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At least 361 records · Page 20

Transforming ENERGY through Computational Excellence

Computational methods underpin advancing the science and engineering of energy efficiency, sustainable transportation, renewable power technologies, and developing a knowledge base to optimize energy systems. Researchers with access to enough computing, and the right type, can focus their ingenuity and creativity on addressing the energy challenges. NREL’s advanced computing influence spans several common themes across the Office of Energy Efficiency and Renewable Energy (EERE), including materials discovery, process modeling, fluid dynamics, resource mapping, and analysis of large-scale systems with real-time optimization.

advanced computing↗

The chemical effects of the Martian environment on power system component materials: A theoretical approach

In the foreseeable future, an expedition may be undertaken to explore the planet Mars. Some of the power source options being considered for such a mission are photovoltaics, regenerative fuel cells and nuclear reactors. In addition to electrical power requirements, environmental conditions en route to Mars, in the planetary orbit and on the Martian surface must be simulated and studied in order to anticipate and solve potential problems. Space power systems components such as photovoltaic arrays, radiators, and solar concentrators may be vulnerable to degradation in the Martian environment. Natural characteristics of Mars which may pose a threat to surface power systems include high velocity winds, dust, ultraviolet radiation, large daily variation in temperature, reaction to components of the soil, atmosphere and atmospheric condensates as well as synergistic combinations. Most of the current knowledge of the characteristics of the Martian atmosphere and soil composition was obtained from the Viking 1 and 2 missions in 1976. A theoretical study is presented which was used to assess the effects of the Martian atmospheric conditions on the power systems components. A computer program written at NASA-Lewis for combustion research that uses a free energy minimization technique was used to calculate chemical equilibrium for assigned thermodynamic states of temperature and pressure. The power system component materials selected for this study include: silicon dioxide, silicon, carbon, copper, and titanium. Combinations of environments and materials considered include: (1) Mars atmosphere with power surface material, (2) Mars atmosphere and dust component with power surface material, and (3) Mars atmosphere and hydrogen peroxide or superoxide or superoxide with power system material. The chemical equilibrium calculations were performed at a composition ratio (oxidant to reactant) of 100. The temperature for the silicon dioxide material and silicon, which simulate photovoltaic cells, were 300 and 400 K; for carbon, copper and titanium, which simulate radiator surfaces, 300, 500, and 1000 K. All of the systems were evaluated at pressures of 700, 800, and 900 Pa, which stimulate the Martian atmosphere.

Perez-Davis, Marla E.↗

Understanding and controlling lithium morphology in solid polymer and gel polymer systems: mechanisms, strategies, and gaps

Lithium metal anode promises the highest theoretical energy density and may enable high energy designs such as lithium–sulfur and lithium–air batteries. However, stable lithium plating and stripping remains a challenge in all electrolyte systems including liquids, polymers, and ceramic electrolytes. In this perspective, we examine literature studies of lithium morphologies in solid polymer and gel polymer systems and compare that with well-studied liquid electrolytes. In solid polymer electrolytes, current density and mechanical properties are both governing parameters for lithium morphology, differing from conventional liquid electrolytes. Stable lithium electrodeposition may be accomplished by a polymer electrolyte with good stiffness operating at significantly lower current densities than its limiting current density, which is defined by the Sand equation. In gel polymer electrolytes, the reported lithium morphology is more similar to that in liquid electrolytes, suggesting similar nucleation and growth mechanisms. Based on experimental evidence and theoretical guidance, current strategies to control lithium morphology in solid polymer and gel polymer electrolytes are summarized. The limitations of these strategies are discussed. In particular, we note the knowledge gap in understanding the solid electrolyte interphase in solid polymer systems and the critical role it can play in regulating lithium morphologies.

36 MATERIALS SCIENCE↗

Textile Material Lessons Learned During the Design and Qualification of the NASA Orion Capsule Parachute Assembly System

The NASA Orion Capsule Parachute Assembly System (CPAS) development and qualification testing was completed in September 2018. Over the course of the airdrop and ground testing campaign, the team benefited from the ability to design, test, and adjust the design based on observations and inspection results. While the design team used the best knowledge available and attempted to utilize best practices, a number of lessons were learned that should be documented for consideration by future designers. This paper describes these lessons learned including the use of textile reefing loops, the importance of performing joint tests, the impact of using bight sleeves on parachute deployment, and a surprising number of design changes required in the CPAS system after the decision was made to change the suspension line braid to save system mass.

