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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Microstructure Changes Observed in the Near-Surface Region of SRF Nb Cavities Cutouts upon Cooling/Heating Cycles Using GI-Synchrotron XRD

We have mapped microstructural changes in the near-surface region of Nb from SRF cavity-cutouts upon thermal cycles in the range from 300 to 30 K using grazing incidence synchrotron X-Ray diffraction (GIXRD). Segregation of secondary phases was observed after the thermal cycle, and their nature has been clarified and discussed in view of previous studies on hydrides formation in SRF bulk Nb cavities. The temperature dependence of the relative population of these formed phases was obtained from GIXRD patterns profile fitting. Both, Nb bulk matrix and the new phases formed after cool-down show specific structural features as thermal contraction/expansion, structural transitions, and Nb lattice variation due to the induced strain by precipitates formation. The information derived from this structural study can explain some phenomena as the dissipation at high accelerating field (i.e. High Field Q Slope, HFQS) in the Nb SRF performance as well as new mechanisms never addressed in previous studies.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

Effect of capping layers on the near-surface region of SrVO 3 films

Surfaces of correlated-electron oxides are of significant interest both from fundamental and applied perspectives. Many such oxides feature a near-surface region (NSR) which differs from the bulk’s properties. The NSR can significantly affect the interpretation of the material’s electronic structure, especially for those in thin film form, and have detrimental effects for applications such as field effect devices and catalysts. In this work we study the changes in the composition and electronic structure of the NSR of SrVO 3 (SVO) thin films. We employ x-ray photoelectron spectroscopy (XPS) and compare TiOx-capped SVO films to identical uncapped films that were exposed to ambient conditions. The significant over-oxidation of the SVO surface in the bare film, illustrated by a primary V 5+ component, is prevented by the TiO x layer in the capped film. Furthermore, the capped film further exhibits a decrease in Sr surface phases. These results demonstrate the importance and potential of such capping layers in preserving the bulk properties of correlated oxides in their NSR, enabling more accurate probes for their underlying physics and offering a route for their integration into devices.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Dynamic Restructuring Induced Oxygen Activation on AgCu Near Surface Alloys

Recent studies have shown that the addition of Cu to Ag catalysts improves their epoxidation performance by increasing the overall selectivity of the bimetallic catalyst. We have prepared AgCu near-surface alloys and used scanning tunneling microscopy to gain an atomistic picture of O 2 dissociation on the bimetallic system. These data reveal a higher dissociative sticking probability for O 2 on AgCu than Ag(111), and density functional theory (DFT) confirms that the O 2 dissociation barrier is 0.17 eV lower on the alloy. Surprisingly, we find that after a slow initial uptake of O 2 , the sticking probability increases exponentially. Further DFT calculations indicate that surface oxygen reverses the segregation energy for AgCu, stabilizing Cu atoms in the Ag layer. These single Cu atoms in the Ag surface are found to significantly lower the O 2 dissociation barrier. Altogether, these results explain nonlinear effects in the activation of O 2 on this catalytically relevant surface alloy.

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

Near-Surface Warming Reduces Dew Frequency in China

Long-term (1961-2010) observations of dew data collected at 597 stations over China show that dew frequency decreased by 5.2 days per decade due primarily to near-surface warming and associated decreases in relative humidity (RH). Moreover, the percentage decreasing rate of dew frequency in arid regions (precipitation PR < 400 mm yr -1 ) are larger than that in humid regions (PR ≥ 800 mm yr -1 ). Compared with the 1960s, the mean dew frequency in the 2000s decreased by 28%, 40%, 50% in humid, semi-humid (400 ≤ PR<800 mm yr -1 ), and arid regions, respectively. Surface warming is larger in arid regions in northwestern China than its humid and semi-humid regions during recent global warming, which leads to larger decreases in surface RH and makes dew events less likely. Here, since dew contributes significantly to surface water balance in arid regions, the large decreases in dew frequency may contribute to "the drier getting drier" response to global warming over arid regions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Comparative Evaluation of the Ability of the MYNN‐EDMF PBL Scheme in WRF Model to Reproduce Near Surface Wind Speed Over Different Topographical Types

