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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,351 records · Page 75
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Impact of high-fidelity temperature feedback modeling on fusion blanket neutronics

Accurate modeling and simulation of neutron and gamma transport and interactions within fusion tokamaks represents a critical area of research for fusion energy development. This paper presents a method to couple computational fluid dynamics (CFD) results to high-fidelity neutronics analyses, to explore the fusion neutronics’ feedback to blanket temperature and density. This method is demonstrated on a sector model of a tokamak with immersion molten salt blanket, and the relative differences in tritium breeding ratio (TBR) with spatially-resolved temperature modeling are explored. Additionally, the influence of higher fidelity neutronics results on the subsequent CFD analysis is explored. Results show that global TBR changes $<$0.1% due to temperature spatial distribution modeling. However, local TBR in areas with high temperature variability can have up to ∼4% difference.

blanket fusion↗
DOE OSTI2023

Experimental and computational investigation into the hydrodynamics and chemical dynamics of laser ablation aluminum plasmas

Laser ablation plasma chemistry is governed by a complex interplay between hydrodynamic plasma-gas mixing processes, thermodynamics, and rapid high-temperature chemical reactions. Here, in this work, we investigate the gas-phase oxidation chemistry of ns-laser ablation aluminum plasmas in air using optical spectroscopy combined with advanced multi-physics modeling. Experimental measurements demonstrate the formation of AlO in the plasma plume as early as 1 μs while computational results reveal that several Al x O y species are distributed in the periphery of the plume at even earlier times (<20 ns) in the presence of large temperature gradients and strong shockwaves. Interactions with the ablation crater during rapid plume expansion are shown to initiate vortex formation, followed by mixing dynamics that work to pull AlO into the vortices to react with gas-phase Al to form Al 2 O. Oxygen and several aluminum oxides are simultaneously pulled up through the stem of the fireball, encouraging further intermixing between reacting species and enhanced molecular formation. This work concludes that chemical dynamics in laser ablation plasmas is driven by diffusion processes, concentration gradients, and plume hydrodynamics while strong shockwaves generated during laser ablation do not impede chemical reactions.

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

Vibrational relaxation dynamics in layered perovskite quantum wells

Significance Halide perovskites, especially layered perovskites, offer a number of advantages to creating bright and efficient light-emitting devices and other optoelectronic applications. The organic–inorganic hybrid layered perovskite features complex lattice dynamics due to the ionic character of the crystal and the softness arising from noncovalent bonds between molecular moieties and the inorganic network. Especially, the packing geometry of the organic barriers leads to a structural deformation of inorganic octahedral, which strongly affects the properties that are crucial for device applications. In this work, we use high-resolution resonant impulsive stimulated Raman spectroscopy of a variety of ligand substitutions in layered perovskites. We find the composition of organic ligands can substantially change the dephasing rate of optical phonons and their temperature dependence, due to varying degrees of anharmonicity in the lattice and dynamic structural disorder.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Spectral deconvolution without the deconvolution: Extracting temperature from x-ray Thomson scattering spectra without the source-and-instrument function

X-ray Thomson scattering (XRTS) probes the dynamic structure factor of the system, but the measured spectrum is broadened by the combined source-and-instrument function (SIF) of the setup. In order to extract properties such as temperature from an XRTS spectrum, the broadening by the SIF needs to be removed. Recent work [Dornheim et al. Nat. Commun. 13 , 7911 (2022)] has suggested that the SIF may be deconvolved using the two-sided Laplace transform. However, the extracted information can depend strongly on the shape of the input SIF, and the SIF is in practice challenging to measure accurately. Here, we propose an alternative approach: we demonstrate that considering ratios of Laplace-transformed XRTS spectra collected at different scattering angles is equivalent to performing the deconvolution, but without the need for explicit knowledge of the SIF. From these ratios, it is possible to directly extract the temperature from the scattering spectra, when the system is in thermal equilibrium. We find the method to be generally robust to spectral noise and physical differences between the spectrometers, and we explore situations in which the method breaks down. Furthermore, the fact that consistent temperatures can be extracted for systems in thermal equilibrium indicates that non-equilibrium effects could be identified by inconsistent temperatures of a few eV between the ratios of three or more scattering angles.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Design and Characterization of a Lens-Coupled System for Dynamic X-Ray Diffraction