Anderson, Brian P.↗

Novel color center platforms enabling fundamental scientific discovery

Abstract Color centers are versatile systems that generate quantum light, sense magnetic fields and produce spin‐photon entanglement. We review how these properties have pushed the limits of fundamental knowledge in a variety of scientific disciplines, from rejecting local‐realistic theories to sensing superconducting phase transitions. In the light of recent progress in material processing and device fabrication, we identify new opportunities for interdisciplinary fundamental discoveries in physics and geochemistry. image

24 POWER TRANSMISSION AND DISTRIBUTION↗

NMR Studies of Block Copolymer-Based Supramolecules in Solution

Hierarchical assemblies from block copolymer (BCP)-based supramolecules have shown immense potential as programmable materials owing to their versatility for incorporating functional molecules and provide access to arrays of hierarchical structures. However, there remains a knowledge gap on the formation of the supramolecule in solution. Here, we applied NMR techniques to investigate the solution-phase behavior of the most studied supramolecular systems, polystyrene-block-poly(4-vinylpyridine)(3-pentadecylphenol) (PS-b-P4VP(PDP) r ). The results show that the supramolecule likely adopts a coil-comb conformation, despite the small molecule's (PDP) rapid exchange between the bonded and free states. The exchange rate (>10 4 s -1 ) exceeds the NMR time scale at the frequency of interest. The supramolecules form under dilute conditions (~2 vol %) and are attributed to the enthalpic gain of the hydrogen bonding between the PDP and 4VP. As the solute concentration increases (>10 vol %), the supramolecule forms micelle-like aggregates with PDP accumulated within the comb-block's pervaded volume based on analysis of the apparent molecular weight, viscosity, and chain dynamics. Overall, this work sheds light on the long-standing question regarding the evolution of the constituents in the BCP-based supramolecule in solution and provides valuable guidance toward their solution-based processing and morphological control.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Knowledge-based graphical interfaces for presenting technical information

Designing effective presentations of technical information is extremely difficult and time-consuming. Moreover, the combination of increasing task complexity and declining job skills makes the need for high-quality technical presentations especially urgent. We believe that this need can ultimately be met through the development of knowledge-based graphical interfaces that can design and present technical information. Since much material is most naturally communicated through pictures, our work has stressed the importance of well-designed graphics, concentrating on generating pictures and laying out displays containing them. We describe APEX, a testbed picture generation system that creates sequences of pictures that depict the performance of simple actions in a world of 3D objects. Our system supports rules for determining automatically the objects to be shown in a picture, the style and level of detail with which they should be rendered, the method by which the action itself should be indicated, and the picture's camera specification. We then describe work on GRIDS, an experimental display layout system that addresses some of the problems in designing displays containing these pictures, determining the position and size of the material to be presented.

Feiner, Steven↗

Development of a teaching tool to encourage high school students to study aerospace technical subjects

This report details the efforts to develop a design competition aimed at high school students which will encourage them to study aerospace technical subjects. It has been shown that such competitions - based on an industry simulation game - are valuable ways to energize high school students to study in this area. Under the grant, a new competition scenario was developed, in keeping with NASA-Dryden's mission to develop aircraft and foster knowledge about aeronautics. Included are preliminary background materials and information which, if the grant is continued, would form the basis of a national competition for high school students, wherein they would design an Aerospaceport in a future year, taking into consideration the requirements of aircraft, spacecraft- ground transportation systems, passengers who use the facility, and employees who operate it. Many of the Competition methods were studied and tested during two existing local competitions in the disadvantaged communities of Lancaster and Victorville, California.

Gale, Anita↗

The Science Case for Spacecraft Exploration of the Uranian Satellites: Candidate Ocean Worlds in an Ice Giant System

The 27 satellites of Uranus are enigmatic, with dark surfaces coated by material that could be rich in organics. Voyager 2 imaged the southern hemispheres of Uranus’s five largest “classical” moons—Miranda, Ariel, Umbriel, Titania, and Oberon, as well as the largest ring moon, Puck—but their northern hemispheres were largely unobservable at the time of the flyby and were not imaged. Additionally, no spatially resolved data sets exist for the other 21 known moons, and their surface properties are essentially unknown. Because Voyager 2 was not equipped with a near-infrared mapping spectrometer, our knowledge of the Uranian moons’ surface compositions, and the processes that modify them, is limited to disk-integrated data sets collected by ground- and space-based telescopes. Nevertheless, images collected by the Imaging Science System on Voyager 2 and reflectance spectra collected by telescope facilities indicate that the five classical moons are candidate ocean worlds that might currently have, or had, liquid subsurface layers beneath their icy surfaces. To determine whether these moons are ocean worlds, and to investigate Uranus’s ring moons and irregular satellites, close-up observations and measurements made by instruments on board a Uranus orbiter are needed.

