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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 OSTI2025

Investigating the Global Biogeophysical Impact of Area and Mass Based Wood Harvest in a Vegetation Demography Model

Wood harvesting alters land surface properties and energy redistribution, but there is a lack of studies estimating these changes on a global scale. We coupled a vegetation demographic model, the Functionally Assembled Terrestrial Ecosystem Simulator, with the E3SM land model to perform offline model simulation to investigate the land biogeophysical responses, including canopy coverage, leaf area index, albedo, surface roughness length, and energy fluxes, to historical wood harvest on the global scale. In this study, we found 50% less harvested carbon (C) when choosing the area-based harvest rate as driving data that has not been spatially harmonized, compared to reharmonized mass-based harvesting. By considering the uncertainty from reconstruction of historical wood harvest time series and the choice of wood harvest approach in the model, continuous wood harvest (1850–2015) results in 5%–10% of canopy coverage loss, contributing 0.5%–1% increase of albedo over disturbed land, which is much stronger than a non-demographic land surface model. Changes in energy flux from the wood harvest are negligible (<1%), but the responses of land surface properties vary (up to 30%) due to differences in model structure between the single canopy, sun-shade leaf model and vegetation demographic model.

Shu, Shijie [Lawrence Berkeley National Laboratory↗
DOE OSTI2019

Towards bulk metric reconstruction from extremal area variations

The Ryu–Takayanagi and Hubeny–Rangamani–Takayanagi formulae suggest that bulk geometry emerges from the entanglement structure of the boundary theory. Using these formulae, we build on a result of Alexakis, Balehowsky, and Nachman to show that in four bulk dimensions, the entanglement entropies of boundary regions of disk topology uniquely fix the bulk metric in any region foliated by the corresponding HRT surfaces. More generally, for a bulk of any dimension , knowledge of the (variations of the) areas of two-dimensional boundary-anchored extremal surfaces of disk topology uniquely fixes the bulk metric wherever these surfaces reach. This result is covariant and not reliant on any symmetry assumptions; its applicability thus includes regions of strong dynamical gravity such as the early-time interior of black holes formed from collapse. While we only show uniqueness of the metric, the approach we present provides a clear path towards an explicit spacetime metric reconstruction.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Stochastic 3D reconstruction of cracked polycrystalline NMC particles using 2D SEM data

Li-ion battery performance is strongly influenced by the 3D microstructure of its cathode particles. Cracks within these particles develop during calendaring and cycling, reducing connectivity but increasing reactive surface, making their impact on battery performance complex. Understanding these contradictory effects requires a quantitative link between particle morphology and battery performance. However, informative 3D imaging techniques are time-consuming, costly and rarely available, such that analyses often have to rely on 2D image data. This paper presents a novel stereological approach for generating virtual 3D cathode particles exhibiting crack networks that are statistically equivalent to those observed in 2D sections of experimentally measured particles. Consequently, 2D image data suffices for deriving a full 3D characterization of cracked cathodes particles. Such virtually generated 3D particles could serve as geometry input for spatially resolved electro-chemo-mechanical simulations to enhance our understanding of structure-property relationships of cathodes in Li-ion batteries.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Microstructural Characterization of Nb$_3$Sn Thin Films Using FIB Tomography

The accelerating gradient of N b3Sn superconduct&#x2;ing radiofrequency (SRF) cavities is currently lim&#x2;ited, and the underlying cause remains an open ques&#x2;tion in the field. One leading hypothesis attributes this limitation to the presence of tin-deficient regions within the N b3Sn coating, which can suppress the superheating field. Due to the relatively large co&#x2;herence length of N b3Sn, defects near the surface may significantly interact with the RF field. How&#x2;ever, these subsurface defects have proven difficult to characterize. This research aims to investigate the structure and distribution of subsurface Sn deficient regions to better understand their influence on cavity performance. We employ focused ion beam (FIB) to&#x2;mography to analyze the subsurface microstructure of N b3Sn thin films. This technique enables three&#x2;dimensional reconstruction of both the tin distribu&#x2;tion and the grain structure within the film. By correlating Sn content with grain structure, we find that Sn deficient regions are more prevalent that pre&#x2;viously thought. However, the Sn deficient regions are consistently located below the surface of the film where RF fields are strongly attenuated by supercur&#x2;rent screening and are likely not a limiting factor for cavity performance

