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At least 415 records · Page 23

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DOE OSTI2024

Accelerating Application Bulk Synchronous Writes in HPC Environments

High-bandwidth storage tiers are becoming more common for their capability to absorb high-rate, bursty I/Os. Notably, the designs of these fast storage tiers differ from system to system. The variation of these layers and non-uniform methods of access can pose chal- lenges for applications seeking to run at multiple HPC facilities. Therefore, in this work, we present Spectral, a rapid-output ab- straction library to accelerate application, bulk-synchronous writes on HPC systems. We design Spectral to enable applications to use high-bandwidth storage, such as node-local storage and dis- tributed, write-caches (e.g., burst buffers) transparently without requiring modifications to the application or file system source code. The key idea is to allow applications to spend most of the time performing productive work and to not require any source code changes for maximum portability on different HPC archi- tectures. Spectral internally re-routes write-only files through available, high-performance I/O resources before ultimately mi- grating them to the shared global parallel file system. For instance, on Summit, Spectral transparently places application outputs on node-local storage and then utilizes asynchronous migration to the center-wide GPFS file system. We evaluate Spectral on the Summit HPC system (1024 nodes) using the IOR benchmark and real scientific applications. Spectral shows linear performance scaling, improving application write performance by over an order of magnitude when compared to GPFS.

Khan, Awais↗

DOE OSTI2024

Influence of the Dielectric Constant on the Ionic Current Rectification of Bipolar Nanopores

In this paper, we investigate how the dielectric constant, ϵ, of an electrolyte solvent influences the current rectification characteristics of bipolar nanopores. It is well recognized that bipolar nanopores with two oppositely charged regions rectify current when exposed to an alternating electric potential difference. Here, we consider dilute electrolytes with NaCl only and with a mixture of NaCl and charged nanoparticles. These systems are studied using two levels of description, all-atom explicit water molecular dynamics (MD) simulations and coarse-grained implicit solvent MD simulations. The charge density and electric potential profiles and current-voltage relationship predicted by the implicit solvent simulations with ϵ = 11.3 show good agreement with the predictions from the explicit water simulations. Under nonequilibrium conditions, the predictions of the implicit solvent simulations with a dielectric constant closer to the one of bulk water are significantly different from the predictions obtained with the explicit water model. Further, these findings are closely aligned with experimental data on the dielectric constant of water when confined to nanometric spaces, which suggests that ϵ decreases significantly compared to its value in the bulk. Moreover, the largest electric current rectification is observed in systems containing nanoparticles when ϵ = 78.8. Using enhanced sampling, we have shown that this larger rectification arises from the presence of a significantly deeper minimum in the free energy of the system with a larger ϵ, and when a negative voltage bias is applied. Since implicit solvent models and mean-field continuum theories are often used to design Janus membranes based on bipolar nanopores, this work highlights the importance of properly accounting for the effects of confinement on the dielectric constant of the electrolyte solvent. The results presented here indicate that the dielectric constant in implicit solvent simulations may be used as an adjustable parameter to approximately account for the effects of nanometric confinement on aqueous electrolyte solvents.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2009

A Model of Thermal Conductivity for Planetary Soils: Theory for Cemented Soils - 2

A numerical model of heat conduction through particulate media made of spherical grains cemented by various bonding agents is presented. The pore-filling gas conductivity, volume fraction, and thermal conductivity of the cementing phase are tunable parameters. Cement fractions <0.001-0.01% in volume have small effects on the soil bulk thermal conductivity. A significant conductivity increase (factor 3-8) is observed for bond fractions of 0.01 to 1% in volume. In the 1 to 15% bond fraction domain, the conductivity increases continuously but less intensely (25-100% conductivity increase compared to a 1% bond system). Beyond 15% of cements, the conductivity increases vigorously and the bulk conductivity rapidly approaches that of bedrock. The composition of the cements (i.e. conductivity) has little influence on the bulk thermal inertia of the soil, especially if the volume of bond <10%. These results indicate that temperature measurements are sufficient to detect cemented soils and quantify the amount of cementing phase, but the mineralogical nature of the bonds and the typical grain size are unlikely to be determined from orbit. On Mars, a widespread surface unit characterized by a medium albedo (0.19-0.26) and medium/high thermal inertia (200-600 J s(0.5)/sq m/K) has long been hypothesized to be associated with a duricrust. The fraction of cement required to fit the thermal data is less than approx.1-5% by volume. This small amount of material is consistent with orbital observations, confirming that soil cementation is an important factor controlling the thermal inertia of the Martian surface

