the norm, a combination of several characteristics will need to be used to determine the statistical likelihood that a group of events be categorized automatically as a loop of interest. The goal of this project is to be able to automatically pick out inter-moss loops from an entire data set and calculate the characteristics that have previously been determined manually, such as length, intensity, and lifetime. We will discuss the algorithms, preliminary results, and current progress of automatic characterization.

loops↗
DOE OSTI2017

Microstructural Origins of Nonlinear Response in Associating Polymers under Oscillatory Shear

The response of associating polymers with oscillatory shear is studied through large-scale simulations. A hybrid molecular dynamics (MD), Monte Carlo (MC) algorithm is employed. Polymer chains are modeled as a coarse-grained bead-spring system. Functionalized end groups, at both ends of the polymer chains, can form reversible bonds according to MC rules. Stress-strain curves show nonlinearities indicated by a non-ellipsoidal shape. We consider two types of nonlinearities. Type I occurs at a strain amplitude much larger than one, type II at a frequency at which the elastic storage modulus dominates the viscous loss modulus. In this last case, the network topology resembles that of the system at rest. The reversible bonds are broken and chains stretch when the system moves away from the zero-strain position. For type I, the chains relax and the number of reversible bonds peaks when the system is near an extreme of the motion. During the movement to the other extreme of the cycle, first a stress overshoot occurs, then a yield accompanied by shear-banding. Lastly, the network restructures. Interestingly, the system periodically restores bonds between the same associating groups. Even though major restructuring occurs, the system remembers previous network topologies.

36 MATERIALS SCIENCE↗
DOE OSTI2023

2023 American Society for Mass Spectrometry (ASMS) 71st Annual Conference on Mass Spectrometry and Allied Topics

Introduction (120 words max) Understanding metal-cluster chemistry occuring at solvent boundaries in the aqueous and organic phases has applications in environments from cellular processes to nuclear fuel reprocessing. Transport of metal ions at the boundaries from aqueous to organic phases involves forming a metal-ligand complex, and wherever the initial metal coordination environment is significantly different from the final one, the metal transitions through a series of transient species in passing from one phase to another. Here an investigation of the role of coordination in the chemistry of the transient species using gas-phase measurements that are free of solvent effects to better understand the binding of complexes of metals with triphenylphosphine chalcogenide ligands, examining metal-ligand homo- and hetero-dimers to better understand transient species. Methods (120 word max) Mass spectrometry and collision induced dissociation (CID) experiments were performed with a Bruker (Billerica, MA, USA) micrOTOF-Q II quadrupole time-of-flight mass spectrometer (QTOF) and Bruker amaZon speed ETD (ion trap). High resolution/high mass accuracy spectra were generated using the QTOF. External calibration was performed with Agilent (Santa Clara, CA, USA) ESI-L Low Concentration tuning mix. Both mass spectrometers were equipped with either the electrospray ionization source or nanospray sources. Metal samples were prepared between 40 – 60 uM of the metal-ligand complex in 25% water and 75% acetonitrile. Metal-ion clusters were isolated and subjected to collision induced dissociation. Density functional theory calculations were performed. Preliminary Data or Plenary Speakers Abstract (300 words max) Metal ion clusters with triphenylphosphine chalcogenide ligands were observed for group I metals with triphenylphosphine chalcogenide samples in the mass spectrum upon electrospray ionization. For each metal ligand complex of interest, the parent ion was isolated and collision induced dissociation fragmentation spectra were acquired. We observed clusters of group I metal with triphenylphosphine oxide, triphenyl phosphine sulfide, and triphenylphosphine selenide, with homodimers and heterodimer formation. In samples where the ligands were mixed, we observed mixed sodium ligand clusters at varying amounts. These mixed ligand clusters were fragmented. Metal clusters of mixed ligand dimers containing triphenylphosphine oxide showed preferential loss of the other ligand, either triphenylphosphine sulfide or triphenyl selenide. In samples with mixed triphenylphosphine sulfide and triphenylphosphine selenium ligands, sodium bound similarly between the ligands, and losses were more evenly split, showing loss ratio upon CID with losses of triphenylphosphine sulfide:triphenylphosphine selenide 43:57 ratio observed on CID. These results suggest that the oxide binds significantly more strongly than either the selenium or sulfur triphenylphosphine ligand, and the sulfur and selenium ligands are more evenly bound. Calculations were performed using density functional theory to calculate likely structures and bond energies between the group I metal and the ligands. Novel Aspect Novel analysis of sodium bound dimers with chalcogenide triphenylphosphine ligands were investigated using mass spectrometry and theoretical calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Correlation functions from a unified variational principle: Trial Lie groups

