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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

A scalable and tunable thermoreversible polymer for 3D human pluripotent stem cell biomanufacturing

Human pluripotent stem cells (hPSCs) are an exciting and promising source to enable cell replacement therapies for a variety of unmet medical needs. Though hPSCs can be successfully derived into numerous physiologically relevant cell types, effective translation to the clinic is limited by challenges in scalable production of high-quality cells, cellular immaturity following the differentiation process, and the use of animal-derived components in culture. To address these limitations, we have developed a fully defined, reproducible, and tunable thermoreversible polymer for high-quality, scalable 3D cell production. Our reproducible synthesis method enables precise control of gelation temperature (24°C–32°C), hydrogel stiffness (100–4000 Pa), and the prevention of any unintended covalent crosslinking. After material optimization, we demonstrated hPSC expansion, pluripotency maintenance, and differentiation into numerous lineages within the hydrogel. Overall, this 3D thermoreversible hydrogel platform has broad applications in scalable, high-quality cell production to overcome the biomanufacturing burden of stem cell therapy.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Transient fuel performance analysis for the preliminary fuel concept of general atomics fast modular reactor

This study investigates the transient fuel performance of General Atomics Fast Modular Reactor (GA-FMR) during accident scenarios, focusing on the behavior of its innovative fuel system that combines high-assay low enriched uranium dioxide (HALEUO2) fuel with SiGA® ceramic matrix composite silicon carbide cladding. The preliminary fuel design’s response was analyzed during reactivity-initiated accidents (RIA) and loss of coolant accidents (LOCA) using BISON fuel performance analysis code, which included both the diffusion enhanced and BISON-FASTGRASS coupled UO 2 models. The RIA analysis demonstrated that effective reactivity control reduced fuel temperature, though with transient fission gas release resulting in additional tensile stress state on the cladding. LOCA simulations revealed differing predictions between the two models: the BISON UO 2 model showed more transient fission gas release but minimal pellet expansion, while the BISON-FASTGRASS UO 2 model predicted less pronounced fission gas release but more fuel swelling and thermal expansion, potentially leading to pellet-cladding mechanical interaction. Here, these findings highlight critical areas for fuel design optimization and identify knowledge gaps requiring further experimental and computational investigation to advance GA-FMR fuel development.

Lee, Soon K. [Argonne National Laboratory (ANL), A↗
DOE OSTI2022

Dynamic heterogeneity and nanophase separation in rubber-toughened amine-cured highly cross-linked polymer networks

Solid state nuclear magnetic resonance (NMR) spectroscopy and small-to wide-angle X-ray scattering (SWAXS) methods were used to characterize the heterogeneous dynamics and polymer domain structure in rubber modified thermoset materials containing the diglycidyl ether of bisphenol A (DGEBA) epoxy resin and a mixture of Jeffamine reactive rubber and 4,4-diaminodicyclohexylmethane (PACM) amine curing agent. The polymer chain dynamics and morphologies as a function of the PACM/Jeffamine ratio were determined. Using dipolar-filtered NMR experiments, the resulting networks are shown to be composed of mobile and rigid regions that are separated on nanometer length scales, along with a dynamically immobilized interface region. Proton NMR spin diffusion experiments measured the dimensions of the mobile phase to range between 9 and 66 nm and varied with the relative PACM concentration. Solid state 13 C magic angle spinning NMR experiments show that the highly mobile phase is composed entirely of the dynamically flexible polyether chains of the Jeffamine rubber, the immobilized interface region is a mixture of DGEBA, PACM, and the Jeffamine rubber, with the PACM cross-linked to DGEBA predominantly residing in the rigid phase. The SWAXS results showed compositional nanophase separation spanning the 11–77 nm range. These measurements of the nanoscale compositional and dynamic heterogeneity provide molecular level insight into the very broad and controllable glass transition temperature distributions observed for these highly cross-linked polymer networks.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Surface Lattice-Embedded Pt Single-Atom Catalyst on Ceria-Zirconia with Superior Catalytic Performance for Propane Oxidation