Piqueux, S.↗

NASA NTRS2019

Integrated Refrigeration and Storage of LNG for Compositional Stability

Growing interest in liquefied natural gas (LNG) as a rocket fuel necessitates a greater technical understanding of the compositional changes due to preferential boil-off (or weathering) that occurs during long duration storage. The purity of methane in LNG can range from 90 to 98%, and is subject to preferential boil-off due to its low boiling point compared to other constituents despite the use of high-performance thermal insulation systems. Active heat extraction (i.e. refrigeration) is required to completely eliminate weathering. For future operational safety and reliability, and to better understand the quality and efficiency of the LNG as a cryofuel, a 400-liter Cryostat vessel was designed and constructed to measure the composition and temperatures of the LNG at a number of different liquid levels over long durations. The vessel is the centerpiece of a custom-designed lab-scale integrated refrigeration and storage (IRaS) system employing a pulse tube cryocooler capable of roughly 50 W of lift at 100 K. Instrumentation includes ten temperature sensors mounted on a vertical rake and five liquid sample tubes corresponding to five liquid levels. Two modes of operation are studied. The first is without refrigeration in order to determine a baseline in the change in composition, and to study stratification of the LNG. The second is performed with the cryocooler active to determine the operational parameters of the IRaS system for eliminating the weathering as well as stratification effects in the bulk liquid. The apparatus design and test method, as well as preliminary test results are presented in this paper. As a bonus in cost-saving and operational efficiency, the capability of the IRaS system to provide zero-loss capabilities such as zero boil-off (ZBO) keeping of the LNG and zero-loss filling/transfer operations are also discussed.

Rose, Laura P.↗

NASA NTRS2019

Integrated Refrigeration and Storage of LNG for Compositional Stability

Rose, L.↗

NASA NTRS1972

Dynamic measurement of bulk modulus of dielectric materials using a microwave phase shift technique

A microwave Doppler shift technique was developed for measuring the dynamic bulk modulus of dielectric materials such as solid propellants. The system has a demonstrated time resolution on the order of milliseconds and a theoretical spatial resolution of a few microns. Accuracy of the technique is dependent on an accurate knowledge of the wavelength of the microwave in the sample being tested. Such measurement techniques are discussed. Preliminary tests with two solid propellants, one non-aluminized and one containing 16% aluminum, yielded reasonable, reproducible results. It was concluded that with refinements the technique holds promise as a practical means for obtaining accurate dynamic bulk modulus data over a variety of transient conditions.

Barker, B. J.↗

NASA NTRS1993

Fe-60 in eucrites

Additional evidence for the existence in the early solar system of live Fe-60 has been found in the basaltic achondrite Juvinas. The relative abundance of Fe-60/Fe-56 of about 4 x 10 exp -10 at the time of meteorite solidification is one order of magnitude lower than that previously observed for the eucrite Chervony Kut. This difference corresponds to an about 4.7 Ma time interval between closure of the Fe-60-Ni-60 isotopic system in the two meteorites. The factor two higher initial Ni-60/Ni-58 ratio in Juvinas is consistent with this time difference and a common bulk Fe/Ni ratio in the two meteorites. Using the Fe-60-Ni-60 isotope system as a chronometer various models for the evolution of the eucrite parent body of different degrees of complexity are discussed. Regardless of the detailed differences between these models a short time interval of only a few million years between planetary differentiation and basaltic crust formation is indicated.