X-ray diffraction (XRD) is a necessary technique for understanding states of materials under static and dynamic loading conditions. The higher-pressure Equation of State (EOS) of many materials can only be explored via shock or ramp compression at temperatures and pressures of interest. While static XRD work has yielded EOS measurements in the 100 - 200 GPa regime, dynamic X-ray diffraction (DXRD) can explore EOS phases in the TPa regime, which closely resembles inner-core planetary conditions. DXRD hinges on the ability to measure the exact phase or phase change of a material while under dynamic loading conditions. Macroscopic diagnostic systems (e.g. velocimetry and pyrometry) can infer a phase change but not identify the specific phase entered by a material. While microscopic (atomic-level) diagnostic systems (e.g. DXRD) have been designed and implemented in Department of Energy’s (DOE) National Laboratories complex, the unique nature of Sandia National Laboratories’ Pulsed Power Facility (Z Machine) prohibits the use of such devices. The destructive nature of Z experiments presents a challenge to data capture and retrieval. Furthermore there are electromagnetic interference, X-ray background, and mechanical constraints to consider. Thus, a multi-part X-ray diagnostic for use on the Z Machine and Z-Beamlet Laser system has been designed and analyzed. Portions of this new DYnamic SCintillator Optic (DYSCO) have been built, tested and fielded. A data analysis software has been written. Finally, the radiance profile of the DYSCO’s scintillator has been characterized through experiments performed at the University of Arizona.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Multiplexable intrinsic Fabry-Pérot interferometers inscribed by femtosecond laser for vibration measurement in high temperature environments

This article reports fabrication technique and demodulation algorithm developments to use multiplexable intrinsic Fabry-Pérot interferometer (IFPI) fiber sensor array for distributed vibration measurements at high temperatures. Using femtosecond laser direct writing scheme, IFPI array were fabricated through laser-induced Type II scattering points in single mode fiber cores. Reflection spectra of IFPI array were demodulated in real-time using modified Bunemen frequency analysis. The demodulation algorithm, which was implemented using a photodetector-array spectrometer, achieves 64-nε dynamic strain resolution at 1-kHz spectral acquisition rate and 2-kHz maximum vibration bandwidth. Performance and stabilities of IFPI sensor array were characterized from room temperatures to 800 °C. The static strain resolution was 0.6 με and the minimum detectable dynamic strain amplitude was 23 nε/√Hz at 800 °C. The multiplex performance was also tested by measuring dynamic strain in time domain through six IFPI sensor array fabricated in one fiber. This paper presents an integrated and low-cost sensing solution to perform distributed vibration measurements in harsh environments.

42 ENGINEERING↗
DOE OSTI2022

Subdiffusive High-Pressure Hydrogen Gas Dynamics in Elastomers

We report elastomeric rubber materials serve a vital role as sealing materials in the hydrogen storage and transport infrastructure. With applications including O-rings and hose liners, these components are exposed to pressurized hydrogen at a range of temperatures, cycling rates, and pressure extremes. High-pressure exposure and subsequent rapid decompression often lead to cavitation and stress-induced damage of the elastomer due to localization of the hydrogen gas. Here, we use all-atom classical molecular dynamics simulations to assess the impact of compositional variations on gas diffusion within the commonly used elastomer ethylene–propylene–diene monomer (EPDM). With the aim to build a predictive understanding of precursors to cavitation and to motivate material formulations that are less sensitive to hydrogen-induced failure, we perform systematic simulations of gas dynamics in EPDM as a function of temperature, gas concentration, and cross-link density. Our simulations reveal anomalous, subdiffusive hydrogen motion at pressure and intermediate times. We identify two groups of gas with different mobilities: one group exhibiting high mobility and one group exhibiting low mobility due to their motion being impeded by the polymer. With decreasing temperatures, the low-mobility group shows increased gas localization, the necessary precursor for cavitation damage in these materials. At lower temperatures, increasing cross-link density led to greater hydrogen gas mobility and a lower fraction of caged hydrogen, indicating that increasing cross-link density may reduce precursors to cavitation. Finally, we use a two-state kinetic model to determine the energetics associated with transitions between these two mobility states.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Data from: "Snowmelt Timing Regulates Community Composition, Phenology, and Physiological Performance of Alpine Plants"

