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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 1,207 records · Page 67
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Tuning charge carrier dynamics through spacer cation functionalization in layered halide perovskites: an ab initio quantum dynamics study

Dion–Jacobson (DJ) phase two-dimensional (2D) hybrid halide perovskites are promising for environmentally stable optoelectronic device applications due to their attractive photophysical properties, including long charge carrier lifetime and partially suppressed non-radiative losses. However, the atomistic details of the structure–property relationship are severely limited, which substantially restricts the strategic materials designed for these layered halide perovskites (LHPs). Here, we combine nonadiabatic molecular dynamics and time-domain density functional theory to understand the effects of spacer cation functionalization on the ground and excited-state charge carrier dynamics in DJ phase LHPs. Our in-depth study reveals that the fluorination of spacer cations considerably restricts the thermal motions of LHPs at ambient conditions. The compact structure weakens the overall electron–phonon interactions and reduces the thermal fluctuations of the band edges in real-time. These dynamic modifications partially mitigate the non-radiative recombination, prolonging the lifetime of photogenerated charge carriers. The suppressed carrier loss mechanism strongly suggests that the fluorinated spacer cation-based LHPs would exhibit enhanced performance as optoelectronic materials. These systematic simulations of excited state carrier dynamics elaborate that chemically viable functionalization of the spacer cations is a robust approach to improve the photophysical properties of 2D halide perovskites strategically. These insights also guide us to propose a few potential strategies to design highly beneficial spacer cations of LHPs that can be introduced in next-generation optoelectronic devices.

36 MATERIALS SCIENCE↗
NASA NTRS2007

Advancement of the Wide-angle JEM-EUSO Optical System with Holographic and Fresnel Lenses

JEM-EUSO is a space mission to observe extremely high-energy cosmic rays, evolved from the previous design studies of EUSO. It is adjusted for the Japan Experiment Module (JEM) of the International Space Station (ISS). JEM-EUSO uses a wide-angle refractive telescope in near-ultraviolet wavelength region to observe from ISS the time-and-space-resolved atmospheric fluorescence images of the extensive air showers. The JEM-EUSO optics is re-designed after the ESA-Phase A studies to upgrade the light-collecting-power by using a new material CYTOP, and its overall light-collecting power is about 1.5 times higher than the ESA-Phase A baseline optics. We describe in this paper an optimized optics design that maximizes the sensitivity of JEM-EUSO, and the results of the optics manufacturing tests.

Takizawa, Y.↗
DOE OSTI2019

Arterial Phase CTA Replacement by a Virtual Arterial Phase Reconstruction from a Venous Phase CTA: Preliminary Results Using Detector-Based Spectral CT

Objective: To assess the feasibility of creating virtual monoenergetic arterial images from venous phase CTA obtained on a detector-based spectral CT scanner and quantitatively compare the signal-to-noise (SNR) and contrast-to-noise (CNR) ratios of the major arteries to those on polyenergetic true arterial phase images. Methods: In this retrospective study, 23 patients (15 men and 8 women, median age 68 years) who underwent triple-phase CTA on a spectral CT scanner for aortic endograft surveillance were included. The venous phase CTA of each study was reconstructed to generate virtual monoenergetic images at various keV, which were compared to true arterial phase CTA images. SNR and CNR of the aortoiliac arteries were evaluated by testing the differences in means and non-inferiority of virtual arterial images to true arterial images. Effective radiation dose was calculated for standard triple-phase studies in comparison with dual-phase and single-phase spectral CT examinations. Results: Virtual monoenergetic images demonstrated non-inferior (P < 0.05) arterial SNR and CNR compared to true arterial images at 40 keV for all arteries, at 45–50 keV for the thoracic and suprarenal aorta, and at 45–55 keV for the infrarenal aorta and iliac arteries. Significantly higher (P < 0.05) arterial attenuation was obtained at 40 keV for the aortoiliac arteries. Mean effective dose for conventional triple-phase studies was 32.5 mSv in comparison with 21.3 mSv for dual-phase non-contrast/venous scans and 11.3 mSv for single-phase venous scans. Conclusions: Detector-based spectral CT enables creation of virtual monoenergetic arterial images from venous phase CTA with equivalent and in some cases significantly higher SNR/CNR of major arteries compared to images from true arterial phase polyenergetic CTA.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2018

Preheating after multifield inflation with nonminimal couplings. I. Covariant formalism and attractor behavior

