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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Strong Enhancement of Nanoconfined Water Mobility by a Structure Breaking Salt

For the majority of the water present on earth, the two most important factors influencing its behavior are confinement, in either inorganic or organic matrixes, and the presence of solutes. Here, we investigate the effect of confinement in 3 nm pores on water diffusivity in aqueous solutions with archetypical solutes, a structure making (kosmotrope) NaCl and a structure breaking (chaotrope) KCl, up to 1.0 M in concentration. The water diffusivity in bulk aqueous solutions in such a concentration range is known to decrease very slightly in the presence of NaCl and increase very slightly in the presence of KCl. However, here we observe the water diffusivity in confined H 2 O–KCl increases by a factor of 2 compared to the pure water diffusivity in the same confinement. This unusually strong cumulative effect of confinement and a structure breaking additive may have profound implications for the mobility and transport of aqueous species in nature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Benzotriazole‐Based Nonfused Ring Acceptors for Efficient and Thermally Stable Organic Solar Cells

Abstract Nonfused ring acceptors (NFRAs) have attracted significant attention for nonfullerene organic solar cells (OSCs) owing to their chemical tunability and facile synthesis. In this study, a benzotriazole‐based NFRA with chlorinated end groups (Triazole‐4Cl) is developed to realize highly efficient and thermally stable NFRA‐based OSCs; an analogous NFRA with nonchlorinated end groups (Triazole‐H) is synthesized for comparison. Triazole‐4Cl film exhibits the high‐order packing structure and the near‐infrared absorption capability, which are advantageous in charge transport and light harvesting of the resulting OSCs. In particular, the strong crystalline behavior of Triazole‐4Cl results in enhanced self‐aggregation, leading to high charge carrier mobility. Owing to these properties, a PBDB‐T (polymer donor):Triazole‐4Cl OSC demonstrates a high short‐circuit current, fill factor, and power conversion efficiency (PCE = 10.46%), outperforming a PBDB‐T:Triazole‐H OSC (PCE = 7.65%). In addition, the thermal stability of a PBDB‐T:Triazole‐4Cl OSC at an elevated temperature of 120 °C exceeds that of a PBDB‐T:Triazole‐H OSC. This is mainly attributed to the significantly higher cold crystallization temperature of Triazole‐4Cl (205.9 °C). This work provides useful guidelines for the design of NFRAs to achieve efficient and thermally stable NFRA‐based OSCs.

Polymer Science↗
DOE OSTI2020

Low-temperature paddlewheel effect in glassy solid electrolytes

Glasses are promising electrolytes for use in solid-state batteries. Nevertheless, due to their amorphous structure, the mechanisms that underlie their ionic conductivity remain poorly understood. Here, ab initio molecular dynamics is used to characterize migration processes in the prototype glass, 75Li2S–25P2S5. Lithium migration occurs via a mechanism that combines concerted motion of lithium ions with large, quasi-permanent reorientations of PS4 3- anions. This latter effect, known as the ‘paddlewheel’ mechanism, is typically observed in high temperature crystalline polymorphs. In contrast to the behavior of crystalline materials, in the glass paddlewheel dynamics contribute to Lithium-ion mobility at room temperature. Paddlewheel contributions are confirmed by characterizing spatial, temporal, vibrational, and energetic correlations with Lithium motion. Furthermore, the dynamics in the glass differ from those in the stable crystalline analogue, γ-Li3PS4, where anion reorientations are negligible and ion mobility is reduced. These data imply that glasses containing complex anions, and in which covalent network formation is minimized, may exhibit paddlewheel dynamics at low temperature. Consequently, these systems may be fertile ground in the search for new solid electrolytes.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Extended Kohler's rule of magnetoresistance in TaCo 2 Te 2