Tuning the metal–support interaction and coordination environment of single-atom catalysts can help achieve satisfactory catalytic performance for targeted reactions. Herein, via the facile control of calcination temperatures for Pt catalysts on pre-stabilized Ce 0.9 Zr 0.1 O 2 (CZO) support, Pt single atoms (Pt 1 ) with different strengths of Pt–CeO 2 interaction and coordination environment were successfully constructed. With the increase in calcination temperature from 350 to 750 °C, a stronger Pt–CeO 2 interaction and higher Pt-O-Ce coordination number were achieved due to the reaction between PtO x and surface Ce 3+ species as well as the migration of Pt 1 into the surface lattice of CZO. The Pt/CZO catalyst calcined at 750 °C (Pt/CZO-750) exhibited a surprisingly higher C 3 H 8 oxidation activity than that calcined at 550 °C (Pt/CZO-550). Here, through systematic characterizations and reaction mechanism study, it was revealed that the higher concentration of surface Ce 3+ species/oxygen vacancies and the stronger Pt–CeO 2 interaction on Pt/CZO-750 could better facilitate the activation of oxygen to oxidize C 3 H 8 into reactive carbonate/carboxyl species and further promote the transformation of these intermediates into gaseous CO 2 . The Pt/CZO-750 catalyst can be a potential candidate for the catalytic removal of hydrocarbons from vehicle exhaust.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Spin and Orbital Effects on Asymmetric Exchange Interaction in Polar Magnets: M(IO 3 ) 2 (M = Cu and Mn)

We report magnetic polar materials feature an astonishing range of physical properties, such as magnetoelectric coupling, chiral spin textures, and related new spin topology physics. This is primarily attributable to their lack of space inversion symmetry in conjunction with unpaired electrons, potentially facilitating an asymmetric Dzyaloshinskii–Moriya (DM) exchange interaction supported by spin–orbital and electron–lattice coupling. However, engineering the appropriate ensemble of coupled degrees of freedom necessary for enhanced DM exchange has remained elusive for polar magnets. Here, we study how spin and orbital components influence the capability of promoting the magnetic interaction by studying two magnetic polar materials, α-Cu(IO 3 ) 2 ( 2 D) and Mn(IO 3 ) 2 ( 6 S), and connecting their electronic and magnetic properties with their structures. The chemically controlled low-temperature synthesis of these complexes resulted in pure polycrystalline samples, providing a viable pathway to prepare bulk forms of transition-metal iodates. Rietveld refinements of the powder synchrotron X-ray diffraction data reveal that these materials exhibit different crystal structures but crystallize in the same polar and chiral P2 1 space group, giving rise to an electric polarization along the b-axis direction. The presence and absence of an evident phase transition to a possible topologically distinct state observed in α-Cu(IO 3 ) 2 and Mn(IO 3 ) 2 , respectively, imply the important role of spin–orbit coupling. Neutron diffraction experiments reveal helpful insights into the magnetic ground state of these materials. While the long-wavelength incommensurability of α-Cu(IO 3 ) 2 is in harmony with sizable asymmetric DM interaction and low dimensionality of the electronic structure, the commensurate stripe AFM ground state of Mn(IO 3 ) 2 is attributed to negligible DM exchange and isotropic orbital overlapping. The work demonstrates connections between combined spin and orbital effects, magnetic coupling dimensionality, and DM exchange, providing a worthwhile approach for tuning asymmetric interaction, which promotes evolution of topologically distinct spin phases.

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

Sn-InAs Nanowire Shadow-Defined Josephson Junctions

Hybrid superconductor–semiconductor platforms are foundational to advancing quantum information technologies, motivating the integration of materials with clean interfaces, robust superconductivity, and scalable architectures. Here, in this work, we report the synthesis and analysis of inclined InAs nanowires, conformally coated with β-Sn shells. These nanowires extend in opposite in-plane directions, forming a self-aligned, criss-cross network. This enables the deterministic formation of nanowire-shadow Josephson junctions through angle-controlled, low-temperature Sn deposition. Structural characterization shows uniform polycrystalline β-Sn shells forming a sharp, diffusion-free interface with InAs. Low-temperature transport measurements reveal a hard induced superconducting gap ≈ 600 μeV, switching currents up to ≈ 500 nA, and parallel magnetic field resilience beyond 1T. These results establish β-Sn/InAs nanowire networks as a promising platform for superconducting qubits, low-noise microwave devices, and the exploration of exotic superconducting phases including triplet pairing and topological superconductivity.