This is the first of a three-part series of papers, in which we study the preheating phase for multifield models of inflation involving nonminimal couplings. We study the single-field attractor behavior that these models exhibit during inflation and quantify its strength and parameter dependence. We further demonstrate that the strong single-field attractor behavior persists after the end of inflation. Preheating in such models therefore generically avoids the “dephasing” that typically affects multifield models with minimally coupled fields, allowing efficient transfer of energy from the oscillating inflaton condensate(s) to coupled perturbations across large portions of parameter space. We develop a doubly covariant formalism for studying the preheating phase in such models and identify several features specific to multifield models with nonminimal couplings, including effects that arise from the nontrivial field-space manifold. In papers II and III, we apply this formalism to study how the amplification of adiabatic and isocurvature perturbations varies with parameters, highlighting several distinct regimes depending on the magnitude of the nonminimal couplings ${{\xi}}_{I}$.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2019

Deep Mapping of Small Solar System Bodies with Galactic Cosmic Ray Secondary Particle Showers

We will investigate the use of galactic cosmic ray (GCR) secondary particles to probe the deep interiors of small solar system bodies (SSBs), including comets, asteroids, and geologic structures on the surfaces of airless bodies. Applications include solar system science, planetary defense, and resource utilization. Our Phase I study demonstrated that muons, the long-range charged component of GCR showers, can penetrate SSBs up to a km in diameter, providing information on their interior structure. Muons produced in Earth’s atmosphere have been applied to image the interior of large objects for science and engineering. In Phase I, we found that the production of muons in the solid surfaces of airless bodies is much smaller than in Earth’s atmosphere. Nevertheless, the flux of transmitted muons is sufficient to detect inclusions within an asteroid or comet in a reasonable amount of time, ranging from hours to weeks, depending on the size of the SSB and the density contrast, position and size of the inclusion. For asteroids and comets, large density variations (e.g., porous soil or ice versus solid rock) are relatively easy to detect. The intrinsic spatial resolution of muon radiography (“muography”) is on the scale of a few meters. The spatial resolution that can be achieved in practice depends on signal intensity and integration time (counting statistics), the angular resolution of the muon tracker (hodoscope) and details of data reduction and analysis methodology. Our Phase II project will assess remaining unknowns for the application of muography to determining the interior structure of SSBs, assess risks for implementation, and provide a roadmap for development of SSB muography beyond the NIAC program. To achieve our objectives, we will focus on four interrelated tasks: Task1) Signal and background characterization: Characterize the production and transmission of muons and secondary particle backgrounds made by cosmic ray showers in SSBs; and near-surface features from radiographic and tomographic data; Task2) Imaging studies: Develop methods to determine the density structure of SSB interiors and near-surface features from radiographic and tomographic data; Task3) Instrument design: Using simulations and bench-top laboratory experiments, investigate specific concepts for the design of compact hodoscopes and components; Task4) Synthesis: Combine the results of the first three tasks to determine the range of applicability of the method, identify the steps needed for maturation of the concept, and explore concepts for a pilot muography mission.

Prettyman, Thomas H.↗
DOE OSTI2018

Magnetic phase diagram of the iron pnictides in the presence of spin-orbit coupling: Frustration between C 2 and C 4 magnetic phases

We investigate the impact of spin anisotropic interactions, promoted by spin-orbit coupling, on the magnetic phase diagram of the iron-based superconductors. Three distinct magnetic phases with Bragg peaks at (π,0) and (0, π) are possible in these systems: one C 2 (i.e., orthorhombic) symmetric stripe magnetic phase and two C 4 (i.e., tetragonal) symmetric magnetic phases. While the spin anisotropic interactions allow the magnetic moments to point in any direction in the C 2 phase, they restrict the possible moment orientations in the C 4 phases. As a result, an interesting scenario arises in which the spin anisotropic interactions favor a C 2 phase, but the other spin isotropic interactions favor a C 4 phase. We study this frustration via both mean-field and renormalization-group approaches. We find that, to lift this frustration, a rich magnetic landscape emerges well below the magnetic transition temperature, with interesting C 2 , C 4 , and mixed C 2 – C 4 phases. Near the putative magnetic quantum critical point, spin anisotropies promote a stable Gaussian fixed point in the renormalization-group flow, which is absent in the spin isotropic case, and is associated with a near-degeneracy between C 2 and C 4 phases. Here, we argue that this frustration is the reason why most C 4 phases in the iron pnictides only appear inside the C 2 phase, and discuss additional manifestations of this frustration in the phase diagrams of these materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Tuning the critical Li intercalation concentrations for MoX 2 bilayer phase transitions using classical and machine learning approaches