Richard J. Cartwright↗

Interactions involved in the adsorption of ethylene glycol and 2-hydroxyethoxide on the Au(111) surface: a Density Functional Theory study

Abstract Context:The monolayers of ethylene glycol and 2-hydroxyethoxide on gold surfaces have been used in hybrid materials as biosensors. In this article, the adsorption of ethylene glycol and 2-hydroxyethoxide on the Au(111) surface was analyzed. For the first system, ethylene glycol on Au(111), there are Au$$\cdot \cdot \cdot $$ · · · O and Au$$\cdot \cdot \cdot $$ · · · H interactions. To the best of our knowledge, the Au$$\cdot \cdot \cdot $$ · · · H interaction has been overlooked until now. However, in this work, there is strong evidence that this interaction is important to stabilize the system. For the second system, the atomic interactions mentioned previously are also predicted, although there is an additional interaction between 2-hydroxyethoxide molecules. Such an interaction induces the link -O-H-O-, with high values of the electron density at the critical points of the corresponding bond path of the O-H interaction. These links suggest the forming of ethylene glycol chains.Methods:The calculations were performed using two exchange-correlation functionals: BEEF-vdW and C09$$_{x}$$ x -vdW; both functionals incorporate dispersion effects within the Kohn-Sham approach in Density Functional Theory as implemented in GPAW code and ASE computational packages. The contacts between the molecules considered in this article and the Au(111) surface were analyzed through the Quantum Theory of Atoms in Molecules implemented in GPUAM code.

Biochemistry & Molecular Biology↗

Climate-Mediated Changes to Linked Terrestrial and Marine Ecosystems across the Northeast Pacific Coastal Temperate Rainforest Margin

Coastal margins are important areas of materials flux that link terrestrial and marine ecosystems. Consequently, climate-mediated changes to coastal terrestrial ecosystems and hydrologic regimes have high potential to influence nearshore ocean chemistry and food web dynamics. Research from tightly coupled, high-flux coastal ecosystems can advance understanding of terrestrial–marine links and climate sensitivities more generally. In the present article, we use the northeast Pacific coastal temperate rainforest as a model system to evaluate such links. We focus on key above- and belowground production and hydrological transport processes that control the land-to-ocean flow of materials and their influence on nearshore marine ecosystems. We evaluate how these connections may be altered by global climate change and we identify knowledge gaps in our understanding of the source, transport, and fate of terrestrial materials along this coastal margin. Finally, we propose five priority research themes in this region that are relevant for understanding coastal ecosystem links more broadly.

temperate rainforest, coastal margin, climate chan↗

Nanoengineering of Complex Materials

We are primarily interested in two important biomimetic principles, namely, self-assembly based on supramolecular chemistry and the use of these structures to template in organic phases as observed in biomineralization. The projects proposed are inspired by some of our achievements in the previous funding period described above, and also by preliminary data gathered recently which we describe below. In addition to our broad objective of acquiring knowledge in supramolecular self-assembly and templating of organic–inorganic hybrid materials, we also propose here work on biomolecular structures based on DNA, peptide nucleic acids, and peptides which can serve as models for artificial materials based on biomimetic principles. The proposed work is divided into three sections, supramolecular systems, hybrid systems, and biomolecular and biological systems. In terms of functions, we are using systems that have relevance to solar cells, catalysis, dynamic/active materials, and ferroelectrics.

36 MATERIALS SCIENCE↗

Planetary science questions for the manned exploration of Mars

A major goal of a manned Mars mission is to explore the planet and to investigate scientific questions for which the intensive study of Mars is essential. The systematic exploration of planets was outlined by the National Academy of Science. The nearest analogy to the manned Mars mission is the Apollo program and manned missions to the Moon, but the analogy is limited. The case is argued here that Mars may have to be explored far more systematically than was the pre-Apollo Moon to provide the detailed information necessary if plans are made to use any of the resources available on Mars. Viking missions provided a wealth of information, yet there are great gaps in the fundamental knowledge of essential facts such as the properties of the Martian surface materials and their interaction with the atmosphere. Building on a strong data base of precursor missions, human exploration will allow great leaps in understanding the Martian environment and geologic history and its evolutionary role in the solar system.