Shukolyukov, A.↗

NASA NTRSDate not supplied

Energy Efficient Large-Scale Storage of Liquid Hydrogen

The world’s largest liquid hydrogen storage tanks were constructed in the mid-1960sat the NASA Kennedy Space Center. These two vacuum-jacketed, perlite powder insulated tanks, still in service today, have 3,200 m3 of useable capacity. In 2018, construction began on an additional storage tank at Launch Complex 39B. This new tank will give an additional storage capacity of 4,700 m3 for a total on-site storage capacity of roughly 8,000 m3. NASA’s new Space Launch System (SLS) heavy lift rocket for the Artemis program includes an LH2tank that makes up the bulk of the vehicle, holding 2,033 m3 of LH2 in its 8.4-m diameter by40-m height. The new storage tank includes two new energy-efficient technologies: a glass bubbles insulation system in lieu of perlite, and an Integrated Refrigeration and Storage (IRAS)heat exchanger for controlled storage capability. The evacuated glass bubbles insulation system is based on the prior two decades of research to prove the thermal performance benefits as well as the mechanical and vacuum integrity; and has been shown to reduce LH2 boiloff by 46%versus perlite in field demonstrations. The IRAS capability is centered on a heat exchanger system that is built within the inner vessel to reject heat from the bulk liquid through the future implementation of an external helium refrigerator. Controlled storage via IRAS, when fully implemented, will provide full control of the ullage pressure, zero boiloff, and even production of densified LH2 pending its adoption on future launch vehicles. The design basics are described along with main construction and testing processes involved. The key features of the new technology items and implications on simplified operations and long-term energy savings are addressed

cryogenics↗

DOE OSTI2025

Lyotropic Liquid Crystal Mediated Assembly of Donor Polymers Enhances Efficiency and Stability of Blade-Coated Organic Solar Cells

Conjugated polymers can undergo complex, concentration-dependent self-assembly during solution processing, yet little is known about its impact on film morphology and device performance of organic solar cells. Herein, lyotropic liquid crystal (LLC) mediated assembly across multiple conjugated polymers is reported, which generally gives rise to improved device performance of blade-coated non-fullerene bulk heterojunction solar cells. Using D18 as a model system, the formation mechanism of LLC is unveiled employing solution X-ray scattering and microscopic imaging tools: D18 first aggregates into semicrystalline nanofibers, then assemble into achiral nematic LLC which goes through symmetry breaking to yield a chiral twist-bent LLC. The assembly pathway is driven by increasing solution concentration – a common driving force during evaporative assembly relevant to scalable manufacturing. This assembly pathway can be largely modulated by coating regimes to give 1) lyotropic liquid crystalline assembly in the evaporation regime and 2) random fiber aggregation pathway in the Landau–Levich regime. The chiral liquid crystalline assembly pathway resulted in films with crystallinity 2.63 times that of films from the random fiber aggregation pathway, significantly enhancing the T80 lifetime by 50-fold. The generality of LLC-mediated assembly and enhanced device performance is further validated using polythiophene and quinoxaline-based donor polymers.

14 SOLAR ENERGY↗

DOE OSTI2025

Millisecond lifetimes and coherence times in 2D transmon qubits

Materials improvement is a powerful approach to reducing loss and decoherence in superconducting qubits, because such improvements can be readily translated to large-scale processors. Recent work improved transmon coherence by using tantalum as a base layer and sapphire as a substrate. The losses in these devices are dominated by two-level systems with comparable contributions from both the surface and bulk dielectrics, indicating that both must be tackled to achieve substantial improvements in the state of the art. Here we show that replacing the substrate with high-resistivity silicon markedly decreases the bulk substrate loss, enabling 2D transmons with time-averaged quality factors (Q avg ) of 9.7 × 10 6 across 45 qubits. For our best qubit, we achieve a Q avg of 1.5 × 10 7 , reaching a maximum Q of 2.5 × 10 7 , corresponding to a lifetime (T 1 ) up to 1.68 ms. This low loss also allows us to observe decoherence effects related to the Josephson junction, and we use an improved, low-contamination junction deposition to achieve Hahn echo coherence times (T 2E ) exceeding T 1 . We achieve these materials improvements without any modifications to the qubit architecture, allowing us to readily incorporate standard quantum control gates. Here, we demonstrate single-qubit gates with 99.994% fidelity. The tantalum-on-silicon platform comprises a simple material stack that can potentially be fabricated at the wafer scale and therefore can be readily translated to large-scale quantum processors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

