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At least 523 records · Page 29

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NASA NTRS2005

Osmium Isotope Evidence for an S-Process Carrier in Primitive Chondrites

The degree of isotopic mixing in the solar nebula and the nature of pre-solar components that have contributed to our solar system remain subjects of vigorous debate. Isotopic anomalies have been identified in Ca-Al inclusions in chondrites [1-4]. This indicates that refractory pre-solar components were not completely homogenized or processed away at the high temperatures experienced by CAIs. Pre-solar grains (SiC, C, etc.) are prevalent in primitive chondrites, and preserve isotopic heterogeneity resulting from the nucleosynthetic processes occurring in the stars from which these grains formed [2,4]. Several recent studies employing precise techniques for measuring Ru, Mo and Zr isotopes in bulk meteorites, have come up with varying conclusions on the degree of effectiveness of nebular mixing on the scale of bulk meteorite material. Some of these studies have reported isotopic anomalies in Mo and Ru [3,5-7], while others have not observed anomalies in Mo, Ru, or Zr [8-10]. Debate over the quality of the data, the normalization techniques employed, the absence or presence of isobaric interferences during the measurements on different types of instruments (e.g. TIMS versus ICP-MS), and other factors, has ensued [11,12].

Brandon, A. D.↗

NASA NTRS2014

NASA MSFC Electrostatic Levitator (ESL) Rapid Quench System

Electrostatic levitation, a form of containerless processing, is an important tool in materials research. Levitated specimens are free from contact with a container; therefore, heterogeneous nucleation on container walls is not possible. This allows studies of deeply undercooled melts. Furthermore, studies of high‐temperature, highly reactive materials are also possible. Studies of the solidification and crystallization of undercooled melts is vital to the understanding of microstructure development, particularly the formation of alloys with unique properties by rapid solidification. The NASA Marshall Space Flight Center (MSFC) Electrostatic Levitator (ESL) lab has recently been upgraded to allow for rapid quenching of levitated materials. The ESL Rapid Quench System uses a small crucible‐like vessel that can be partially filled with a low melting point material, such as a Gallium alloy, as a quench medium. An undercooled sample can be dropped into the vessel to rapidly quench the sample. A carousel with nine vessels sits below the bottom electrode assembly. This system allows up to nine rapid quenches before having to break vacuum and remove the vessels. This new Rapid Quench System will allow materials science studies of undercooled materials and new materials development. In this presentation, the system is described and initial results are presented.

SanSoucie, Michael P.↗

NASA NTRS2019

Observations of Jupiter Family Comet 252P/LINEAR During a Close Approach to Earth Reveal Large Abundances of Methanol and Ethane

We observed short-period comet 252P/LINEAR post-perihelion during its 2016 passage, which presented a favorable opportunity to survey its chemical composition at a close Earth approach (∼0.14 au). We characterized the comet’s chemical composition on four dates (UT 2016 April 12, 19, 26, and 29) using spectroscopic measurements with the Near-infrared Spectrograph (NIRSPEC) at the Keck Observatory on Maunakea, HI. Our high-resolution infrared spectra yielded production rates for four species (H2O, CH3OH, C2H6, and HCN) and upper limits for five species (NH3, H2CO, C2H2, CO, and CH4). We measured water at an average production rate of 4.9 ± 0.1 × 10(exp 27) molec s(exp -1). The chemical properties of 252P suggest a rather typical composition, yet somewhat enriched in methanol and ethane but low in formaldehyde (upper limit) compared to other short-period comets surveyed at infrared wavelengths. Analysis of the ortho/para ratio in water indicates a nuclear spin temperature larger than ∼38 K, consistent with statistical equilibrium (2σ). Spatial distributions of gases, which are representative of possible heterogeneity in the nucleus and/or gas dynamics upon sublimation, showed rather symmetric profiles, with subtle enhancements of the more volatile species C2H6 and HCN toward the sunward hemisphere, while water showed spatial distributions that were extended toward the anti-sunward hemisphere. The continuum was characterized by a narrow distribution. We place our infrared results in the context of observations with the Discovery Channel Telescope, the James Clerk Maxwell submillimeter Telescope, and the Hubble Space Telescope.