Blanchard, Douglas P.↗

Measurements of Lunar Dust Charging Properties by Electron Impact

Dust grains in the lunar environment are believed to be electrostatically charged predominantly by photoelectric emissions resulting from solar UV radiation on the dayside, and on the nightside by interaction with electrons in the solar wind plasma. In the high vacuum environment on the lunar surface with virtually no atmosphere, the positive and negative charge states of micron/submicron dust grains lead to some unusual physical and dynamical dust phenomena. Knowledge of the electrostatic charging properties of dust grains in the lunar environment is required for addressing their hazardous effect on the humans and mechanical systems. It is well recognized that the charging properties of individual small micron size dust grains are substantially different from the measurements on bulk materials. In this paper we present the results of measurements on charging of individual Apollo 11 and Apollo 17 dust grains by exposing them to mono-energetic electron beams in the 10-100 eV energy range. The charging/discharging rates of positively and negatively charged particles of approx. 0.1 to 5 micron radii are discussed in terms of the sticking efficiencies and secondary electron yields. The secondary electron emission process is found to be a complex and effective charging/discharging mechanism for incident electron energies as low as 10-25 eV, with a strong dependence on particle size. Implications of the laboratory measurements on the nature of dust grain charging in the lunar environment are discussed.

Abbas, Mian M.↗

Thermal Conductivity Measurements on Icy Satellite Analogs

With regard to planetary science, NASA aspires to: "Advance scientific knowledge of the origin and history of the solar system, the potential for life elsewhere, and the hazards and resources present as humans explore space". In pursuit of such an end, the Galileo and Cassini missions garnered spectral data of icy satellite surfaces implicative of the satellites' structure and material composition. The potential for geophysical modeling afforded by this information, coupled with the plausibility of life on icy satellites, has pushed Jupiter's Europa along with Saturn's Enceladus and Titan toward the fore of NASA's planetary focus. Understanding the evolution of, and the present processes at work on, the aforementioned satellites falls squarely in-line with NASA's cited goal.

cryogenics↗

Lunar Reconnaissance Orbiter Camera Observations Relating to Science and Landing Site Selection in South Pole-Aitken Basin for a Robotic Sample Return Mission

The Moon's South Pole-Aitken basin (SPA) is a high priority target for Solar System exploration, and sample return from SPA is a specific objective in NASA's New Frontiers program. Samples returned from SPA will improve our understanding of early lunar and Solar System events, mainly by placing firm timing constraints on SPA formation and the post-SPA late-heavy bombardment (LHB). Lunar Reconnaissance Orbiter Camera (LROC) images and topographic data, especially Narrow Angle Camera (NAC) scale (1-3 mpp) morphology and digital terrain model (DTM) data are critical for selecting landing sites and assessing landing hazards. Rock components in regolith at a given landing site should include (1) original SPA impact-melt rocks and breccia (to determine the age of the impact event and what materials were incorporated into the melt); (2) impact-melt rocks and breccia from large craters and basins (other than SPA) that represent the post-SPA LHB interval; (3) volcanic basalts derived from the sub-SPA mantle; and (4) older, "cryptomare" (ancient buried volcanics excavated by impact craters, to determine the volcanic history of SPA basin). All of these rock types are sought for sample return. The ancient SPA-derived impact-melt rocks and later-formed melt rocks are needed to determine chronology, and thus address questions of early Solar System dynamics, lunar history, and effects of giant impacts. Surface compositions from remote sensing are consistent with mixtures of SPA impactite and volcanic materials, and near infrared spectral data distinguish areas with variable volcanic contents vs. excavated SPA substrate. Estimating proportions of these rock types in the regolith requires knowledge of the surface deposits, evaluated via morphology, slopes, and terrain ruggedness. These data allow determination of mare-cryptomare-nonmare deposit interfaces in combination with compositional and mineralogical remote sensing to establish the types and relative proportions of materials expected at a given site. Remote sensing compositions, e.g., FeO, also constrain the relative abundances of components. Landing-site assessments use crater and boulder distributions, and slope and terrain rugge

Jolliff, B. L.↗

Current Status of Martian Moons eXploration (MMX) Contamination Control and Curation Activity