This archive contains data that were used to support conclusions drawn in “Snowmelt Timing Regulates Community Composition, Phenology, and Physiological Performance of Alpine Plants”, by Winkler et al., 2018. Data were collected throughout the 2009 growing season on Niwot Ridge, Colorado, before the site became part of the Alpine Treeline Warming Experiment (ATWE). Geospatial files are included in this archive to provide additional locational context. The files in this data package consist of five comma-separated-values (.csv) files, one keyhole markup language (.kml) file, and two ESRI shapefiles (.shp). The .csv files can be opened by Microsoft Excel, R, or any simple text-editor software, such as TextEdit (MacOS) or Notepad (Windows). The .kml files can be opened by Google Maps or Google Earth, and the .shp files are compatible with GIS softwares such as ESRI’s ArcGIS suite, and QGIS.------------------------------------------------------------------------------------------------------------------------------------------------------------------------------We asked how plant community composition, phenology, plant water relations, and photosynthetic gas exchange of alpine-restricted and wide-ranging species differ in their responses to a ca. 40-day snowmelt gradient in the Colorado Rocky mountains (Lewisia pygmaea, Sibbaldia procumbens, and Hymenoxys grandiflora were alpine-restricted and Artemisia scopulorum, Carex rupestris, and Geum rossii were wide-ranging species). To do this, we measured percent cover and flowering initiation across 20 plots varying in snowmelt timing and measured net photosynthesis and stomatal conductance in multiple individuals of each target species in these plots in 2009.As hypothesized, species richness and foliar cover increased with earlier snowmelt, due to a greater abundance of wide-ranging species present in earlier melting plots. Flowering initiation occurred earlier with earlier snowmelt for 12 out of 19 species analyzed, while flowering duration was shortened with later snowmelt for six species (all but one were wide ranging species). We observed >50% declines in net photosynthesis from July to September as soil moisture and plant water potentials declined. Early-season stomatal conductance was higher in wide-ranging species, indicating a more competitive strategy for water acquisition when soil moisture is high. Even so, there were no associated differences in photosynthesis or transpiration, suggesting no strong differences between these groups in physiology.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

The importance of long-timescale simulations for driven systems: An example of He bubble growth at a W GB

Accelerated Molecular Dynamics (AMD) is used to study complex systems under realistic conditions by extending the timescales accessible by Molecular Dynamics. However, some studies rely instead on driving atomic systems harder with higher temperature, faster growth, etc. Here, we study He bubble growth at a W grain boundary as an illustration of harnessing AMD methods to avoid consequences of over-driving the system. The growth mechanisms observed for a He bubble grown under realistic conditions are compared to bubbles-grown orders of magnitude faster, at rates typical of conventional molecular dynamics simulations. We find that progressive growth mechanisms and bubble structures depend on the rate at which the bubble is grown providing further evidence that care must be taken when simulating the dynamics of driven systems such as this one.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Ultrafast electron dynamics in platinum and gold thin films driven by optical and terahertz fields

Here, we investigate the ultrafast electron dynamics triggered by terahertz and optical pulses in thin platinum and gold films by probing their transient optical reflectivity. The response of the platinum film to an intense terahertz pulse is similar to the optically induced one and can be described by a two-temperature model with a 20% larger electron–phonon coupling for the terahertz-driven dynamics compared to the optically induced one, ascribed to an additional nonthermal electron–phonon coupling contribution. Surprisingly, gold films exhibit a much smaller terahertz pulse-induced reflectivity change and with a sign opposite to the optical case. Additionally we explain this remarkable observation with field emission of electrons due to Fowler–Nordheim tunneling, enabled in samples with thicknesses below the structural percolation threshold, where nanostructuring promotes near-field enhancement. Our results provide a fundamental insight into the ultrafast processes relevant to modern electro- and magneto-optical applications.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Atomic dynamics in fluids: Normal mode analysis revisited

Developing microscopic understanding of the thermal properties of liquids is challenging due to their strong dynamic disorder, which prevents characterization of the atomic degrees of freedom. There have been significant research interests in the past few decades to extend the normal mode analysis for solids to instantaneous structures of liquids. However, the nature of normal modes that arise from these unstable structures is still elusive. Here, in this paper, we explore the instantaneous eigenmodes of dynamical matrices of various Lennard-Jones argon liquid and gas systems at high temperatures and show that the normal modes can be interpreted as an interpolation of T →∞ (gas) and T=0 (solid) mode descriptions. We find that normal modes become increasingly collisional and translational, recovering atomistic gaslike behavior rather than vibrational with increase in temperature, suggesting that normal modes in liquids may be described by both solidlike and gaslike modes.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Post-Transcriptional Mechanisms Respond Rapidly to Ecologically Relevant Thermal Fluctuations During Temperature-Dependent Sex Determination