Abstract This study systematically evaluates the performance of the Mellor‐Yamada‐Nakanishi‐Niino‐Eddy‐Diffusion‐Mass‐Flux planetary boundary layer (PBL) scheme within the Weather Research and Forecasting (WRF) model in simulating near‐surface wind speeds across various topographies in New York State (NYS). Simulated wind speeds are compared with in‐situ measurements from 22 surface sites, grouped into six topographic categories: continental plain (CT), lakeside (LS), river valley (RV), Long Island (LI), Block Island (BI), and offshore ocean (OO). A quantitative evaluation based on Relative Euclidean Distance shows that wind speeds at the OO site are the most accurately reproduced, followed by those at LI sites, while the model performs less accurately for the remaining topographic groups. Wind speeds over CT sites tend to be overestimated by approximately 1 m/s, although their diurnal variability (DV) is well captured. In contrast, the model underestimates wind DV at LS, RV, LI, and BI sites, with the largest biases occurring at LI and BI, resulting in underestimated daytime wind speed and/or overestimated nighttime wind speed. The OO winds exhibit minimal diurnal variation, accurately captured by our WRF model. The surface wind diurnal variation is closely linked to PBL development. Among the indicators of PBL development, surface potential temperature biases most strongly correlate with wind speed biases. Our WRF model faces challenges in capturing the distinctions between winds influenced by local circulations and those over continental plains, and the significantly stronger winds at OO compared to BI. Potential causes for these biases are discussed, offering pathways for improving surface wind simulations in future.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Diagnosing Near-Surface Model Errors with Candidate Physics Parameterization Schemes for the Multiphysics Rapid Refresh Forecast System (RRFS) Ensemble during Winter over the Northeastern United States and Southern Great Plains

Abstract During the winter of 2020/21 an ensemble of FV3-LAM forecasts was produced over the contiguous United States for the Winter Weather Experiment using five physics suites. These forecasts are evaluated with the goal of optimizing physics parameterizations within the future operational Rapid Refresh Forecast System (RRFS) in the Unified Forecast System (UFS) realm and for selecting suitable physics suites for a multiphysics RRFS ensemble. The five physics suites have different combinations of land surface models (LSMs), planetary boundary layer (PBL) parameterizations, and surface layer schemes, chosen from those used in current and possible future operational systems and likely to be supported in the operational UFS. Full-season evaluation reveals a persistent near-surface cold bias in the U.S. Northeast from one suite and a nighttime warm bias in the southern Great Plains in another suite, while other suites have smaller biases. A representative case is chosen to diagnose the cause for each of these biases using sensitivity simulations with different physics combinations or modified parameters and verified with additional mesonet observations. The cold bias in the Northeast is attributed to aspects of the Noah-MP LSM over snow cover, where Noah-MP simulates lower soil water content, and thus lower thermal conductivity than other LSMs, leading to less upward ground heat flux during nighttime and consequently lower surface temperature. The nighttime warm bias found in the southern Great Plains is attributed to overestimation of vertical mixing in the K -profile-based eddy-diffusivity mass-flux (K-EDMF) PBL scheme and insufficient land–atmospheric coupling from the GFS surface layer scheme over short vegetation. A few key parameters driving these systematic biases are identified.