Comet 252P/LINEAR↗

DOE OSTI2021

Heterogeneous Growth of UiO-66-NH 2 on Oxidized Single-Walled Carbon Nanotubes to Form “Beads-on-a-String” Composites

In this work we demonstrate a facile synthesis of UiO-66-NH 2 metal-organic framework (MOF)/oxidized single-walled carbon nanotubes (ox-SWCNTs) composite at room temperature. Acetic acid (HAc) was used as a modulator to manipulate the morphology of the MOF in these composites. With zirconium oxide-cluster (Zr) to 2-aminoteraphthalate linker (ATA) 1:1.42 ratio and acetic acid modulator, we achieved predominately heterogeneous MOF growth on the sidewalls of CNTs. Understanding the growth mechanism of these composites was facilitated by conducting DFT calculations to investigate the interactions between ox-SWCNTs and the MOF precursors. The synthesized composites combine both micro-porosity of the MOF and electrical conductivity of the SWCNTs. Gas sensing tests demonstrated higher response for UiO-66-NH 2 /ox-SWCNT hybrid toward dry air saturated with dimethyl methylphosphonate (DMMP) vapor compared to oxidized single-walled carbon nanotubes (ox-SWCNTs) alone.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Large Eddy Simulations of the Atmospheric Boundary Layer Over Satellite‐Sensed Sea Ice Maps

Surface heterogeneity in the marginal ice zone (MIZ) causes multiscale secondary atmospheric circulations that are challenging to model or observe. The absence or inadequate representation of these circulations in ocean‐atmosphere exchange schemes in climate models is partially responsible for the underestimation of Arctic sea ice loss. Observationally, such circulations obfuscate the interpretation of polar atmospheric chemistry measurements, among others. To address this open challenge, large‐eddy simulations are conducted over real‐world satellite‐sensed sea ice maps with an ice‐sea temperature contrast, as well as over idealizations of these maps that alter the ice pattern but conserve its fraction, showing that the ice fraction of a surface is not sufficient to predict the surface heat flux. In a second suite of simulations, three other heterogeneity metrics (representing the surface fragmentation, patch edge tortuosity, and patch size variability) are introduced to complement the ice fraction in describing the surface. Simulations varying these parameters suggest that they also significantly impact surface‐air interactions. A roughness contrast is then added to the surface temperature contrast, indicating that the contribution of roughness changes to the resulting atmospheric circulations is less pronounced than that of thermal heterogeneity. Based on these results, we illustrate, using a multi‐linear regression on these map features, that MIZ surface parameterizations in Earth Systems Models can be improved if they account for these various characteristics of the sea‐ice patterns.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Representing surface heterogeneity in land–atmosphere coupling in E3SMv1 single-column model over ARM SGP during summertime

Abstract. The Earth's land surface features spatial and temporal heterogeneity over a wide range of scales below those resolved by current Earth system models (ESMs). State-of-the-art land and atmosphere models employ parameterizations to represent their subgrid heterogeneity, but the land–atmosphere coupling in ESMs typically operates on the grid scale. Communicating the information on the land surface heterogeneity with the overlying atmospheric boundary layer (ABL) remains a challenge in modeling land–atmosphere interactions. In order to account for the subgrid-scale heterogeneity in land–atmosphere coupling, we implement a new coupling scheme in the Energy Exascale Earth system model version 1 (E3SMv1) that uses adjusted surface variances and covariance of potential temperature and specific water content as the lower boundary condition for the atmosphere model. The new lower boundary condition accounts for both the variability of individual subgrid land surface patches and the inter-patch variability. The E3SMv1 single-column model (SCM) simulations over the Atmospheric Radiation Measurement (ARM) Southern Great Plain (SGP) site were performed to assess the impacts. We find that the new coupling parameterization increases the magnitude and diurnal cycle of the temperature variance and humidity variance in the lower ABL on non-precipitating days. The impacts are primarily attributed to subgrid inter-patch variability rather than the variability of individual patches. These effects extend vertically from the surface to several levels in the lower ABL on clear days. We also find that accounting for surface heterogeneity increases low cloud cover and liquid water path (LWP). These cloud changes are associated with the change in cloud regime indicated by the skewness of the probability density function (PDF) of the subgrid vertical velocity. In precipitating days, the inter-patch variability reduces significantly so that the impact of accounting for surface heterogeneity vanishes. These results highlight the importance of accounting for subgrid heterogeneity in land–atmosphere coupling in next-generation ESMs.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1993