An organism’s ability to integrate transient environmental cues experienced during development into molecular and physiological responses forms the basis for adaptive shifts in phenotypic trajectories. During temperature-dependent sex determination (TSD), thermal cues during discrete periods in development coordinate molecular changes that ultimately dictate sexual fate and contribute to patterns of inter- and intra-sexual variation. How these mechanisms interface with dynamic thermal environments in nature remain largely unknown. By deploying thermal loggers in wild nests of the American alligator (Alligator mississippiensis) over two consecutive breeding seasons, we observed that 80% of nests exhibit both male- and female-promoting thermal cues during the thermosensitive period, and of these nests, all exhibited both male- and female-promoting temperatures within the span of a single day. These observations raise a critical question—how are opposing environmental cues integrated into sexually dimorphic transcriptional programs across short temporal scales? To address this question, alligator embryos were exposed to fluctuating temperatures based on nest thermal profiles and sampled over the course of a daily thermal fluctuation. We examined the expression dynamics of upstream genes in the temperature-sensing pathway and find that post-transcriptional alternative splicing and transcript abundance of epigenetic modifier genes JARID2 and KDM6B respond rapidly to thermal fluctuations while transcriptional changes of downstream effector genes, SOX9 and DMRT1, occur on a delayed timescale. Our findings reveal how the basic mechanisms of TSD operate in an ecologically relevant context. We present a hypothetical hierarchical model based on our findings as well as previous studies, in which temperature-sensitive alternative splicing incrementally influences the epigenetic landscape to affect the transcriptional activity of key sex-determining genes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Surface Meteorology at Teller Mile 47 Watershed, Seward Peninsula, Alaska, Ongoing from 2018

Meteorological data are currently being collected at one location at the Teller Mile 47 (TL_MM47) Research Basin Site, Seward Peninsula (N64 58' 36.918", W166 12' 32.67", 67 meters above sea level). The site was installed and initial measurements started in September 2018 and it has operated continuously since then. The meteorological station is co-located with a continuous snow depth sensor and two soil pits for subsurface temperature and moisture measurements. These data are being collected to better understand the energy dynamics above the active layer and permafrost. They complement in-situ snow and soil measurements also at this location. The data could also be used as supporting measurements for other research and modeling activities. There are 35 comma separated value format (*.csv) files provided, where each file contains the full data for an individual parameter (e.g. air temperature at 1.5 meters above the ground surface (teller_m47_air_temperature_150cm_ags_Avg.csv) or soil temperature 20 centimeters below ground surface (teller_m47_dry_soil_pit_temperature_20cmbgs_Avg.csv)) plus the time in Universal Coordinated Time (UTC) and Alaska Standard Time (UTC time minus nine hours). The site was installed and initial measurements started in September 2018. It has been operated continuously since. Primary data gaps are due to battery failure or sensor failure. These data are being collected to better understand the surface energy dynamics above the active layer and permafrost. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a 10-year research effort (2012-2022) to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy?s Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy?s Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Real Time 3D Observations of Portland Cement Carbonation at CO2 Storage Conditions

Depleted oil reservoirs are considered a viable solution to the global challenge of CO 2 storage. A key concern is whether the wells can be suitably sealed with cement to hinder the escape of CO 2 . Under reservoir conditions, CO 2 is in its supercritical state, and the high pressures and temperatures involved make real-time microscopic observations of cement degradation experimentally challenging. Here, we present an in situ 3D dynamic X-ray micro computed tomography (μ-CT) study of well cement carbonation at realistic reservoir stress, pore-pressure, and temperature conditions. The high-resolution time-lapse 3D images allow monitoring the progress of reaction fronts in Portland cement, including density changes, sample deformation, and mineral precipitation and dissolution. By switching between flow and nonflow conditions of CO 2 -saturated water through cement, we were able to delineate regimes dominated by calcium carbonate precipitation and dissolution. For the first time, we demonstrate experimentally the impact of the flow history on CO 2 leakage risk for cement plugging. In-situ μ-CT experiments combined with geochemical modeling provide unique insight into the interactions between CO 2 and cement, potentially helping in assessing the risks of CO 2 storage in geological reservoirs.