B-Sn↗
DOE OSTI2026

Ultrasonic-Assisted Extrusion Processing for Enhancing Physical Properties of High-Density Polyethylene by Flow-Induced Crystallization

The evolution of crystallinity resulting from stress imposed on a melt, known as flow-induced crystallinity, can strongly influence the mechanical and physical properties of semicrystalline polymers. This study investigates shear-induced crystallization by applying an ultrasonic field to the melt flow as it passes through dies with various geometries. A custom-built sonication die is employed for controlling the dynamic temperature and shear environment, resulting in molecular alignment and potential for flow-induced crystallization. Application of both conventional and ultrasonic shear rates at the equilibrium melt temperature of high-density polyethylene (HDPE) was investigated to accelerate crystallinity and manipulate the crystal morphology across the film in pursuit of improved mechanical and gas barrier properties without the need for additives or other polymer layers. The relationships among ultrasonic-assisted extrusion processing, polymer structure, and performance were analyzed using wide- and small-angle X-ray scattering (WAXS and SAXS), tensile testing, and oxygen transmission rate (OTR) analysis. Multiple linear regression models were implemented to predict the correlation among HDPE structure, process, and properties. Structural analysis revealed that both conventional and ultrasonic shear rates had the most significant influence on lamellar spacing and redistribution of rigid and soft amorphous fractions within the crystalline domains, ultimately dictating the mechanical and physical properties of the films. The goal is to explore the potential of the ultrasonic-assisted high crystallinity monolayer that can replace some of the functionality of complex, heterogeneous multilayer packaging with a single-material film having enhanced oxygen barrier properties.

crystallinity↗
DOE OSTI2022

A Meteorology and Snow Data Set From Adjacent Forested and Meadow Sites at Crested Butte, CO, USA

We present meteorology and snow observation data collected at sites in the southwestern Colorado Rocky Mountains (USA) over three consecutive water years with different amounts of snow water equivalent (SWE) accumulation: A year with above average SWE (2019), a year with average SWE (2020), and a year with below average SWE (2021). This data set is distinguished by its emphasis on paired open-forest sites in a continental snow climate. Approximately once a month during February–May, we collected data from 15 to 20 snow pits and took 8 to 19 snow depth transects. Our sampling sites were in open and adjacent forested areas at 3,100 m and in a lower elevation aspen (3,035 m) and higher elevation conifer stand (3,395 m). In total, we recorded 270 individual snow pit density and temperature profiles and over 4,000 snow depth measurements. These data are complimented by continuous meteorological measurements from two weather stations: One in the open and one in the adjacent forest. Meteorology data—including incoming shortwave and longwave radiation, outgoing shortwave radiation, relative humidity, wind speed, snow depth, and air and infrared surface temperature—were quality controlled and the forcing data were gap-filled. These data are available to download from Bonner, Smyth, et al. at three levels of processing, including a level with downscaled, adjusted precipitation based on data assimilation using observed snow depth and a process-based snow model. We demonstrate the utility of these data with a modeling experiment that explores open-forest differences and identifies opportunities for improvements in model representation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Impacts of Sea‐Level Rise on Coastal Groundwater Table Simulated by an Earth System Model With a Land‐Ocean Coupling Scheme

Abstract Sea‐level rise (SLR) poses a severe threat to the coastal environment through seawater intrusion into freshwater aquifers. The rising groundwater table also exacerbates the risk of pluvial, fluvial, and groundwater flooding in coastal regions. However, current Earth system models (ESMs) commonly ignore the exchanges of water at the land‐ocean interface. To address this gap, we developed a novel land‐ocean hydrologic coupling scheme in a state‐of‐the‐science ESM, the Energy Exascale Earth System Model version 2 (E3SMv2). The new scheme includes the lateral exchange between seawater and groundwater and the vertical infiltration of seawater driven by the SLR‐induced inundation. Simulations were performed with the updated E3SMv2 for the global land‐ocean interface to assess the impacts of SLR on coastal groundwater under a high CO 2 emission scenario. By the middle of this century, seawater infiltration on the inundated areas will be the dominant component in the land‐ocean coupling process, while the lateral subsurface flow exchange will be much smaller. The SLR‐induced seawater infiltration will raise the groundwater levels, enhance evapotranspiration, and increase runoff with distinct spatial patterns globally in the future. Although the coupling process is induced by SLR, we found topography and warming temperature have more control on the coupling impacts, probably due to the relatively modest magnitude of SLR during the selected future period. Overall, our study suggests significant groundwater and seawater exchange at the land‐ocean interface, which needs to be considered in ESMs.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Increased photosynthesis during spring drought in energy-limited ecosystems