Soret diffusion: A possible cause of compositional heterogeneity within tektites

Although a terrestrial origin for tektites is well-established on geochemical evidence, the physical processes involved in tektite formation have been largely ignored by geochemists and petrologists. For example, two observations that potentially bear on the physics of their origin are the following: (1) The flange of an australite is often more heterogeneous than its core; and (2) microtektites are compositionally more diverse than tektites. The first observation contradicts the traditional view of flange formation since a second heating to super-liquidus temperatures during atmospheric re-entry should, by chemical diffusion and mixing, have tended to homogenize the melt as it flowed off the leading edge of the core to form the flange. Analyses of an australite flange have been performed by electron microprobe. The results of those analyses emphasize the magnitude of the heterogeneity, as well as the well-defined elemental correlations that may constrain the process responsible for it. The second observation that the bulk compositions of microtektites are more divers than the tektites within the same strewnfield is a well-known characteristic, for which no quantitative explanation has been offered. The current investigation has involved the analysis of 43 Australasian microtektites from the Wharton Basin by electron microprobe, as well as trace-element abundances on fifteen of these microtecktites by INAA.

Delano, J. W.↗

NASA NTRS2014

Heterogenous Oxygen Isotopic Composition of a Complex Wark-Lovering Rim and the Margin of a Refractory Inclusion from Leoville

Wark-Lovering (WL) rims [1] surrounding many refractory inclusions represent marker events in the early evolution of the Solar System in which many inclusions were exposed to changes in pressure [2], temperature [3], and isotopic reservoirs [4-7]. The effects of these events can be complex, not only producing mineralogical variability of WL rims [2], but also leading to mineralogical [8-10] and isotopic [7, 11, 12] changes within inclusion interiors. Extreme oxygen isotopic heterogeneity measured in CAIs has been explained by mixing between distinct oxygen gas reservoirs in the nebula [13]. Some WL rims contain relatively simple mineral layering and/or are isotopically homogeneous [14, 15]. As part of a larger effort to document and understand the modifications observed in some CAIs, an inclusion (L6) with a complex WL rim from Leoville, a member of the reduced CV3 subgroup was studied. Initial study of the textures and mineral chemistry was presented by [16]. Here we present NanoSIMS oxygen isotopic measurements to complement these petrologic observations.

Simon, J. I.↗

DOE OSTI2023

Kinetically versus thermodynamically controlled factors governing elementary pathways of GaP(111) surface oxidation

GaP and related III-V semiconductors have attracted interest as high-efficiency photoelectrochemical electrodes for solar water splitting. However, their efficacy is linked to the presence, identity, and integrity of native surface oxides, which are structurally and chemically complex and evolve during operation. Using ambient pressure X-ray photoelectron spectroscopy (APXPS) coupled with ab initio simulations, we track key chemical motifs expressed during evolution of GaP(111) surface oxides, their associated reaction kinetics, and their correlations with electronic properties. We identify two distinct thermal regimes corresponding to kinetically and thermodynamically controlled oxidation. Below 600 K, exposure to O2 generates kinetically facile Ga-O-Ga configurations, whereas higher temperatures cause activated oxygen to insert into Ga–P bonds as part of a thermodynamically driven transformation into a complex, heterogeneous 3D network of surface POx (1≤x ≤ 4) groups and Ga2O3 species, the latter of which eventually dominates upon depletion of surface phosphorus. Here our study highlights the critical competition between kinetic and thermodynamic factors during GaP oxidation, yielding insights for fabricating stable III-P-based photoelectrodes with precisely engineered surface properties.