Meteorology & Atmospheric Sciences↗
DOE OSTI2023

Near-surface damage and mixing in Si-Cl 2 -Ar atomic layer etching processes: Insights from molecular dynamics simulations

Silicon-chlorine-argon (Si-Cl 2 -Ar) atomic layer etching (ALE) is simulated using classical molecular dynamics (MD). The simulations provide a detailed view into the near-surface region during ALE processing. Bombardment of Ar + ions creates a mixed amorphous region that significantly differs from the picture of ideal ALE. There is also a significant change in the Si etch yield and the etch product distribution as a function of Ar + ion fluence. The Si etch yield is the highest at the beginning of the bombardment step but eventually decays to the physical sputtering yield. Atomic Cl and silicon chlorides are major etch products at the start of an ion bombardment step, but quickly decay. Atomic Si yields remain relatively constant as a function of Ar + ion fluence. As a result, a new schematic of Si-Cl 2 -Ar ALE is presented in order to emphasize the complex behavior observed in MD simulations.

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

Characterizing major and trace element compositions in fallout melt glass from a near-surface nuclear test

We report the chemical and isotopic compositions of fallout melt glasses from nuclear tests contain a range of information constraining the physical conditions within the fireball and the mechanisms of fallout formation but historic studies tended to exclude the behavior of stable major and trace elements. Here, we present a large study specifically focused on major and trace element relationships within a population of macroscale fallout samples from a single event. We interpret these data to better constrain how fallout melt glass formation in near surface environments is influenced by that environment and demonstrate how major and trace element abundances can provide useful insights into chemical processes within the fireball. Data confirm that the uranium in the fallout glass population derives from two isotopically distinct endmembers: isotopically enriched uranium (presumably from the weapon), and natural composition uranium that may be a combination of anthropogenic and environmental materials from within the blast zone. The similarity between major and trace element concentrations in fallout and corresponding local soils from the event site confirm the local soils as the most probable source of entrained material into the fireball and the source of carrier material into which the bomb vapor was incorporated. The lack of correlation between major and trace element abundances with size indicates that volatility driven processes, such as condensation from the fireball, do not control the composition of macroscale fallout melt glass. Although the fallout has major and trace element chemical characteristics broadly similar to those of the local, associated soils, some systematic differences are observed between the two populations. Fallout melt glass is depleted in volatile elements such as K, Na, Tl and Pb, consistent with heating to temperatures above ~1000 °C for 3-10 s. This is supported by the results of laser heating experiments performed on rhyolitic soil at temperatures (1600-2200 °C) and timescales (1-120 s) that are broadly relevant to fallout formation conditions. Relative enrichments of metals such as Cu and Co do not correlate with the abundance of uranium, suggesting that fallout also records input of near field anthropogenic materials. Our observations suggest that major chemical features can be related to processing in the fireball and used to inform the thermal-chemical evolution of the system. Ultimately, these data are consistent with a fallout formation mechanism that involves rapid melting of surface materials to form carrier material melts with minor incorporation of bomb vapor and a degree of volumetric volatile loss due to heating.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Distribution of Tritium in the Near Surface of Candidate Structural Materials for Fusion Reactors. Type 304L Stainless Steel, Inconel, Hastelloy, Eurofer-97, Oxide Dispersion-Strengthened Alloy 14YWT

Five different candidate structural materials for fusion have undergone pure tritium gas soaking at room temperature and at 310-mbar(a) pressure. The tritium uptake on the surface and in the bulk of the alloys has been analyzed using surface leaching, chemical etching, and thermal desorption. The nickel-based alloys: Inconel-X-750 and Hastelloy-X, absorbed the least amount of total tritium compared with austenitic stainless steel AISI 304L, reduced activation ferritic-martensitic (RAFM) Eurofer-97, and advanced nanoferritic alloy 14YWT. Microstructural analyses using electron backscatter diffraction (EBSD) indicate that the number of grains and mean grain size is not a dominant factor in near surface tritium uptake. The quantity of iron dissolved in the surface oxide appears to be the major factor in encouraging tritium absorption.