Viklund, Eric [Fermilab]↗
DOE OSTI2025

Monolayer TiS 2 Nanosheets on Au(111)–Structural Characterization and Effect of Edge Stability for Shape Control

Transition metal dichalcogenides are promising alternatives to noble metal catalysts, e.g., for (photo-)activation of greenhouse gases or hydrogenations. Herein, a direct synthetic route for 2D TiS 2 nanosheets on Au(111) by titanium deposition in the presence of a mild, organic, non-oxidizing sulfur source is presented. High-resolution scanning tunneling microscopy (STM) is used to gain atomic-level insights into the TiS 2 nanosheet morphology. In contrast to the literature, this protocol gains mostly hexagonal and truncated triangular nanosheets with an increased edge contrast in STM, analog to metallic edge states in MoS 2 . Synchrotron-based photoelectron spectroscopy allows insights into compositional details, specifically to distinguish different S sites on the TiS 2 sheets and other S species on the sample. Further, a minimum size is identified (9 S atoms side length), which underlines the importance of moiré reconstructions for stress relief. The TiS 2 sheets coexist with [Au]Ti 1 S 3 clusters, in which a single gold atom is alloyed into the surface and capped by three S atoms. Together with the finding of a critical sheet size, this points toward on-surface Ostwald ripening as a relevant process in the sheet formation. Ab-initio calculations (density functional theory) underscore that the chemical potential of S is an essential descriptor to maintain shape control.

2D nanomaterials↗
DOE OSTI2026

Reduced fast-ion transport calculations of m = n = 1 fishbone-like instabilities in MAST-U

Fast-ion transport associated with an m = n = 1 fishbone-like burst in MAST-U discharge 47128 is investigated using a reduced guiding-center-based transport model (ORBIT-Kick) constrained by multi-diagnostic measurements. The two-dimensional beam-emission spectroscopy system provides measurements of the core poloidal mode structure and fluctuation amplitude, while EFIT++ reconstructions constrained by the motional Stark effect diagnostic indicate a flat q-profile with q 0 > 1⁠, indicating the absence of a resonant q = 1 surface and supporting a pressure-driven infernal-mode interpretation. Analytic m = n = 1 displacement profiles consistent with the measured core mode structure and equilibrium constraints are used as the mode structure inputs to ORBIT-Kick. The calculations show that the dominant resonances occur between the mode and co-passing fast ions, producing redistribution localized near the magnetic axis. Synthetic neutron camera signals from TRANSP-Kick recover up to 90% of the experimentally observed neutron deficit at the time of peak mode amplitude, indicating that the measured m = n = 1 mode is a dominant contributor to core fast-ion transport. However, the synthetic neutron signals recover rapidly, whereas the measured neutron emission continues to decrease after the peak amplitude. In conclusion, the remaining discrepancy may arise from contributions not included in the present single-harmonic model, including higher-m and higher-n harmonics, multi-harmonic interactions, and additional transport mechanisms, motivating future diagnostic development and modeling efforts to resolve and incorporate these additional contributions.

Wong, Henry H. [University of California, Los Ange↗
DOE OSTI2022

Size Effect of Local Current-Voltage Characteristics of MX 2 Nanoflakes: Local Density of States Reconstruction from Scanning Tunneling Microscopy Experiments

Local current-voltage characteristics for low-dimensional transition-metal dichalcogenides (LDTMD), as well as the reconstruction of their local density of states (LDOS) from scanning tunneling microscopy (STM) experiments, are of fundamental interest and can be useful for advanced applications. Most of the existing models either have limited applicability for complex-shaped LDTMDs (e.g., those based on the Simmons approach) or require solving of an ill-defined integral equation to deconvolute the unknown LDOS (e.g., those based on the Tersoff approach). Using a serial expansion of the Tersoff formulas, we propose a flexible method to reconstruct the LDOS from local current-voltage characteristics measured in STM experiments. We establish a set of key physical parameters, which characterize the tunneling current of a STM-probe–sample contact and the sample LDOS expanded in Gaussian functions. Using a direct variational method coupled with probabilistic analysis, we determine these parameters from the STM experiments for MoS2 nanoflakes with different numbers of layers. The main result is the reconstruction of the LDOS in a relatively wide energy range around the Fermi level, which allows us to gain insight into the local band structure of LDTMDs. The reconstructed LDOS reveal pronounced size effects for the single-layer, two-layer, and three-layer MoS 2 nanoflakes, which we relate to the low dimensionality and strong bending or corrugation of the nanoflakes. We hope that the proposed elaboration of the Tersoff approach, allowing LDOS reconstruction, will be of critical interest for the quantitative description of STM experiments and also of use to better understand the microscopic physical aspects of the surface, strain, and bending contributions to the LDTMDs’ electronic properties.