Transition metal dichalcogenides (TMDs) such as MoX 2 are known to undergo a structural phase transformation as well as a change in the electronic conductivity upon Li intercalation. These properties make them candidates for charge tunable ion-insertion materials that could be used in electro-chemical devices for neuromorphic computing applications. In this work we study the phase stability and electronic structure of Li-intercalated bilayer MoX 2 with X=S, Se or Te. Using first-principles calculations in combination with classical and machine learning modeling approaches we find that the energy needed to stabilize the conductive phase decreases with increasing atomic mass of the chalcogen atom X. A similar decreasing trend is found in the threshold Li concentration where the structural phase transition takes place. While the electronic conductivity increases with increasing ion concentration at low concentrations, we do not observe a conductivity jump at the phase transition point.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Electronic Structure and Phase Stability of Yb-filled CoSb 3 Skutterudite Thermoelectrics from First Principles

Filling the large voids in the crystal structure of the skutterudite CoSb$_3$ with rattler atoms $R$ provides an avenue for both increasing carrier concentration and disrupting lattice heat transport, leading to impressive thermoelectric performance. While the influence of $R$ on the lattice dynamics of skutterudite materials has been well studied, the phase stability of $R$-filled skutterudite materials and the influence of the presence and ordering of $R$ on the electronic structure remain unclear. Here, focusing on the Yb-filled skutterudite Yb$_x$Co$_4$Sb$_{12}$, we employ first-principles methods to compute the phase stability and electronic structure. Yb-filled CoSb$_3$ exhibits (1) a mild tendency for phase separation into Yb-rich and Yb-poor regions and (2) a strong tendency for chemical decomposition into Co--Sb and Yb--Sb binaries (i.e., CoSb$_3$, CoSb$_2$, and YbSb$_2$). We find that, at reasonable synthesis temperatures, configurational entropy stabilizes single-phase solid solutions with limited Yb solubility, in agreement with experiments. Filling CoSb$_3$ with Yb increases the band gap, enhances the carrier effective masses, and generates new low-energy ``emergent'' conduction band minima, which is distinct from the traditional band convergence picture of aligning the energies of existing band extrema. The explicit presence of $R$ is necessary to achieve the emergent conduction band minima, though the rattler ordering does not strongly influence the electronic structure. The emergent conduction bands are spatially localized in the Yb-rich regions, unlike the delocalized electronic states at the Brillouin zone center that form the unfilled skutterudite band edges.

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

The Comet Astrobiology Exploration Sample Return (CAESAR) Mission

The Comet Astrobiology Exploration Sample Return (CAESAR) mission will acquire and return to Earth for laboratory analysis a minimum of 80 grams of surface material from the nucleus of comet 67P/Chur-yumov-Gerasimenko (67P). CAESAR will characterize the surface region sampled, preserve the collected sample in a pristine state, and return evolved volatiles by capturing them in a separate gas reservoir. NASA Goddard Space Flight Center provides project management, systems engineering, safety and mission assurance, contamination control, mission operations, and many other important functions. Northrop Grumman Space Systems will build the spacecraft, based on Dawn mission heritage, which like CAESAR, uses solar electric propulsion. CAESAR was selected by for Phase A study in the New Frontiers 4 Competition and will be proposed to New Frontiers 5.Collection of a sample from the surface of comet 67P is facilitated by a set of cameras that together provide images to support sample site selection, perform optical navigation, and document the sample before, during, and after col-lection. The sample is collected at the end of an arm during a 5-second touch-and-go (TAG) maneuver with the Sample Acquisition System (SAS)designed by Honeybee Robotics for the surface properties of comet 67P observed by the Rosetta mission. After sample collection, and while the sample is still cold (< -80°C), the TAG Arm inserts the sample container into the Sample Containment System (SCS) mounted inside the Sample Return Capsule (SRC). The SCS is sealed, preventing the sample from escaping into space. The sample is slowly warmed inside the SCS to enable sublimation of volatiles, which are collected in the Gas Containment System (GCS), a passively cooled gas reservoir. Separating the volatiles from the solid sample protects the solid sample from alteration. Once all sublimated H2O is transferred to the GCS, the GCS is sealed to capture the volatile sit contains, and the SCS is vented to space to maintain the solid sample under vacuum. The SCS vent is closed before Earth entry to prevent atmospheric contamination. Detailed laboratory analyses of the sample from 67P will trace the history of volatile reservoirs, delineate the chemical pathways that led from simple interstellar species to complex molecules, constrain the evolution of the comet, and evaluate the role of comets in delivering water and prebiotic organics to the early Earth. CAESAR will achieve these goals by carrying out coordinated sample analyses that will link macroscopic properties of the comet with microscale mineralogy, chemistry, and isotopic studies of volatiles and solids. Most of the sample (≥75%) will be set aside for analyses by generations of scientists using continually advancing tools and methods, yielding an enduring scientific treasure that only sample return can provide. This presentation will review development conducted during NF4 Phase A and discuss the NF5 mission concept.