O'Callaghan, James↗
DOE OSTI2025

Utility of near‐surface phenology in estimating productivity and evapotranspiration across diverse ecosystems

Abstract Agroecosystems, which include row crops, pasture, and grass and shrub grazing lands, are sensitive to changes in management, weather, and genetics. To better understand how these systems are responding to changes, we need to improve monitoring and modeling carbon and water dynamics. Vegetation Indices (VIs) are commonly used to estimate gross primary productivity (GPP) and evapotranspiration (ET), but these empirical relationships are often location and crop specific. There is a need to evaluate if VIs can be effective and, more general, predictors of ecosystem processes through time and across different agroecosystems. Near‐surface photographic (red‐green‐blue) images from PhenoCam can be used to calculate the VI green chromatic coordinate (G CC ) and offer a pathway to improve understanding of field‐scale relationships between VIs and GPP and ET. We synthesized observations spanning 76 site‐years across 15 agroecosystem sites with PhenoCam G CC and GPP or ET estimates from eddy covariance (EC) to quantify interannual variability (IAV) in the relationship between GPP and ET and G CC across. We uncovered a high degree of variability in the strength and slopes of the G CC ∼ GPP and ET relationships (R 2 = 0.1 ‐ 0.9) within and across production systems. Overall, G CC is a better predictor of GPP than ET (R 2 = 0.64 and 0.54, respectively), performing best in croplands (R 2 = 0.91). Shrub‐dominated systems exhibit the lowest predictive power of G CC for GPP and ET but have less IAV in slope. We propose that PhenoCam estimates of G CC could provide an alternative approach for predictions of ecosystem processes.

Environmental Sciences & Ecology↗
DOE OSTI2020

Non-dilute helium-related defect interactions in the near-surface region of plasma-exposed tungsten

We report a systematic energetic analysis of helium-related defect interactions that mediate helium (He) segregation on surfaces of plasma-exposed tungsten at different levels of He ion implantation. We focus on high He fluences that increase the He content in the plasma-exposed material well beyond the dilute limit of He concentration and employ atomic configurations generated by large-scale molecular dynamics simulations of He-implanted tungsten. We perform systematic molecular statics computations of cluster– defect interaction energetics in the highly defect-rich near-surface region of plasma-exposed tungsten for small mobile helium clusters as a function of the cluster distance from the surface. In this region, mobile clusters are also subjected to the stress fields generated by defects such as helium bubbles and other clusters, which govern cluster–defect interactions in addition to the cluster–surface interaction. Based on systematic investigation of individual cluster–defect interactions, we develop a mathematical framework to describe the interaction energy landscapes consisting of elastic interaction potential perturbations to finite-width square-well potentials, where the potential well accounts for cluster trapping by the defect at close range and subsequent coalescence and the perturbation potential is parameterized according to elastic inclusion theory. Superposition of all the relevant interaction potentials provides a comprehensive description of the interaction energy landscape that would be experienced by a small mobile cluster along its migration path toward the plasma-exposed surface at high He fluence. Such descriptions are particularly important for developing atomistically-informed, hierarchical multi-scale models of helium cluster dynamics in plasma-facing materials.

36 MATERIALS SCIENCE↗
DOE OSTI2020

An Unbalanced Sinuous Antenna for Near-Surface Polarimetric Ground-Penetrating Radar

Sinuous antennas are capable of producing ultra-wideband radiation with polarization diversity. This capability makes the sinuous antenna an attractive candidate for UWB polarimetric radar applications. Additionally, the ability of the sinuous antenna to be implemented as a planar structure makes it a good fit for close-in sensing applications such as ground-penetrating radar (GPR). In this work, each arm of a four-port sinuous antenna is operated independently to achieve a quasi-monostatic antenna system capable of polarimetry while separating transmit and receive channels—which is often desirable in GPR systems. The quasi-monostatic configuration of the sinuous antenna reduces system size as well as prevents extreme bistatic angles, which may significantly reduce sensitivity when attempting to detect near-surface targets. A prototype four-port sinuous antenna is fabricated and integrated into a GPR testbed. The polarimetric data obtained with the antenna is then used to distinguish between buried target symmetries.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Developing new analysis tools for near surface radio-based neutrino detectors