Barrierless nucleation in glassy precursors drives zeolite formation

Zeolites are crystalline, microporous silicates widely used in catalysis and separations, yet the molecular mechanisms of their formation remain unresolved. Experiments indicate that hydrothermal synthesis of silica zeolites from clear solution proceeds through amorphous nanoaggregates that gradually develop zeolite order in an apparently continuous amorphous to crystal transformation. Here, we combine molecular simulations with advanced algorithms that identify zeolite order and computer vision to elucidate the pathway from clear solution to zeolite nanocrystal. We show that at conditions of hydrothermal synthesis of silica zeolites, the transformation of precursor aggregate into zeolite is not limited by nucleation barriers but by the slow dynamics of reorganization in the glassy precursor matrix. The negligible nucleation barriers result in spinodal-like crystallization that leads to a gradual formation of a mosaic of small crystallites that explain the seemingly continuous character of zeolite crystallization and the catalytic activity of X-ray amorphous, protozeolites and embryonic zeolites. We find that zeolite-like porosity and short-range order emerge early within glassy precursors, well before crystallinity is detected in transmission electron microscopy (TEM) images or X-ray diffraction. The nanoaggregate’s temperature-size phase diagram reveals a convergence of the zeolite–amorphous equilibrium and maximum crystallization rate at ~3 nm diameter nanoparticle diameters and ~200 °C. This convergence signals the termination of the first-order amorphous-to-zeolite transition. Our results provide a unifying framework for understanding nucleation of silica zeolites from solution and suggest that barrierless nucleation may govern the formation of other nanoparticle systems, including minerals and oxides synthesized far below their bulk melting points.

36 MATERIALS SCIENCE↗

NASA NTRS1985

Vapor Growth of Alloy-Type Semiconductor Crystals

The present effort is part of a continuing research program directed towards the investigation of basic vapor transport phenomena and of crystal growth properties of electronic materials. The primary purpose of ground-based studies is the development and definition of optimum experimental parameters for flight experiments. The ground-based effort includes the investigation of gravity-driven convection effects on mass transport rates and on crystal morphology for different orientations of the density gradient with respect to the gravity vector, and as a function of pressure and of temperature. In addition to the experimental tasks, theoretical efforts involve the quantitative thermodynamic analysis of the systems under investigation, the computation of fluid dynamic parameters, and the consideration of other possible effects on fluid flow under vertical, stabilizing and microgravity conditions. The specific experiments to be performed in a microgravity environment include the investigation of vapor transport and crystal growth phenomena of the GeSe-Xenon system and of the mass flux and growth of bulk and layer-type crystals of Hg sub (1-x) Cd sub x Te using HgI as a transport agent.

Wiedemeier, H.↗

NASA NTRS1985

Preliminary study: Moisture-polymer interaction. Stuby objectives

The problems associated with mathematically modeling water-module interaction phenomena, including sorption and desorption, diffusion, and permeation are discussed. With reliable analytical models, an extensive materials data base, and solar radiation surface meteorological observations (SOLMET) weather data, predicting module lifetimes in realistic environments can become a practical reality. The status of the present techniques of simulating the various transport mechanisms was reported. The Dent model (a modified Brunauer-Emmet-Teller) approach represented polyvinyl butyral (PVB) sorption data. A 100-layer material model and Fick's diffusion model gave diffusivity values exhibiting adequate agreement with those measured for PVB. Diffusivity of PVB is concentration dependent, decreasing as the water content in PVB increases. The temperature dependence of diffusion in PVB is well modeled by the Arrhenius rate equation. Equilibrium conductivity and leakage current data are well represented by Hearle's model for bulk ionic conductivity. A nodal network analysis using the Systems Improved Numerical Differencing Analyzer (SINDA) Thermal Analyzer gave reasonable correlation with measurable data. It is concluded that realistic lifetime predictions seem to be feasible.

Wen, L. C.↗

NASA NTRS1991

A collection of diverse micrometeorites recovered from 100 tonnes of Antarctic blue ice

A new type of meteoritic material, intermediate in size between meteorites and interplanetary dust particles (IDPs), is described. Melting and filtering of about 100 tons of blue ice near Cap Prudhomme, Antarctica, yielded 7500 or more irregular, friable particles and about 1500 melted spherules, about 100 microns in size, both showing a 'chondritic' composition suggestive of an extraterrestrial origin. Analyzed irregular particles appear to be unmelted and have similarities with the fine-grained matrix of primitive carbonaceous chondrites, but are extremely diverse in composition. Isotopic analysis of trapped neon confirms an extraterrestrial origin for 16 of 47 irregular particles and 2 of 19 spherules studied and strongly suggests that they were exposed in space as micrometeoroids. These large Antarctic micrometeorites constitute a new family, or at least a new population, of solar system objects, in a mass range corresponding to the bulk of extraterrestrial material accreted by the earth today.