A G Hayes↗
DOE OSTI2019

Assessing overall building energy performance of a large population of residential single-family homes using limited field data

The U.S. Department of Energy (DOE), through the Building Energy Codes Program (BECP), supports building energy code development and implementation processes to achieve the maximum practicable, cost-effective improvements in energy efficiency while providing safe, healthy buildings for occupants. Currently, there is a lack of statistically representative data that shows how energy codes are implemented in the field and the energy savings opportunities that exist. To address this gap, DOE initiated a research study targeted at new residential single-family homes in 8 states starting in the fall of 2014. The study comprises of a baseline phase to determine current levels of compliance with the key energy provisions of the residential building energy code, identify issues, and calculate potential energy savings from improved compliance; a second phase implementing education, training and outreach activities designed to increase targeted code compliance; and a post-study phase to measure the impact of the training and outreach activities compared to the baseline phase. Initial analyses determined the code requirements with the largest energy impact and the minimum number of observations required to detect statistically significant differences in energy use. Data was collected in the field during a single site visit to avoid bias from repeat visits. However, the single site visit principle prevented energy simulation of individual homes due to the lack of all required model inputs. To address this, energy simulation was conducted using Pacific Northwest National Laboratory’s prototype building models and employing bootstrap random sampling on the data collected from all homes visited. The modeled energy consumption using the observed field data was evaluated relative to that associated with the minimum code requirements and potential savings associated with improved compliance of select items were assessed. This paper discusses the methodology developed for this field study, and presents the results and findings from the baseline phase.

Xie, YuLong↗
NASA NTRS1989

Mars Rover Sample Return aerocapture configuration design and packaging constraints

This paper discusses the aerodynamics requirements, volume and mass constraints that lead to a biconic aeroshell vehicle design that protects the Mars Rover Sample Return (MRSR) mission elements from launch to Mars landing. The aerodynamic requirements for Mars aerocapture and entry and packaging constraints for the MRSR elements result in a symmetric biconic aeroshell that develops a L/D of 1.0 at 27.0 deg angle of attack. A significant problem in the study is obtaining a cg that provides adequate aerodynamic stability and performance within the mission imposed constraints. Packaging methods that relieve the cg problems include forward placement of aeroshell propellant tanks and incorporating aeroshell structure as lander structure. The MRSR missions developed during the pre-phase A study are discussed with dimensional and mass data included. Further study is needed for some missions to minimize MRSR element volume so that launch mass constraints can be met.

Lawson, Shelby J.↗
DOE OSTI2018

Optical Methods for Identifying Hard Clay Core Samples During Petrophysical Studies

X-ray phase analysis of the general mineralogical composition of core samples from one of the West Siberian fields was performed. Electronic absorption spectra of the clay core samples with an added indicator were studied. The speed and availability of applying the two methods in petrophysical laboratories during sample preparation for standard and special studies were estimated.

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

Effect of Doping Density on the Performance of Metamorphic GaInAs Solar Cells Grown by Dynamic Hydride Vapor Phase Epitaxy

We study the effect of doping density on the performance of inverted metamorphic ~1 eV GaInAs solar cells grown by dynamic hydride vapor phase epitaxy. We find that the doping efficiency of Se in this material is extremely high, with 5x10 17 cm -3 being the lowest controlled value we could achieve with our present Se source. We compared rear heterojunction devices grown with intentional n-doping of 5x10 17 cm -3 and unintentional n-doping of 5x10 15 cm -3 . The intentionally doped sample exhibited an open circuit voltage ~80 mV higher than the unintentionally doped sample due to reduced dark current, and a bandgap voltage offset, or W OC , of 0.407 V. We believe that future doping optimization will improve carrier collection and W OC in these devices.

GaAs↗
NASA NTRS1984

Space platform expendables resupply concept definition study, volume 2

NASA has recognized that the capability for remote resupply of space platform expendable fluids will help transition space utilization into a new era of operational efficiency and cost/effectiveness. The emerging Orbital Maneuvering System (OMV) in conjunction with an expendables resupply module will introduce the capability for fluid resupply enabling satellite lifetime extension at locations beyond the range of the Orbiter. This report summarizes a Phase A study of a remote resupply module for the OMV. Volume 2 represents study results.