The ARIANNA experiment is an Askaryan radio detector designed to measure high-energy neutrino induced cascades within the Antarctic ice. Ultra-high-energy neutrinos above 10 16 eV have an extremely low flux, so experimental data captured at trigger level need to be classified correctly to retain as much neutrino signal as possible. We first describe two new physics-based neutrino selection methods, or "cuts", (the updown and dipole cut) that extend the previously published analysis to a specialized ARIANNA station with 8 antenna channels, which is double the number used in the prior analysis. For a standard trigger with a threshold signal to noise ratio at 4.4, the new cuts produce a neutrino efficiency of > 95% per station-year of operation, while rejecting 99.93% of the background (corresponding to 53 remaining experimental background events). When the new cuts are combined with a previously developed cut using neutrino waveform templates, all background is removed at no change of efficiency. In addition, the neutrino efficiency is extrapolated to 1,000 station-years of operation, obtaining 91%. This work then introduces a new selection method (the deep learning cut) to augment the identification of neutrino events by using deep learning methods and compares the efficiency to the physics-based analysis. The deep learning cut gives 99% signal efficiency per station-year of operation while rejecting 99.997% of the background (corresponding to 2 remaining experimental background events), which are subsequently removed by the waveform template cut at no significant change in efficiency. Here the results of the deep learning cut were verified using measured cosmic rays which shows that the simulations do not introduce artifacts with respect to experimental data. The paper demonstrates that the background rejection and signal efficiency of near surface antennas meets the requirements of a large scale future array, as considered in baseline design of the radio component of IceCube-Gen2.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Resolving Issues Regarding Disposal of Safeguarded Nuclear Materials: Concepts for Near Surface and Intermediate Depth Disposal sites

This document presents two case studies on nuclear waste disposal to explore the safeguards challenges and potential solutions present under each scenario. Both involve the disposal of nuclear materials, either for waste containing safeguarded nuclear materials or waste where safeguards on the nuclear materials have been previously terminated. The first case study is that of a low-level waste (LLW) repository that is situated near the surface. This facility will accept safeguarded nuclear materials for disposal. Examples of this type of activity are rare, but the potential for more facilities of this type is very possible as States become more comfortable with considering safeguards measures in perpetuity on deep geological repositories. The second study extends this to the case of terminated wastes at an intermediate depth disposal site. In this case, the reasons why terminated nuclear materials could be found in these disposal facilities and how obligations under the Comprehensive Safeguards Agreement (CSA) and Additional Protocol (AP) are met when the disposed waste items are intermediate level waste (ILW) or high-level waste (HLW).

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2024

Interplay between charge and spin noise in the near-surface theory of decoherence and relaxation of C 3 v symmetry qutrit spin-1 centers

Decoherence and relaxation of solid-state defect qutrits near a crystal surface, where they are commonly used as quantum sensors, originate from charge and magnetic field noise. A complete theory requires a formalism for decoherence and relaxation that includes all Hamiltonian terms allowed by the defect's point-group symmetry. This formalism, presented here for the C 3 v symmetry of a spin-1 defect in a diamond, silicon carbide, or similar host, relies on a Lindblad dynamical equation and clarifies the relative contributions of charge and spin noise to relaxation and decoherence, along with their dependence on the defect spin's depth and resonant frequencies. The calculations agree with the experimental measurements of Sangtawesin [], and corroborate the importance of charge noise. Published by the American Physical Society 2024

Materials Science↗
DOE OSTI2022

Effect of data assimilation in the Polar WRF with 3DVAR on the prediction of radiation, heat flux, cloud, and near surface atmospheric variables over Svalbard