58 GEOSCIENCES↗
DOE OSTI2023

Data driven pathway analysis and forecast of global warming and sea level rise

Climate change is a critical issue of our time, and its causes, pathways, and forecasts remain a topic of broader discussion. In this paper, we present a novel data driven pathway analysis framework to identify the key processes behind mean global temperature and sea level rise, and to forecast the magnitude of their increase from the present to 2100. Based on historical data and dynamic statistical modeling alone, we have established the causal pathways that connect increasing greenhouse gas emissions to increasing global mean temperature and sea level, with its intermediate links encompassing humidity, sea ice coverage, and glacier mass, but not for sunspot numbers. Our results indicate that if no action is taken to curb anthropogenic greenhouse gas emissions, the global average temperature would rise to an estimated 3.28 °C (2.46–4.10 °C) above its pre-industrial level while the global sea level would be an estimated 573 mm (474–671 mm) above its 2021 mean by 2100. However, if countries adhere to the greenhouse gas emission regulations outlined in the 2021 United Nations Conference on Climate Change (COP26), the rise in global temperature would lessen to an average increase of 1.88 °C (1.43–2.33 °C) above its pre-industrial level, albeit still higher than the targeted 1.5 °C, while the sea level increase would reduce to 449 mm (389–509 mm) above its 2021 mean by 2100.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Real Space Imaging of Spin Stripe Domain Fluctuations in a Complex Oxide

Understanding the formation and dynamics of charge and spin-ordered states in low-dimensional transition metal oxide materials is crucial to understanding unconventional high-temperature superconductivity. La 2-x Sr x NiO 4+δ (LSNO) has attracted much attention due to its interesting spin dynamics. Recent x-ray photon correlation spectroscopy studies have revealed slow dynamics of the spin order (SO) stripes in LSNO. Here, we applied resonant soft x-ray ptychography to map the spatial distribution of the SO stripe domain inhomogeneity in real space. The reconstructed images show the SO domains are spatially anisotropic, in agreement with previous diffraction studies. For the SO stripe domains, it is found that the correlation lengths along different directions are strongly coupled in space. Surprisingly, fluctuations were observed in the real space amplitude signal, rather than the phase or position. Overall, we attribute the observed slow dynamics of the stripe domains in LSNO to thermal fluctuations of the SO domain boundaries.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Connecting Dynamic Strain Aging to Deformation Processing in Magnesium-Calcium-Based Alloys

Fuel consumption can be improved by reducing car weight with substitution of aluminum and steel parts with magnesium (Mg). Magnesium formability at room temperature is limited due to strong basal texture generated prior processing. Shear band nucleation, observed under conditions in which dynamic strain aging (DSA), have been attributed to be responsible for texture weakening in dilute Mg – Rare Earths (RE) alloys. A low–cost substitution of RE is calcium (Ca) with similar atomic size. It is hypothesized that deformation of Mg – Ca alloys under DSA conditions improves Mg formability. In this study, Mg–Ca and Mg–Ca–Zn alloys were characterized using optical microscopy, XRD, and SEM/EDS. Compression testing was performed between 200 and 300C at different strain rates to observe DSA behavior. This work was performed under DOE Award Number DE-EE0007756.

Manuel, Michele↗
DOE OSTI2021

Particle-hole asymmetry in the dynamical spin and charge responses of corner-shared 1D cuprates

Although many experiments imply that oxygen orbitals play an essential role in the high-temperature superconducting cuprates, their precise role in collective spin and charge excitations and superconductivity is not yet fully understood. Here, we study the doping-dependent dynamical spin and charge structure factors of single and multi-orbital (pd) models for doped one-dimensional corner-shared spin-chain cuprates using several numerically exact methods. In doing so, we determine the orbital composition of the collective spin and charge excitations of cuprates, with important implications for our understanding of these materials. For example, we observe a particle-hole asymmetry in the orbital-resolved charge excitations, which is directly relevant to resonant inelastic x-ray scattering experiments and not captured by the single-band Hubbard model. Our results imply that one must explicitly include the oxygen degrees of freedom in order to fully understand some experimental observations on cuprate materials.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