TaCo 2 Te 2 is recently reported to be an air-stable, high mobility van der Waals material with probable magnetic order. Here we investigate the scaling behavior of its magnetoresistance. Here we measured both the longitudinal (p xx ) and Hall (p xy ) magnetoresistivities of TaCo 2 Te 2 crystals in magnetic fields parallel to the c axis and found that the magnetoresistance violates the Kohler's rule MR similar to f [H/p 0 ] while obeying the extended Kohler's rule MR ~ f [H/(n T p 0 )], where MR ~ [p xx (H) - p 0 ]/p 0 , H is the magnetic field, n T is a thermal factor, and p xx (H) and p 0 are the resistivities at H and zero field, respectively. Further, while deviating from those of the densities of electrons (n e ) and holes (n h ) obtained from the two-band model analysis of the magnetoconductivities, the temperature dependence of n T is close to that of the Hall carrier densities n H calculated from the slopes of p xy (H) curves at low magnetic fields, providing a different way to obtain the thermal factor in the extended Kohler's rule.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Ambipolar Transport in Polycrystalline GeSn Transistors for Complementary Metal-Oxide-Semiconductor Applications

Group-IV alloy GeSn is a promising material for electronic and optoelectronic applications due to its compatibility with both Si substrates and established Si fabrication processes. This study focuses on polycrystalline GeSn (10% Sn), which offers a cost-effective, large-area, and versatile alternative to epitaxial GeSn. We demonstrate ambipolar transport behavior in polycrystalline GeSn thin film transistors, achieving electron and hole field-effect mobilities reaching up to 0.05 cm 2 /Vs and 2.05 cm 2 /Vs, respectively. Through temperature-dependent analysis, we elucidate the underlying mechanism of this phenomenon, which we attribute to quantum tunneling between the Schottky barrier contact and the channel, as well as potential barriers between the grain boundaries of this polycrystalline film, thereby advancing the understanding of polycrystalline GeSn's electrical properties. Furthermore, this work highlights the potential of ambipolar transport as a technique to employ towards the development of GeSn complementary metal-oxide-semiconductor field-effect transistors, promising to simplify and reduce the cost of GeSn manufacturing processes for edge computing and sensing applications.

42 ENGINEERING↗
NASA NTRS1993

Irregular oscillations of the West Antarctic Ice Sheet

Model simulations of the West Antarctic ice sheet suggest that sporadic, perhaps chaotic, collapse (complete mobilization) of the ice sheet occurred throughout the past one million years. The irregular behavior is due to the slow equilibration time of the distribution of basal till, which lubricates ice-sheet motion. This nonlinear response means that predictions of future collapse of the ice sheet in response to global warming must take into account its past history, and in particular, whether the present basal till distribution predisposes the ice sheet towards rapid change.

Macayeal, Douglas R.↗
NASA NTRS2013

Structural Analysis Using Computer Based Methods

The stiffness of a flex hose that will be used in the umbilical arms of the Space Launch Systems mobile launcher needed to be determined in order to properly qualify ground umbilical plate behavior during vehicle separation post T-0. This data is also necessary to properly size and design the motors used to retract the umbilical arms. Therefore an experiment was created to determine the stiffness of the hose. Before the test apparatus for the experiment could be built, the structure had to be analyzed to ensure it would not fail under given loading conditions. The design model was imported into the analysis software and optimized to decrease runtime while still providing accurate rest~lts and allow for seamless meshing. Areas exceeding the allowable stresses in the structure were located and modified before submitting the design for fabrication. In addition, a mock up of a deep space habitat and the support frame was designed and needed to be analyzed for structural integrity under different loading conditions. The load cases were provided by the customer and were applied to the structure after optimizing the geometry. Once again, weak points in the structure were located and recommended design changes were made to the customer and the process was repeated until the load conditions were met without exceeding the allowable stresses. After the stresses met the required factors of safety the designs were released for fabrication.