Martian Moons eXploration (MMX) is a sample return mission from the Martian moon Phobos. The MMX spacecraft is scheduled to launch in 2026 and return to Earth in 2031. The main science goals of MMX are “to reveal the origin of the Martian moons and make progress in the understanding of planetary system formation and material transport in the solar system, and to observe processes that impact the circumplanetary and surface environments of Mars”. MMX has two sampling systems: coring (C)-sampler and pneumatic (P)-sampler and plans to bring back >10 g of Phobos sample. The retuned sample in the sample capsule will be transferred to the curation facility in ISAS/JAXA for sample curation and subsequent sample analysis. Contamination control of the sample return mission requires special care to prevent terrestrial contamination to the spacecraft, which would ruin the scientific value of the returned sample. Retaining the pristineness of the retuned sample is an important task of the MMX Curation and Sampler Science teams. The basis of the contamination control is (1) to minimize and understand the nature and amount of contaminants, (2) to perform contamination assessment and evaluate the effect of contaminants in the spacecraft on the retuned sample, (3) to employ a contamination knowledge (CK) material coupon in the spacecraft to identify the contaminants in the returned samples. In the MMX contamination control plan, the allowable contamination level for each contaminant is carefully defined. They are mostly set to be 1/1000 of the expected amount of each material in the returned sample and are divided into two main categories: organic and inorganic. The allowable atmospheric leakage rate to the sample container is also defined. The allowable contamination level of the organic materials is based on the composition of carbonaceous chondrites. The target contaminants are amino acids, aliphatic and aromatic hydrocarbons, carboxylic acids, etc. In case of the inorganic materials, the target contaminants are important elements to permit distinguishing the origin of the Martian moon by nucleosynthetic isotope anomalies (Cr, Ti, and Mo) and to reveal the evolution of the Martian moon by chronology (Hf, W, U, Pb, Rb, Sr, Sm, and Nd). The key instrument of contamination control in the sample return mission is the sampler system. The C-sampler has been developed by JAXA and the P-sampler was provided by Honeybee/NASA. In MMX, materials used in the two samplers (C- and P- sampler) were carefully selected to avoid potential contamination from the design stage of the system. The individual parts of the C-sampler FM (Flight Model) were thoroughly cleaned at the curation facility in ISAS/JAXA by the full-course cleaning procedure, which is an ultrasonic cleaning with organic solvents and ultrapure water in several steps. The equivalent level of cleaning was also carried out on the P-Samper FM as well by Honeybee Robotics in the USA. Now, MMX is in the critical phase for contamination control called ATLO: Assembly, Test, and Launch Operations. During the ATLO phase, sampler FM is constantly purged with nitrogen gas and maintained at positive pressure to prevent environmental contamination. The surrounding environments of the sampler FM are also simultaneously monitored using the CK Monitoring Coupon Set, which consists of several witness materials such as a glass petri dish, sapphire glass disk, and carbon adhesive tape (Figure 1). The detailed environmental assessment of each clean room used for the assembly and test of the sampler FM has also been conducted. This assessment includes microbial analysis, which was performed for OSIRIS-REx. Regarding the sample recovery and sample curation, we have started the designing of Sample Container Disassembling Instrument for the sample recovery from the sample container and the MMX curation chamber for sample curation. The curation protocol for the Phobos returned sample has also been discussed by the MMX Sample Analysis Working Team (SAWT). The MMX curation protocol consists of three phases: (1) quick analysis, (2) pre-basic characterization, and (3) basic characterization. (1) is extraction of the sample gas from the sample container and analysis by mass spectrometry, (2) is observation in bulk level, and (3) is observation in grain level and allocation of the sample aliquots. In parallel with the curation protocol, the returned sample undergoes preliminary examination for scientific investigations to achieve science goals. In addition, the CK witness plates made of sapphire glass are on board the sampler system. The CK witness plates will be recovered from the sampler system and analyzed by SAWT for the assessment of in-flight contamination.

Haruna Sugahara↗

Structural chirality and related properties in periodic inorganic solids: review and perspectives

Abstract Chirality refers to the asymmetry of objects that cannot be superimposed on their mirror image. It is a concept that exists in various scientific fields and has profound consequences. Although these are perhaps most widely recognized within biology, chemistry, and pharmacology, recent advances in chiral phonons, topological systems, crystal enantiomorphic materials, and magneto-chiral materials have brought this topic to the forefront of condensed matter physics research. Our review discusses the symmetry requirements and the features associated with structural chirality in inorganic materials. This allows us to explore the nature of phase transitions in these systems, the coupling between order parameters, and their impact on the material’s physical properties. We highlight essential contributions to the field, particularly recent progress in the study of chiral phonons, altermagnetism, magnetochirality between others. Despite the rarity of naturally occurring inorganic chiral crystals, this review also highlights a significant knowledge gap, presenting challenges and opportunities for structural chirality mostly at the fundamental level, e.g. chiral displacive phase transitions, possibilities of tuning and switching structural chirality by external means (electric, magnetic, or strain fields), whether chirality could be an independent order parameter, and whether structural chirality could be quantified, etc. Beyond simply summarizing this field of research, this review aims to inspire further research in materials science by addressing future challenges, encouraging the exploration of chirality beyond traditional boundaries, and seeking the development of innovative materials with superior or new properties.

Bousquet, Eric (ORCID:0000000292903463)↗