Although the Polar Weather Research and Forecasting (PWRF) model has been developed for polar environments, simulations of atmospheric states in the polar region still have large uncertainties. Therefore, the effects of data assimilation (DA) to improve forecasts in the polar region were investigated for September 2017 using PWRF and the three-dimensional variational (3DVAR) DA method. The experiments without DA and those with DA assimilating only conventional observations and both conventional observations and satellite radiance data were performed. The forecasts from all experiments both without and with DA underestimated (overestimated) the downward longwave (shortwave) radiation flux due to the underestimation of the amount of Arctic clouds. When satellite radiance data (i.e., the Advanced Microwave Sounding Unit-A (AMSU-A) and Microwave Humidity Sounder (MHS)) were assimilated in addition to conventional observations in the PWRF, the distribution and amount of water vapor became closer to observations, which improves cloud liquid water forecasts. Therefore, when both conventional observations and radiance data were assimilated, the 25–30 h forecast errors of the downward longwave and shortwave radiation fluxes and sensible and latent heat fluxes decreased by 12.7%, 8.1%, 3.2%, and 7.8% with the WSM5 scheme and by 17.1%, 4.7%, 2.5%, and 3.1% with the 2-moment Morrison scheme, respectively, compared to those in the experiments without DA. The forecast errors of the 10 m wind and 2 m temperature with DA were smaller than those without DA at most observation stations. Therefore, the uncertainties of the Arctic forecasts in the PWRF decreased when using DA. To further improve Arctic forecasts, the assimilation of various additional satellite data is necessary.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Near-Surface Layer Perforations as Precursors to Fracture in Accumulative Roll Bonding of a Multilayered Metal Composite

We use micro-computed tomography (µ-CT) to characterize the sizes, shapes, and locations of layer perforation (LP) defects in laminates of copper (Cu) and tantalum (Ta) processed by accumulative roll bonding (ARB). One—termed Cu/Ta—was processed from an initial stacking of seven alternating Cu and Ta sheets, with the exterior sheets being Cu. In the other—termed Ta/Cu—the exterior sheets are Ta. Cu/Ta remained intact during processing and exhibits an approximately uniform spatial distribution of LPs. By contrast, Ta/Cu fractured by longitudinal splitting. LPs in this latter sample are concentrated near the sample surfaces. Moreover, their density increases with decreasing distance to the fracture surface. Furthermore, these findings show that materials undergoing ARB may remain intact, despite profuse formation of LPs, provided that the LPs are uniformly distributed. However, a non-uniform distribution of LPs is correlated with longitudinal splitting.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Energetics of silicon in the bulk and near surfaces of tungsten: a first-principles study

Abstract Siliconization of the tokamak walls is a candidate method to improve plasma confinement in fusion tokamaks containing tungsten plasma facing components (W PFCs). To understand the interactions of silicon (Si) with W, the Si behavior in bulk W, and near three low-index W surfaces ((100), (110) and (111)) has been investigated using first-principles density functional theory. In bulk W, Si interstitial atoms have a low solution ability and high mobility, and Si atoms can be strongly trapped by W vacancies. The interaction between two Si adatoms is responsible for the stability of adatom superstructures on W surfaces, consistent with previous experimental observation (Tsong and Casanova 1981 Phys. Rev. Lett. 47 113). Although the coverage dependence of Si adsorption and diffusion energetics on surfaces is related to surface orientation, the W(110) surface has lower Si adsorption affinity and higher Si diffusivity than either the W(111) or W(100) surfaces. The most stable Si adatom superstructure on W surfaces is: square c(2 × 2) pattern on W(100) covered with 0.5 ML Si; rectangular c(4 × 2) pattern on W(110) with 0.25 ML Si; and rhombus p(1 × 1) pattern on W(111) with 1 ML Si. The coverage dependence of Si mobility on/toward W surfaces is generally related to the stability of the Si superstructures as a function of coverage on each surface. Interestingly, Si adatoms prefer to transport below the surface and into W subsurface by an exchange mechanism with W atoms, indicating the likelihood of epitaxial growth of W silicide layers on W surfaces during the operation of W PFCs.

Yang, L. (ORCID:0000000322166071)↗