Dietz, Matthew R.↗
NASA NTRS2019

Characterization and Failure Analysis of 650 V Enhancement-Mode GaN HEMT for Cryogenically-Cooled Power Electronics

In order to evaluate the feasibility of newly developed GaN devices in a cryogenically-cooled converter, this paper characterizes a 650 V enhancement-mode Gallium-Nitride high-electron-mobility transistor (GaN HEMT) at cryogenic temperatures. The characterization includes both static and dynamic behaviors. The results show that this GaN HEMT is an excellent device candidate to be applied in cryogenic-cooled applications. For example, transconductance at cryogenic temperature (93 K) is 2.5 times higher than one at room temperature (298 K), and accordingly, peak di/dt during turn-on transients at cryogenic temperature is around 2 times of that at room temperature. Moreover, the on-resistance of the channel at cryogenic temperature is only one-fifth of that at room temperature. The corresponding explanations of performance trends at cryogenic temperatures are also given from the view of semiconductor physics. In addition, several device failures were observed during the dynamic characterization of GaN HEMTs at cryogenic temperatures. The ultra-fast switching speed induced high di/dt and dv/dt at cryogenic temperatures amplifies the negative effects of parasitics inside the switching loop. Based on failure waveforms, two failure modes were classified, and detailed failure mechanisms caused by ultra-fast switching speed are given in this paper.

Static and dynamic characterization↗
NASA NTRSDate not supplied

DC Modeling of 4H-SiC JFET Gate Length Reduction at 500°C

The development of robust, high-performance integrated circuits (ICs) will enable numerous potential NASA missions of current interest, including long-duration robotic missions exploring the 460 °C surface of Venus. Currently, NASA is looking towards SiC-based devices to provide such a solution. However, the current NASA silicon carbide (SiC) JFET device with a channel length of 6μm (for recently fabricated Gen. 11 ICs) limits on mission relevant circuit capabilities [1]. In this study, we combined experiments with simulations to explore two straightforward fabrication strategies to reduce the SiC JFET channel length while maintaining turn-off behavior (Fig. 1a) needed to realize 500 °C circuit operation. The first fabrication strategy uses a shallow self-align nitrogen implant (Figure 1b) along the device's top surface but not below the gate combined with a high-dose phosphorous implant directly below the source and drain contacts. For the second fabrication strategy (Figure 1c), the high-dose phosphorous implants extended from below the contacts all the way up to the gate edges. Simulations guided gate length reductions without significant degradation in the turn-off performance. In total 12 SiC JFET variants implementing using the different fabrication strategies, gate lengths, and n-channel epilayer thickness were implemented in our simulation framework implemented in COMSOL. Since the COMSOL database does not have the material properties for 4H-SiC, these parameters were taken from the literature and implemented in COMSOL. The empirical models [2] for incomplete ionization, Auger recombination, low field mobility, and Shockley-Read-Hall recombination were implemented to account for material-specific device behavior.

4H-SiC JFET↗
DOE OSTI2020

A Monte Carlo Approach to Approximating the Effects of Pore Geometry on the Phase Behavior of Soil Freezing

Abstract Freezing in porous media is associated with a host of dynamic phenomena that stem from the presence and mobility of premelted liquid at subzero temperatures. Accurate assessments of the progressive liquid‐ice phase transition is required for predictive models of frost damage, glacier‐till coupling, and many other cold regions processes, as well as for evaluating the capacity for water storage in near‐surface extraterrestrial environments. We use a Monte Carlo approach to sample the pore space in a synthetic 3D packing of poly‐dispersed spherical particles and evaluate local geometrical constraints that allow us to assess changes in the relative proportions of pore fluid and ice. By approximating the phase boundary geometry in fine‐grained pores while considering both the curvature of the liquid‐ice interface and wetting interactions with matrix particles, our model predicts changes in phase equilibrium in granular media over a broad temperature range, where present accounting for the colligative effects of chloride and perchlorate solutes. In addition to formulating the constitutive behavior needed to better understand properties and processes in frozen soils, our results also provide insight into other aspects of phase equilibria in porous media, including the formation of methane hydrates in permafrost and marine sediments, and the partitioning between liquid water and vapor in the vadose zone.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Antimony redox processes in the environment: A critical review of associated oxidants and reductants