Time-dependent expectation values and correlation functions for many-body quantum systems are evaluated by means of a unified variational principle. It optimizes a generating functional depending on sources associated with the observables of interest. It is built by imposing through Lagrange multipliers constraints that account for the initial state (at equilibrium or off equilibrium) and for the backward Heisenberg evolution of the observables. The trial objects are respectively akin to a density operator and to an operator involving the observables of interest and the sources. We work out here the case where trial spaces constitute Lie groups. This choice reduces the original degrees of freedom to those of the underlying Lie algebra, consisting of simple observables; the resulting objects are labeled by the indices of a basis of this algebra. Explicit results are obtained by expanding in powers of the sources. Zeroth and first orders provide thermodynamic quantities and expectation values in the form of mean-field approximations, with dynamical equations having a classical Lie–Poisson structure. At second order, the variational expression for two-time correlation functions separates–as does its exact counterpart–the approximate dynamics of the observables from the approximate correlations in the initial state. Two building blocks are involved: (i) a commutation matrix which stems from the structure constants of the Lie algebra; and (ii) the second-derivative matrix of a free-energy function. The diagonalization of both matrices, required for practical calculations, is worked out, in a way analogous to the standard RPA. The ensuing structure of the variational formulae is the same as for a system of non-interacting bosons (or of harmonic oscillators) plus, at non-zero temperature, classical Gaussian variables. This property is explained by mapping the original Lie algebra onto a simpler Lie algebra. The results, valid for any trial Lie group, fulfill consistency properties and encompass several special cases: linear responses, static and time-dependent fluctuations, zero- and high-temperature limits, static and dynamic stability of small deviations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

RhizoVision Explorer: open-source software for root image analysis and measurement standardization

Abstract Roots are central to the function of natural and agricultural ecosystems by driving plant acquisition of soil resources and influencing the carbon cycle. Root characteristics like length, diameter and volume are critical to measure to understand plant and soil functions. RhizoVision Explorer is an open-source software designed to enable researchers interested in roots by providing an easy-to-use interface, fast image processing and reliable measurements. The default broken roots mode is intended for roots sampled from pots and soil cores, washed and typically scanned on a flatbed scanner, and provides measurements like length, diameter and volume. The optional whole root mode for complete root systems or root crowns provides additional measurements such as angles, root depth and convex hull. Both modes support providing measurements grouped by defined diameter ranges, the inclusion of multiple regions of interest and batch analysis. RhizoVision Explorer was successfully validated against ground truth data using a new copper wire image set. In comparison, the current reference software, the commercial WinRhizo™, drastically underestimated volume when wires of different diameters were in the same image. Additionally, measurements were compared with WinRhizo™ and IJ_Rhizo using a simulated root image set, showing general agreement in software measurements, except for root volume. Finally, scanned root image sets acquired in different labs for the crop, herbaceous and tree species were used to compare results from RhizoVision Explorer with WinRhizo™. The two software showed general agreement, except that WinRhizo™ substantially underestimated root volume relative to RhizoVision Explorer. In the current context of rapidly growing interest in root science, RhizoVision Explorer intends to become a reference software, improve the overall accuracy and replicability of root trait measurements and provide a foundation for collaborative improvement and reliable access to all.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2014