08 HYDROGEN↗

DOE OSTI2026

Quenched disorder in the triangular lattice antiferromagnet YbZn 2⁢ GaO 5

We investigate the crystal electric field (CEF) excitations of Yb 3+ ions in powder samples of the triangular-lattice rare-earth-based antiferromagnet YbZn 2⁢ GaO 5 using inelastic neutron scattering (INS). Three CEF excitations from the ground-state Kramers doublet were observed, each exhibiting significant broadening beyond instrumental resolution. Combining temperature-dependent INS and neutron powder diffraction, we identify a significant static contribution to this broadening and attribute it to heterogeneous coordination of Yb 3+ ions due to Ga 3+ /Zn 2+ site mixing. Rietveld refinement of neutron powder diffraction indicates that 35% of Ga occupies the Zn site and 60% of Zn occupies the Ga site. We show with a point charge model for the CEF Hamiltonian that heterogeneous coordination of Yb3+ ions leads to broadened CEF peaks. First-principles calculations demonstrate that the random Ga 3+ /Zn 2+ distribution can produce the distortions of the YbO 6 octahedra observed from neutron diffraction. Because the documented heterogeneity will extend to exchange interactions, our results suggest that disorder is a significant factor in the unusual magnetism previously reported in YbZn 2 ⁢GaO 5 , including broad low-energy magnetic excitations and the absence of magnetic ordering down to 0.3 K.

Crystal field excitations↗

DOE OSTI2025

Interpretation of Ion Irradiation and Neutron Irradiation Damage in Additively Manufactured 316 Stainless Steel using Multiscale Modeling

The accelerated adoption of nuclear energy necessitates advanced manufacturing technologies, such as additive manufacturing, to meet heightened supply chain requirements and support innovative reactor technologies. Due to the unique microstructural characteristics of additively manufactured materials under distinct solidification conditions, comprehensive evaluation of their performance in reactor environments is essential. The Advanced Materials and Manufacturing Technologies program under the Department of Energy's Office of Nuclear Energy focuses on understanding the irradiation performance and damage evolution of laser powder bed fusion 316 stainless steel, with an emphasis on integrating ion and neutron irradiation data to accelerate the development and qualification of materials for advanced nuclear reactor applications. While ion irradiation is a cost- and time-effective method, modeling and simulation are required to interpret the data for the broader range of irradiation conditions encountered in advanced reactors. In fiscal year 2025, integrated multiscale modeling and simulations were conducted to assess irradiation damage in additively manufactured 316 stainless steel. Key outcomes include predictions of chromium enrichment at grain boundaries, nickel enrichment at dislocation cell walls and void surfaces, and heterogeneous void evolution under ion and neutron irradiation conditions. Cluster dynamics simulations revealed the coarsening of voids at high irradiation temperatures and the suppression of void growth by high network dislocation density, while also demonstrating significant growth and coarsening of voids and self-interstitial atom loops at low dose rates. Machine learning-accelerated atomistic simulations highlighted the impact of the local environment and chromium concentration on vacancy diffusivity, providing key insights on the influence of composition on void swelling and radiation-induced segregation. Additionally, molecular dynamics simulations demonstrated the presence of defect production bias and a significant effect of carbon content on defect cluster behavior. These combined efforts aim to predict the performance of additively manufactured materials under various reactor conditions, supporting their qualification for nuclear reactor applications by interpreting ion irradiation data. This report underscores the potential of integrated multiscale modeling to analyze ion irradiation data in the effort to accelerate the qualification of additively manufactured materials for nuclear reactor components.

316 stainless steel↗

NASA NTRS1976

Functional and anatomical characteristics of the nerve-brown adipose interaction in the rat

Experiments were conducted on 12 male rats to study the coupling of signals from the sympathetic nervous system to the brown adipose tissue. Analysis of electron photomicrographs revealed considerable morphological heterogeneity among the nerves entering and leaving the interscapular fat pad. In response to electrical simulation of the nerves, the temperature of the brown fat increased following a rapid but transient temperature drop. Such changes were observed only on the ipsilateral side, indicating that the innervation to the interscapular brown fat of the rat is functionally bilateral rather than diffuse. The finding that brown fat is capable of responding in a graded fashion correlates well with observations suggesting that clusters of brown adipocytes may be electrically coupled.