The environmental behavior of antimony (Sb) has recently received greater attention due to the increasing global use of Sb in a range of industrial applications. Although present at trace levels in most natural systems, elevated Sb concentrations in aquatic and terrestrial environments may result from anthropogenic activities. The mobility and toxicity of Sb largely depend on its speciation, which is dependent to a large extent on its oxidation state. To a certain extent, our understanding of the environmental behavior of Sb has been informed by studies of the environmental behavior of arsenic (As), as Sb and As have somewhat similar chemical properties. However, recently it has become evident that the speciation of Sb and As, especially in the context of redox reactions, may be fundamentally different. Therefore, it is crucial to study the biogeochemical processes impacting Sb redox transformations to understand the behavior of Sb in natural and engineered environments. Currently, there is a growing body of literature involving the speciation, mobility, toxicity, and remediation of Sb, and several reviews on these general topics are available; however, a comprehensive review focused on Sb environmental redox chemistry is lacking. Herein, we provide a review of research conducted within the past two decades examining the redox chemistry of Sb in aquatic and terrestrial environments and identifies knowledge gaps that need to be addressed to develop a better understanding of Sb biogeochemistry for improved management of Sb in natural and engineered systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Model-based analysis of solute transport and potential carbon mineralization in the active layer of a hillslope underlain by permafrost with seasonal variability and climate change

Permafrost carbon, stored in frozen organic matter across vast Arctic and sub-Arctic regions, represents a substantial and increasingly vulnerable carbon reservoir. As global temperatures rise, the accelerated thawing of permafrost releases greenhouse gases, exacerbating climate change. However, freshly thawed permafrost carbon may also experience lateral transport by groundwater flow to surface water recipients such as rivers and lakes, increasing the terrestrial-to-aquatic transfer of permafrost carbon. Mobilization and subsurface transport mechanisms are poorly understood and not accounted for in global climate models, leading to high uncertainties in the predictions of the permafrost carbon feedback. Here, we focus on a hillslope in Endalen Valley, Svalbard, as a representative example of a high-Arctic hillslope underlain by continuous permafrost. We analyze solute transport in the form of a non-reactive tracer representing dissolved organic carbon (DOC) using a physics-based numerical model with the objective to study governing cryotic and hydrodynamic transport mechanisms relevant for warming permafrost regions. We first analyze transport times for DOC pools at different locations within the active layer under present-day climatic conditions and proceed to study susceptibility for deeper ancient carbon release in the upper permafrost due to thaw under different warming scenarios. Results suggest that DOC in the active layer near the permafrost table experiences rapid lateral transport upon thaw due to saturated conditions and lateral flow, while DOC close to the ground surface experiences slower transport due to flow in unsaturated soil. Deeper permafrost carbon release exhibits vastly different transport behaviors depending on warming and thaw rate. Gradual warming leads to small fractions of DOC being mobilized every year, while the majority moves vertically through percolation and cryosuction. Abrupt thaw resulting from a single very warm year leads to faster lateral transport times, similar to active layer DOC released in saturated conditions. Lastly, we analyze the potential susceptibility of DOC to mineralization to CO 2 prior to export due to soil moisture and temperature conditions. We find that high liquid saturation during transport coincides with very low mineralization rates and potentially inhibits mineralization into CO 2 before export. Overall, the results highlight the importance of subsurface hydrologic and thermal conditions for the retention and lateral export of permafrost carbon by subsurface flow.