MODELING POTENTIAL IMPACTS OF SO2 CO-INJECTED WITH CO2 ON THE KNOX GROUP, WESTERN KENTUCKY

Understanding potential long-term impacts of CO2 impurities, such as sulfur and nitrogen compounds, on deep carbon storage reservoirs is of considerable interest because co-injection of the impurities with CO2 can bring significant economic and environmental benefits. The Cambrian–Ordovician Knox Group, a thick sequence of dolostone (Beekmantown Dolomite) with minor dolomitic sandstone (Gunter Sandstone), in western Kentucky, USA, has been evaluated as a prospective CO2 sequestration target. In this study, TOUGHREACT was used to build 1-D radial models to simulate the potential impacts of co-injected CO2 and SO2 on minerals, pore fluids, and porosity and permeability in the Beekmantown Dolomite and the Gunter Sandstone. Co-injection of a mass ratio of 2.5 percent SO2 and 97.5 percent CO2, representative of flue gas from coal-fired plants, was simulated and the co-injection simulations were compared to models with CO2 only injections. The model results suggest that the major impacts of added SO2 for both the Beekmantown and the Gunter rocks were significant enhancement of dissolution of dolomite and precipitation of anhydrite, leading to noticeable increases in porosity and permeability. The Gunter Sandstone appeared to be more active with SO2 than the Beekmantown Dolomite. More dolomite was dissolved in the Gunter than in the Beekmantown with the same SO2 impurity. Consequently, porosity was raised more in the Gunter than in the Beekmantown. On the other hand, the impacts on aluminosilicate minerals appeared to be insignificant in both reservoirs, slightly changing the rates of precipitation/dissolution but the overall reaction paths remained the same.

Zhu, Junfeng↗
NASA NTRS1986

Filament disappearances

The phenomenon of the sudden filament disappearance (Disparition Brusque) is a familiar one to observers at H alpha telescopes. Nevertherless, the importance in Disparition Brusques (DB) continues to grow for several reasons which are cited in the discussion. It is reported that there seems to be more interest on building and maintain filaments than in destroying them. As a consequence, this sub-group is smaller than most of the others. All the same, progress in this area of filament disapperences seems steady and assured. The importance and interest in DBs is discussed and future directions are indicated.

Wagner, William J.↗
DOE OSTI2026

Tin–Lead Liquid Metal Alloy Source for Focused Ion Beams

Focused Ion Beam (FIB) systems are increasingly utilized in nanotechnology for nanostructuring, surface modification, doping, and rapid prototyping. Recently, their potential for quantum applications has been explored, leveraging FIB’s direct-write capabilities for in situ single ion implantation, which is crucial for fabricating single photon emitters. Color centers in diamond can function as qubits and are of particular interest due to their capacity to store and transmit quantum information. While Group-IV color centers exhibit high brightness, they require low temperatures to retain coherence. However, lead-vacancy in diamond (PbV) operates at the higher end (4 K) of this temperature spectrum due to larger ground-state splitting, making them particularly interesting. In this context, our study presents results for lead (Pb)-containing alloys with eutectic points below 600 °C and results on using tantalum (Ta) and titanium (Ti) as emitter materials for a Pb liquid metal alloy ion source. We show that a standard FIB system is able to resolve the different Pb isotopes and achieve nanoscale spot sizes, as required for quantum information science applications.

color center↗
NASA NTRS1978

Swept group delay measurement

Direct recording of group delay measurements on a system under temperature and stress tests employs modulated carrier frequency sweep over an S or X band. Reference path and test paths to separate detectors utilize a power divider e.g., a directional coupler or a hybrid T junction. An initially balanced phase comparator is swept in frequency by modulated carrier over the band of interest for different conditions of temperature and/or mechanical stress to obtain characteristic group delay curves.