Abstract Drought is often thought to reduce ecosystem photosynthesis. However, theory suggests there is potential for increased photosynthesis during meteorological drought, especially in energy-limited ecosystems. Here, we examine the response of photosynthesis (gross primary productivity, GPP) to meteorological drought across the water-energy limitation spectrum. We find a consistent increase in eddy covariance GPP during spring drought in energy-limited ecosystems (83% of the energy-limited sites). Half of spring GPP sensitivity to precipitation was predicted solely from the wetness index (R 2 = 0.47, p < 0.001), with weaker relationships in summer and fall. Our results suggest GPP increases during spring drought for 55% of vegetated Northern Hemisphere lands ( >30° N). We then compare these results to terrestrial biosphere model outputs and remote sensing products. In contrast to trends detected in eddy covariance data, model mean GPP always declined under spring precipitation deficits after controlling for air temperature and light availability. While remote sensing products captured the observed negative spring GPP sensitivity in energy-limited ecosystems, terrestrial biosphere models proved insufficiently sensitive to spring precipitation deficits.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Quantum fluctuations drive nonmonotonic correlations in a qubit lattice

Abstract Fluctuations may induce the degradation of order by overcoming ordering interactions, consequently leading to an increase of entropy. This is particularly evident in magnetic systems characterized by nontrivial, constrained disorder, where thermal or quantum fluctuations can yield counterintuitive forms of ordering. Using the proven efficiency of quantum annealers as programmable spin system simulators, we present a study based on entropy postulates and experiments on a platform of programmable superconducting qubits to show that a low level of uncertainty can promote ordering in a system impacted by both thermal and quantum fluctuations. A set of experiments is proposed on a lattice of interacting qubits arranged in a triangular geometry with precisely controlled disorder, effective temperature, and quantum fluctuations. Our results demonstrate the creation of ordered ferrimagnetic and layered anisotropic disordered phases, displaying characteristics akin to the elegant order-by-disorder phenomenon. Extensive experimental evidence is provided for the role of quantum fluctuations in lowering the total energy of the system by increasing entropy and defect clustering. Our thorough and comprehensive application of an intentionally introduced noise on a quantum platform provides insight into the dynamics of defects and fluctuations in quantum devices, which may help to reduce the cost associated with quantum processing.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

The impact of metastability on the high-pressure behavior of cerium

The structures adopted by solids under pressure are often assumed to reflect thermodynamic equilibrium, yet in many materials phase selection is strongly influenced by kinetic pathways and microstructural inheritance. Elemental cerium (Ce) exemplifies this challenge, with decades of conflicting reports describing different high-pressure crystal structures emerging under nominally identical conditions. Here we use neutron diffraction from large ( ~ 60 mm 3 ) sample volumes to follow the structural evolution in ultra-high-purity Ce during controlled pressure-temperature cycling between 85 and 295 K and up to 8 GPa. We find that the crystal structure formed at high pressure depends on the compression pathway: slow compression ( ~ 0.25 GPa hr −1 ) at room temperature favors an orthorhombic phase (α'), whereas slow ( ~ 0.25 GPa hr −1 ) and also moderately faster ( ~ 0.5 GPa hr −1 ) compression at low temperature stabilizes a pure monoclinic phase (α"). The low-temperature phase persists metastably over a wide temperature range but transforms irreversibly upon heating above ~ 280 K, or modest pressure cycling. Remarkably, the lower-pressure γ phase remains trapped far beyond the expected stability field, persisting to the highest pressures studied. These observations show that phase selection in Ce is governed by kinetics and microstructural memory rather than equilibrium thermodynamics or sample morphology alone, establishing path dependence as a defining feature of its high-pressure behavior.