Hamm, Alexandra [Stockholm Univ. (Sweden)] (ORCID:↗
DOE OSTI2025

Incorporating Elevation in Traffic-Vehicle CO-Simulation: Issues, Impacts, and Solutions

Traffic-vehicle co-simulation couples microscopic traffic simulation with full-body vehicle dynamics to assess system-level impacts on mobility, energy, and safety with greater realism. Incorporating elevation is critical for accurately modeling vehicle behavior and energy use, especially for gradient-sensitive vehicles such as electric and heavy-duty trucks. However, raw elevation data often contain noise, discontinuities, and inconsistencies. While such issues may be negligible in traditional traffic simulations, they significantly affect traffic-vehicle co-simulations where vehicle dynamics are sensitive to road grade variations. This paper investigates the impact of unprocessed elevation data on vehicle behavior and energy consumption using a 42-mile simulation along Interstate 81. We propose an elevation processing workflow that can mitigate the effects stem from elevation data issues, improving the realism and stability of traffic-vehicle co-simulation. Results show that the method effectively removes noise and abrupt elevation transitions while preserving roadway geometry.

Xu, Guanhao [ORNL] (ORCID:0000000214326357)↗
NASA NTRS1989

Divergent plate boundaries and crustal spreading on Venus: Evidence from Aphrodite Terra

The modes of lithospheric heat transfer and the tectonic styles may differ between Earth and Venus, depending on how the high surface temperature (700 K = 430 C), dense and opaque atmosphere (approx. 10 MPa = 100 bars), lack of water oceans, and the other known ways in which Venus differs from Earth, influence basic lithospheric processes, thermal gradient, upper mantle temperature, thermal and chemical evolution, and convection. A fundamental question is whether the lithosphere of Venus is horizontally stable, like the other terrestrial planets, or is mobile like that on Earth. The variety of characteristics, their integrated relationships, and their predictable behavior throughout Western Aphrodite Terra are similar to those features known to occur in association with the terrestrial seafloor at spreading centers and divergent plate boundaries. It is concluded that Western Aphrodite Terra represents the site of crustal spreading centers and divergent plate boundaries. The extent of similar characteristics and processes elsewhere on Venus outside of the 13,000 km long Western and Eastern Aphrodite Terra rise is unknown at the present, but their presence in other areas of the equatorial highlands, suggested from recent analysis, may be tested with forthcoming Magellan data.

Crumpler, L. S.↗
NASA NTRS2019

SSIM: NASA Mars rover robotics flight software simulation

The focus of SSim on MSL was the robotic flight software, including rover mobility and navigation, robotic arm manipulation, and sample acquisition, processing, and delivery. It can execute behaviors in simulation a thousand times faster than they execute in real time on the flight compute element. SSim is used by rover drivers to develop and validate command sequences throughout the planning cycle. SSim has been used to plan all of the Curiosity robotic operations since landing and is expected to continue to be used for the remaining life of the rover.

Leger, Chris↗
DOE OSTI2023

Nonadditive Interactions Unlock Small-Particle Mobility in Binary Colloidal Monolayers

We examine the organization and dynamics of binary colloidal monolayers composed of micron-scale silica particles interspersed with smaller-diameter silica particles that serve as minority component impurities. These binary monolayers are prepared at the surface of ionic liquid droplets over a range of size ratios (σ = 0.16–0.66) and are studied with low-dose minimally perturbative scanning electron microscopy (SEM). The high resolution of SEM imaging provides direct tracking of all particle coordinates over time, enabling a complete description of the microscopic state. In these bidisperse size mixtures, particle interactions are nonadditive because interfacial pinning to the droplet surface causes the equators of differently sized particles to lie in separate planes. By varying the size ratio, we control the extent of nonadditivity in order to achieve phase behavior inaccessible to additive 2D systems. Across the range of size ratios, we tune the system from a mobile small-particle phase (σ < 0.24) to an interstitial solid (0.24 < σ < 0.33) and furthermore to a disordered glass (σ > 0.33). These distinct phase regimes are classified through measurements of hexagonal ordering of the large-particle host lattice and the lattice’s capacity for small-particle transport. Altogether, we explain these structural and dynamic trends by considering the combined influence of interparticle interactions and the colloidal packing geometry. Our measurements are reproduced in molecular dynamics simulations of 2D nonadditive disks, suggesting an efficient method for describing confined systems with reduced dimensionality representations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1996

Evaluation of an Anthropometric Human Body Model for Simulated EVA Task Assessment