Trowbridge, D. L.↗
DOE OSTI2019

Phases of flavor broken QCD 3

We map out the phase diagram of QCD 3 with a product flavor group of the form U($f$)×U($F$). We find interesting structures emerge when $ f+F>k$ depending on the relative sizes of $f,F$ and $k$. In particular, there exists phase transitions in which a Grassmannian phase will disappear and reappear in a different part of the phase diagram.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2014

Integral quantizations with two basic examples

The paper concerns integral quantization, a procedure based on operator-valued measure and resolution of the identity. We insist on covariance properties in the important case where group representation theory is involved. We also insist on the inherent probabilistic aspects of this classical–quantum map. The approach includes and generalizes coherent state quantization. Two applications based on group representation are carried out. The first one concerns the Weyl–Heisenberg group and the euclidean plane viewed as the corresponding phase space. We show that a world of quantizations exist, which yield the canonical commutation rule and the usual quantum spectrum of the harmonic oscillator. The second one concerns the affine group of the real line and gives rise to an interesting regularization of the dilation origin in the half-plane viewed as the corresponding phase space. -- Highlights: •Original approach to quantization based on (positive) operator-valued measures. •Includes Berezin–Klauder–Toeplitz and Weyl–Wigner quantizations. •Infinitely many such quantizations produce canonical commutation rule. •Set of objects to be quantized is enlarged in order to include singular functions or distributions. •Are given illuminating examples like quantum angle and affine or wavelet quantization.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Tuning inner-layer oxygen functional groups of reduced graphene oxide by potentiostatic oxidation for high performance electrochemical energy storage devices

The electrochemical lithiation/delithiation of oxygen-containing functional groups (OCFGs) of nanocarbon materials, particularly graphene, have attracted intensive interest in recent years. Here, we propose a controllable potentiostatic oxidation approach to tune the OCFGs of as-prepared reduced graphene oxide (rGO) in a carbonate-based electrolyte to improve the specific capacity and rate capability. Furthermore, by X-Ray absorption spectroscopy in total fluorescence yield mode and X-Ray diffraction, we confirm that potentiostatic oxidations generate new OCFGs in the inner-layer of rGO. The content of OCFGs increases as oxidation potential being elevated. Such increasing of OCFGs in quantity significantly enhances the capacity. For instance, the specific capacity of 170.4 mAh g -1 for pristine rGO electrode is increased to 290.5 mAh g -1 after the oxidation at 5.0 V. Finally, we demonstrate that oxidations at moderate potentials can reduce the electrochemical and ohmic polarizations of rGO electrodes without deteriorating diffusion dynamic, thereby improving rate capability. After the optimal oxidation at 4.7 V, rGO electrode exhibits an excellent rate capability, delivering 58.4 mAh g -1 at 20 A g -1 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Rare earth elements and critical metal content of extracted landfilled material and potential recovery opportunities

Highlights: • Samples from multiple core drills were obtained from 4× landfill sites in the UK. • Each sample analysed for rare earth elements, critical metals and valuable metals. • Two stage microwave digestion method ensuring high yield. • High quantities of copper and aluminium were observed in the soil layers of landfill. • Across 4× landfills aluminium and copper present has a value of around $400 million. - Abstract: Rare earth elements (REEs), Platinum group metals (PGMs) and other critical metals currently attract significant interest due to the high risks of supply shortage and substantial impact on the economy. Their uses in many applications have made them present in municipal solid waste (MSW) and in commercial and industrial waste (C&I), since several industrial processes produce by-products with high content of these metals. With over 4000 landfills in the UK alone, the aim of this study was to assess the existence of these critical metals within landfills. Samples collected from four closed landfills in UK were subjected to a two-step acid digestion to extract 27 metals of interest. Concentrations across the four landfill sites were 58 ± 6 mg kg{sup −1} for REEs comprising 44 ± 8 mg kg{sup −1} for light REEs, 11 ± 2 mg kg{sup −1} for heavy REEs and 3 ± 1 mg kg{sup −1} for Scandium (Sc) and 3 ± 1.0 mg kg{sup −1} of PGMs. Compared to the typical concentration in ores, these concentrations are too low to achieve a commercially viable extraction. However, content of other highly valuable metals (Al and Cu) was found in concentrations equating to a combined value across the four landfills of around $400 million, which increases the economic viability of landfill mining. Presence of critical metals will mainly depend on the type of waste that was buried but the recovery of these metals through landfill mining is possible and is economically feasible only if additional materials (plastics, paper, metallic items and other) are also recovered for reprocessing.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