Ridley, Christopher J. [Oak Ridge National Laborat↗
DOE OSTI2021

A two-dimensional type I superionic conductor

Superionic conductors (SICs) possess liquid-like ionic diffusivity in the solid state, finding wide applicability from electrolytes in energy storage to materials for thermoelectric energy conversion. Type I SICs (e.g., AgI, Ag 2 Se, etc.) are defined by a first-order transition to the superionic state and have so far been found exclusively in three-dimensional crystal structures. Here, we reveal a two-dimensional type I SIC, α-KAg 3 Se 2 by scattering techniques and complementary simulations. Quasi-elastic neutron scattering and ab initio molecular dynamics simulations confirm that the superionic Ag + ions are confined to sub-nanometre sheets, with the simulated local structure validated by experimental X-ray powder pair-distribution-function analysis. Finally, we demonstrate that the phase transition temperature can be controlled by chemical substitution of the alkali metal ions that comprise the immobile charge-balancing layers. Our work thus extends the known classes of SICs and will facilitate the design of new materials with tailored ionic conductivities and phase transitions.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Multichannel gas-uptake/evolution reactor for monitoring liquid-phase chemical reactions

The design of a headspace pressure-monitoring reactor for measuring the uptake/evolution of gas in gas–liquid chemical transformations is described. The reactor features a parallel setup with ten-reactor cells, each featuring a low working volume of 0.2–2 ml, a pressure capacity from 0 to 150 PSIa, and a high sensitivity pressure transducer. The reactor cells are composed of commercially available disposable thickwalled glassware and compact monolithic weld assemblies. The software interface controls the reactor temperature while monitoring pressure in each of the parallel reactor cells. Reactions are easy to set up and yield high-density gas uptake/evolution data. This instrument is especially well suited to acquire quantitative time-course data for reactions with small quantities of gas consumed or produced.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

Validation of 266 nm UV Raman thermometry using the alpha-to-beta quartz transition

Ultraviolet Raman scattering is a promising diagnostic for temperature measurements relevant to dynamic compression experiments, where improved signal strength and reduced background are critical. In this work, we experimentally validate Raman thermometry at 266 nm using crystalline quartz heated through the α to β phase transition in a tube furnace. Quartz provides a useful benchmark because of its well-characterized transition temperature near 846 K at ambient pressure. Temperatures inferred from the Stokes to anti-Stokes intensity ratio are compared with thermocouple measurements and with the observed phase transition. Single-shot Raman temperatures track the thermocouple closely, with an empirical single-shot scatter of approximately ±15 K under the present conditions. Temporal averaging reduces shot-to-shot scatter and improves agreement between the Raman temperatures and thermocouple readings to within approximately 8 K, while the transition is identified within 5 K of the accepted value. Measurements are performed using the fourth harmonic of a nanosecond pulsed Nd:YAG laser at 266 nm. The shorter excitation wavelength provides enhanced Raman scattering efficiency and reduced visible background relative to conventional visible excitation. Comparison with 532 nm Raman measurements acquired in the same experimental geometry demonstrates substantially improved signal-to-noise ratio for the UV configuration. These results establish 266 nm Raman thermometry as a reliable and accurate temperature diagnostic under controlled heating conditions and provide a quantitative benchmark for future application in dynamic compression and shock physics experiments.

Chemistry - Chemical explosives↗
DOE OSTI2024

Medium-density amorphous ice unveils shear rate as a new dimension in water’s phase diagram

Recent experiments revealed a new amorphous ice phase, medium-density amorphous ice (MDA), formed by ball-milling ice I h at 77 K [Rosu-Finsen et al., Science 379, 474–478 (2023)]. MDA has density between that of low-density amorphous (LDA) and high-density amorphous (HDA) ices, adding to the complexity of water’s phase diagram, known for its glass polyamorphism and two-state thermodynamics. The nature of MDA and its relation to other amorphous ices and liquid water remain unsolved. Here, we use molecular simulations under controlled pressure and shear rate at 77 K to produce and investigate MDA. Here. we find that MDA formed at constant shear rate is a steady-state nonequilibrium shear-driven amorphous ice (SDA), that can be produced by shearing ice I h , LDA, or HDA. Our results suggest that MDA could be obtained by ball-milling water glasses without crystallization interference. Increasing the shear rate at ambient pressure produces SDAs with densities ranging from LDA to HDA, revealing shear rate as a new thermodynamic variable in the nonequilibrium phase diagram of water. Indeed, shearing provides access to amorphous states inaccessible by controlling pressure and temperature alone. SDAs produced with shearing rates as high as 10 6 s −1 sample the same region of the potential energy landscape than hyperquenched glasses with identical density, pressure, and temperature. Intriguingly, SDAs obtained by shearing at ~10 8 s −1 have density, enthalpy, and structure indistinguishable from those of water “instantaneously” quenched from room temperature to 77 K over 10 ps, making them good approximants for the “true glass” of ambient liquid water.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