Flaim, K. E.↗

NASA NTRS1985

Glass Research

Research efforts span three general areas of glass science: glass refining, gel-derived glasses, and nucleation and crystallization of glasses. Gas bubbles which are present in a glass product are defects which may render the glass totally useless for the end application. For example, optical glasses, laser host glasses, and a variety of other specialty glasses must be prepared virtually defect free to be employable. Since a major mechanism of bubble removal, buoyant rise, is virtually inoperative in microgravity, glass fining will be especially difficult in space. On the other hand, the suppression of buoyant rise and the ability to perform containerless melting experiments in space allows the opportunity to carry out several unique bubble experiments in space. Gas bubble dissolution studies may be performed at elevated temperatures for large bubbles with negligible bubble motion. Also, bubble nucleation studies may be performed without the disturbing feature of heterogeneous bubble nucleation at the platinum walls. Ground based research efforts are being performed in support of these potential flight experiments.

Weinberg, M. C.↗

NASA NTRS2005

Experimental Reproduction of Olivine rich Type-I Chondrules

Ordinary chondritic meteorites are an abundant type of stony meteorite characterized by the presence of chondrules. Chondrules are small spheres consisting of silicate, metal, and sulfide minerals that experienced melting in the nebula before incorporation into chondritic meteorite parent bodies. Therefore, chondrules record a variety of processes that occurred in the early solar nebula. Two common types of unequilibrated chondrules with porphyritic textures include FeO-poor (type I) and FeO-rich (type II) each subdivided into an A (SiO2-poor) and B (SiO2-rich) series. Type IA chondrules include those with high proportions of olivine phenocrysts (>80% olivine) and type IB chondrules include those with high proportions of pyroxene phenocrysts (<20% olivine). An intermediate composition, type IAB chondrules include those chondrules in which the proportion of olivine phenocrysts is between 20-80%. We conducted high-temperature laboratory experiments (melting at 1550 C) to produce type I chondrules from average unequilibrated ordinary chondrite (UOC) material mixed with small amounts of additional olivine. The experiments were conducted by adding forsteritic rich olivine (San Carlos olivine, Fo 91) to UOC material (GRO 95544) in a 30/70 ratio, respectively. Results of these high temperature experiments suggest that we have replicated type IA chondrule textures and compositions with dynamic crystallization experiments in which a heterogeneous mixture of UOC (GRO 95544) and olivine (San Carlos olivine) were melted at 1550 C for 1 hr. and cooled at 5-1000 C/hr using graphite crucibles in evacuated silica tubes to provide a reducing environment.

Smith, Robert K.↗

NASA NTRS2017

Cirrus Susceptibility to Changes in Ice Nuclei: Physical Processes, Model Uncertainties, and Measurement Needs

In this talk, I will begin by discussing the physical processes that govern the competition between heterogeneous and homogeneous ice nucleation in upper tropospheric cirrus clouds. Next, I will review the current knowledge of low-temperature ice nucleation from laboratory experiments and field measurements. I will then discuss the uncertainties and deficiencies in representations of cirrus processes in global models used to estimate the climate impacts of changes in cirrus clouds. Lastly, I will review the critical field measurements needed to advance our understanding of cirrus and their susceptibility to changes in aerosol properties.

Jensen, Eric↗

NASA NTRS2023

Interactions Between Thresholds and Spatial Discretizations of Snow: Insights From Estimates of Wolverine Denning Habitat in the Colorado Rocky Mountains

Thresholds can be used to interpret environmental data in a way that is easily communicated and useful for decision making purposes. However, thresholds are often developed for specific data products and time periods, changing findings when the same threshold is applied to datasets or periods with different characteristics. Here, we test the impact of different spatial discretizations of snow on annual estimates of wolverine denning opportunities in the Colorado Rocky Mountains, defined using a snow water equivalent (SWE) threshold (0.20 m) and threshold date (15 May) from previous habitat assessments. Annual potential wolverine denning area (PWDA) was thresholded from a 36-year (1985 – 2020) snow reanalysis model with three different spatial discretizations: 1) 480 m grid cells (D480), 2) 90 m grid cells (D90), and 3) 480 m grid cells with implicit representations of subgrid snow spatial heterogeneity (S480). Relative to the D480 and S480 discretizations, D90 resolved shallower snow deposits on slopes between 3050 and 3350 m elevation, decreasing PWDA by 10%, on average. In years with warmer and/or drier winters, S480 discretizations with subgrid representations of snow heterogeneity increased PWDA, even within grid cells where mean 15 May SWE was less than the SWE threshold. These simulations increased PWDA by upwards of 30% in low snow years, as compared to the D480 and D90 simulations without subgrid snow heterogeneity. Despite PWDA sensitivity to different snow spatial discretizations, PWDA was controlled more by annual variations in winter precipitation and temperature. However, small changes to the SWE threshold (± 0.07 m) and threshold date (± 2 weeks) also affected PWDA by as much as 82%. Across these threshold ranges, PWDA was approximately 18% more sensitive to the SWE threshold than the threshold date. However, the sensitivity to the threshold date was larger in years with late spring snowfall, when PWDA depended on whether modeled SWE was thresholded before, during, or after spring snow accumulation. Our results demonstrate that snow thresholds are useful but may not always provide a complete picture of the annual variability in snow-adapted wildlife denning opportunities. Studies thresholding spatiotemporal datasets could be improved by including 1) information about the fidelity of thresholds across multiple spatial discretizations, and 2) uncertainties related to ranges of realistic thresholds.