One of the more mission-critical tasks performed in space is extravehicular activity (EVA) which requires the astronaut to be external to the station or spacecraft, and subsequently at risk from the many threats posed by space. These threats include, but are not limited to: no significant atmosphere, harmful electromagnetic radiation, micrometeoroids, and space debris. To protect the astronaut from this environment, a special EVA suit is worn which is designed to maintain a sustainable atmosphere (at 1/3 atmosphere) and provide protection against the hazards of space. While the EVA suit serves these functions well, it does impose limitations on the astronaut as a consequence of the safety it provides. Since the astronaut is in a virtual vacuum, any atmospheric pressure inside the suit serves to pressurize the suit and restricts mobility of flexible joints (such as fabric). Although some of the EVA suit joints are fixed, rotary-style joints, most of the mobility is achieved by the simple flexibility of the fabric. There are multiple layers of fabric, each of which serves a special purpose in the safety of the astronaut. These multiple layers add to the restriction of motion the astronaut experiences in the space environment. Ground-based testing is implemented to evaluate the capability of EVA-suited astronauts to perform the various tasks in space. In addition to the restriction of motion imposed by the EVA suit, most EVA activity is performed in a micro-gravity (weight less) environment. To simulate weightlessness EVA-suited testing is performed in a neutral buoyancy simulator (NBS). The NBS is composed of a large container of water (pool) in which a weightless environment can be simulated. A subject is normally buoyant in the pressurized suit; however he/she can be made neutrally buoyant with the addition of weights. In addition, most objects the astronaut must interface with in the NBS sink in water and flotation must be added to render them "weightless". The implementation of NBS testing has proven to invaluable in the assessment of EVA activities performed with the Orbiter and is considered to be a key step in the construction of the International Space Station (ISS). While the NBS testing is extremely valuable, it does require considerable overhead to maintain and operate. It has been estimated that the cost of utilizing the facility is approximately $10,000 per day. Therefore it is important to maximize the utility of NBS testing for optimal results. One important aspect to consider in any human/worksite interface is the considerable wealth of anthropometric and ergonomic data available. A subset of this information specific to EVA activity is available in NASA standard 3000. The difficulty in implementing this data is that most of the anthropometric information is represented in a two-dimensional format. This poses some limitations in complete evaluation of the astronaut's capabilities in a three-dimensional environment. Advances in computer hardware and software have provided for three-dimensional design and implementation of hardware with the advance of computer aided design (CAD) software. There are a number of CAD products available and most companies and agencies have adopted CAD as a fundamental aspect of the design process. Another factor which supports the use of CAD is the implementation of computer aided manufacturing (CAM) software and hardware which provides for rapid prototyping and decreases the time to product in the design process. It is probable that most hardware to be accessed by astronauts in EVA or IVA (intravehicular activity) has been designed by a CAD system, and is therefore represented in three-dimensional space for evaluation. Because of the implementation of CAD systems and the movement towards early prototyping, a need has arisen in industry and government for tools which facilitate the evaluation of ergonomic consideration in a three-dimensional environment where the hardware has been designed by the CAD tools. One such product is Jack which was developed by the University of Pennsylvania with funding from several government agencies, including NASA. While the primary purpose of Jack is to model human figures in a ground-based (gravity) environment, it can be utilized to evaluate EVA-suited activities as well. The effects of simulated gravity must be turned off by turning off "behaviors". Although Jack provides human figures for manipulation, the primary instrument to be evaluated for EVA mobility is the work envelope provided by the EVA suit. An EVA Jack suit model has been developed by NASA-JSC and was utilized in this study. This suit model provided a more restrictive motion environment as expected for an EVA suited subject. As part of this study, the anthropometric dimensions for a 50th percentile male were compared with basic anthropometric data and were found to be representative for the population group expected in the NASA flight program. The joints for the suit were created in a manner which provided consistent performance with EVA reach envelopes published in NASA standard #3000.

Etter, Brad↗