Maurette, M.↗

NASA NTRS1993

Carbonate compositions in CM and CI chondrites, and implications for aqueous alteration

Carbonate minerals in fourteen CM chondrites and two CI chondrites have been analyzed by electron microprobe to provide a better understanding of the aqueous processes that affected carbonaceous chondrite parent bodies. Calcites in CM chondrites and dolomites and magnesites in CI chondrites display the compositions expected of stable phases formed at low temperatures. Dolomites in CM chondrites, identified here for the first time in five members of the group, have small amounts of excess Ca which may reflect metastable growth. The distribution of Fe between dolomite and coexisting serpentine differs in the two chondrite groups. If the distributions reflect an approach to chemical equilibrium, then the difference implies higher alteration temperatures for the CI group than the CM group in agreement with the results of previously published oxygen isotope thermometry and mineral solubility modeling of the alteration process. Dolomite Fe contents are relatively uniform in the two chondrite groups. Dolomite Mn contents, by contrast, vary widely. The variations may reflect transport-controlled coprecipitation of Mn resulting from a heterogeneous distribution of the element in the anhydrous precursor material. If this interpretation is correct, then the altering fluids were essentially immobile white hydration reactions proceeded on the meteorite parent bodies. The near closed-system character of the alteration process, long known from bulk chemical analyses of the meteorites, is a direct consequence of the limited mobility of dissolved species.

Johnson, Craig A.↗

NASA NTRS1995

Aspects of passive magnetic levitation based on high-T(sub c) superconducting YBCO thin films

Passive magnetic levitation systems reported in the past were mostly confined to bulk superconducting materials. Here we present fundamental studies on magnetic levitation employing cylindrical permanent magnets floating above high-T(sub c) superconducting YBCO thin films (thickness about 0.3 mu m). Experiments included free floating rotating magnets as well as well-established flexible beam methods. By means of the latter, we investigated levitation and drag force hysteresis as well as magnetic stiffness properties of the superconductor-magnet arrangement. In the case of vertical motion of the magnet, characteristic high symmetry of repulsive (approaching) and attractive (withdrawing) branches of the pronounced force-displacement hysteresis could be detected. Achievable force levels were low as expected but sufficient for levitation of permanent magnets. With regard to magnetic stiffness, thin films proved to show stiffness-force ratios about one order of magnitude higher than bulk materials. Phenomenological models support the measurements. Regarding the magnetic hysteresis of the superconductor, the Irie-Yamafuji model was used for solving the equation of force balance in cylindrical coordinates allowing for a macroscopic description of the superconductor magnetization. This procedure provided good agreement with experimental levitation force and stiffness data during vertical motion. For the case of (lateral) drag force basic qualitative characteristics could be recovered, too. It is shown that models, based on simple asymmetric magnetization of the superconductor, describe well asymptotic transition of drag forces after the change of the magnet motion direction. Virgin curves (starting from equilibrium, i.e. symmetric magnetization) are approximated by a linear approach already reported in literature only. This paper shows that basic properties of superconducting thin films allow for their application to magnetic levitation or - without need of levitation forces, e.g. microgravity - magnetic damping devices.

Schoenhuber, P.↗

NASA NTRS1993

Surface Segregation in Cu-Ni Alloys

Monte Carlo simulation is used to calculate the composition profiles of surface segregation of Cu-Ni alloys. The method of Bozzolo, Ferrante, and Smith is used to compute the energetics of these systems as a function of temperature, crystal face, and bulk concentration. The predictions are compared with other theoretical and experimental results.

Good, Brian↗

NASA NTRS2005

Synthesis, Structure, and Transport Properties of YbSb2Te4 and YbSb4Te7 for Thermoelectric Applications

Very little work has been done in the Yb-Sb-Te system of compounds. Exploratory synthesis of various compounds in the system has been performed in the search for new thermoelectric materials. The compounds in the system were examined due to the fact that the system is known to act as a concentrated Kondo system, a heavy fermion. Heavy fermions are known to possess high densities of state which are useful in thermoelectric applications. TWO compounds in the system, YbSb2Te4 and YbSb4Te7, have been successfully synthesized in bulk by two methods: low temperature mechanical alloying and high temperature direct synthesis. The Hall mobility, Seebeck coefficient, electrical resistivity, and thermal conductivity were measured on both the unannealed and annealed compounds up to 550 C to determine the dimensionless thermoelectric figure of merit, ZT. The results indicate that both compounds make promising candidates for use in thermoelectric devices.

Guloy, Amado S.↗