Justin M. Pflug↗

DOE OSTI2024

An uncertain future change in aridity over the tropics

Abstract An ensemble of climate models from phase six of the Coupled Model Intercomparison Project shows that temperature and potential evapotranspiration (PET) are projected to increase globally towards the end of the 21st century. However, climate models show a spatially heterogeneous change in precipitation over the tropics. Consequently, future changes in aridity (a measure of water availability) are complex and location-dependent. We assess future changes in aridity using three climate models and several single-forcing experiments. Near-term (2021–2040) changes in aridity are small, and we focus instead on its long-term (2081–2100) changes. We show that the increase in greenhouse gases (GHG) primarily explains the spatial pattern, magnitude and ensemble spread of the long-term future changes in aridity. On this timescale, the effects of changes in emissions of anthropogenic aerosols are moderate compared to the effects of increases in atmospheric GHG concentrations. Model diversity in the responses to GHG concentration is large over northern Africa and North and South America. We suggest the large uncertainty is due to differences between models in simulating the effects of an increase in GHG concentrations on surface air temperature over the North Atlantic Ocean, on the interhemispheric temperature gradient, and on PET over North and South America.

Environmental Sciences & Ecology↗

DOE OSTI2021

Effect of interfacial structures on phonon transport across atomically precise Si/Al heterojunctions

Phonons are important carriers of energy and information in many cryogenic devices used for quantum information science and in fundamental physics experiments such as dark matter detectors. In these systems phonon behavior can be dominated by interfaces, hence there is increasing demand for a more detailed understanding of interfacial phonon transport in relevant material systems. Previous studies have focused on understanding thermal transport over the entire phonon spectrum at and above room temperature. At ultra-low temperatures, however, knowledge is missing regarding athermal phonon behavior due to the challenge in modeling the extreme conditions in micro-scale, heterogeneous cryogenic systems, as well as extracting single-phonon information from a large ensemble. In this work, we delineate interfacial phonon transport using a combination of classical molecular dynamics (MD) and phonon wave packet simulations, to illustrate the consistency and differences between the ensemble- and single-phonon dynamics. We consider three single-crystal Si surface reconstructions --- (1×1), (v3×v3) and (7×7) --- and model both experimentally observed Si(1×1)/Al interfaces and hypothesized Si(v3×v3)/Al and Si(7×7)/Al interfaces. The overall interfacial thermal conductance calculated from non-equilibrium MD shows that for the Si(1×1)/Al system, the presence of Al twin grain boundaries can hinder phonon transport and reduce thermal conductance by 2--12% relative to single-crystal Al; whereas the Si (v3×v3) and (7×7) reconstructions can enhance it by 6--19%. Normal mode decomposition reveals that both the increase and decrease in conductance are related to inelastic phonon scattering. Single-phonon wave packet simulations show results consistent with NEMD, while further suggesting that phonon polarization conversion is significant even when elastic transmission dominates, and that the interfacial structures have anisotropic impacts on atomic vibrations along different lattice directions. Our findings suggest alternative perspectives in achieving selective phonon transport through controlling interfacial structures of materials with atomically-precise fabrication techniques, and that the phonon wave packet formalism is a potentially powerful method for developing a detailed understanding of non-equilibrium phenomena in the low-temperature limit.

Lu, Zexi↗