Source record↗
NASA NTRS2005

Effect of Variable Emittance Coatings on the Operation of a Miniature Loop Heat Pipe

Abstract. As the size of spacecraft shrink to accommodate small and more efficient instruments, smaller launch vehicles, and constellation missions, all subsystems must also be made smaller. Under NASA NFL4 03-OSS-02, Space Technology-8 (ST 8), NASA Goddard Space Flight Center and Jet Propulsion Laboratory jointly conducted a Concept Definition study to develop a miniature loop heat pipe (MLHP) thermal management system design suitable for future small spacecraft. The proposed MLHP thermal management system consists of a miniature loop heat pipe (LHP) and deployable radiators that are coated with variable emittance coatings (VECs). As part of the Phase A study and proof of the design concept, variable emittance coatings were integrated with a breadboard miniature loop heat pipe. The miniature loop heat pipe was supplied by the Jet Propulsion Laboratory (PL), while the variable emittance technology were supplied by Johns Hopkins University Applied Physics Laboratory and Sensortex, Inc. The entire system was tested under vacuum at various temperature extremes and power loads. This paper summarizes the results of this testing and shows the effect of the VEC on the operation of a miniature loop heat pipe.

Douglas, Donya M.↗
NASA NTRS2008

Binary Colloidal Alloy Test-5: Phase Separation

The Binary Colloidal Alloy Test - 5: Phase Separation (BCAT-5-PhaseSep) experiment will photograph initially randomized colloidal samples onboard the ISS to determine their resulting structure over time. This allows the scientists to capture the kinetics (evolution) of their samples, as well as the final equilibrium state of each sample. BCAT-5-PhaseSep studies collapse (phase separation rates that impact product shelf-life); in microgravity the physics of collapse is not masked by being reduced to a simple top and bottom phase as it is on Earth.

Lynch, Matthew↗
DOE OSTI2020

Long-Range Ordered Amorphous Atomic Chains as Building Blocks of a Superconducting Quasi-One-Dimensional Crystal

Crystalline and amorphous structures are two of the most common solid-state phases. Crystals having orientational and periodic translation symmetries are usually both short-range and long-range ordered, while amorphous materials have no long-range order. Short-range ordered but long-range disordered materials are generally categorized into amorphous phases. In contrast to the extensively studied crystalline and amorphous phases, the combination of short-range disordered and long-range ordered structures at the atomic level is extremely rare and so far has only been reported for solvated fullerenes under compression. Here, a report on the creation and investigation of a superconducting quasi-1D material with long-range ordered amorphous building blocks is presented. Using a diamond anvil cell, monocrystalline (TaSe4)(2)I is compressed and a system is created where the TaSe(4)atomic chains are in amorphous state without breaking the orientational and periodic translation symmetries of the chain lattice. Strikingly, along with the amorphization of the atomic chains, the insulating (TaSe4)(2)I becomes a superconductor. The data provide critical insight into a new phase of solid-state materials. The findings demonstrate a first ever case where superconductivity is hosted by a lattice with periodic but amorphous constituent atomic chains.

combination of crystalline and amorphous structure↗
NASA NTRS1991

Determination of lunar ilmenite abundances from remotely sensed data

The mineral ilmenite (FeTiO3) was found in abundance in lunar mare soils returned during the Apollo project. Lunar ilmenite often contains greater than 50 weight-percent titanium dioxide (TiO2), and is a primary potential resource for oxygen and other raw materials to supply future lunar bases. Chemical and spectroscopic analysis of the returned lunar soils produced an empirical function that relates the spectral reflectance ratio at 400 and 560 nm to the weight percent abundance of TiO2. This allowed mapping of the lunar TiO2 distribution using telescopic vidicon multispectral imaging from the ground; however, the time variant photometric response of the vidicon detectors produced abundance uncertainties of at least 2 to 5 percent. Since that time, solid-state charge-coupled device (CCD) detector technology capable of much improved photometric response has become available. An investigation of the lunar TiO2 distribution was carried out utilizing groundbased telescopic CCD multispectral imagery and spectroscopy. The work was approached in phases to develop optimum technique based upon initial results. The goal is to achieve the best possible TiO2 abundance maps from the ground as a precursor to lunar orbiter and robotic sample return missions, and to produce a better idea of the peak abundances of TiO2 for benefaction studies. These phases and the results are summarized.

Larson, Stephen M.↗