42 ENGINEERING↗
NASA NTRS1972

Extreme ultraviolet solar images televised in-flight with a rocket-borne SEC vidicon system.

A TV image of the entire sun while an importance 2N solar flare was in progress was recorded in the extreme ultraviolet (XUV) radiation band 171-630 A and was transmitted to ground from an Aerobee-150 rocket on Nov. 4, 1969 using S-band telemetry. The camera tube was a SEC vidicon, with its fiber optic faceplate coated with an XUV-to-visible conversion layer of p-quaterphenyl. The XUV passband was produced by three 1000-A thick aluminum filters in series together with the platinized reflecting surface of the off-axis paraboloid that imaged the sun. A number of images were recorded with integration times between 1/30 sec and 2 sec. Reconstruction of pictures was enhanced by combining several to reduce the noise.

Tousey, R.↗
NASA NTRS1999

Beta in Streamers

Streamers are often described as regions of the corona in which the density is higher than in coronal holes because the plasma is trapped by closed loops of magnetic flux. In contrast, Magnetohydrodynamics (MHD) models of the global corona show that the plasma beta identically equal to 8(pi)p/B(exp 2) > 1 in streamers above approximately 1.2Rs heliocentric height (p=pressure, B=magnetic field strength). There are three recent contributions to this topic. The first is that heating near the cusp further drives Beta up and can result in release of new slow solar wind from the top of the streamer. The second is SOHO/UVCS observations, in combination with a potential field/source surface model of the magnetic field, show beta > 1 above 1.2Rs in a streamer observed near solar sunspot minimum. The third is a magnetic field reconstruction technique (using field deforming algorithms) which was applied both to an isolated active region (AR 7999) and to the Pneuman & Kopp global MHD model. In the active region, beta becomes larger than unity at approximately 1.2Rs. In the Pneuman & Kopp model, beta = 1.0 at the base of the streamer and rises with increasing height, becoming 15-20 at 1.6Rs and 35-55 at 1.7RS. The collective implication of these three results is that beta > 1 everywhere in streamers above approximately 1.2 Rs. Global simulations go on to show that the reason streamers do not simply explode under such high beta conditions is that they are held down by pressure from the sides due to the magnetic fields (and low beta) in adjacent coronal holes. The main role of the closed magnetic loops near the cusp is to keep the streamer from continuously leaking plasma, as otherwise happens in a magnetic pinch which is similar but has no closed loops. The purpose of this note is to summarize the results implying that beta > 1 is a general property of streamers above 1.2 Rs.

Suess, Steven T.↗
NASA NTRS2022

Megadroughts in the Common Era and the Anthropocene

Megadroughts, often lasting multiple decades, have caused major ecological and societal disturbances in the past. While most research has focused on megadroughts in North America, the concept has gained increased international attention in recent years. In this Review, we discuss shared causes and features of Common Era and future megadroughts. Paleoclimate reconstructions spanning the last 2,000 years document the occurrence of megadroughts on every continent, save Antarctica. Megadroughts are often linked to decadal variations in sea surface temperatures, with radiative forcing and land-atmosphere interactions acting as secondary factors. Anthropogenic climate change has already contributed to recent megadroughts in southwestern North America and Chile-Argentina and will likely increase future megadrought risk and severity in many regions. Notably, future megadroughts will be differentiated from past events through higher temperatures, which act as the main driver of increased risk, severity, and impacts. Major deficiencies in our understanding of natural and anthropogenic megadrought processes remain, however. These include 1) sparse high-resolution paleoclimate information over some regions, 2) incomplete representations of internal variability and land-surface processes in climate models, and 3) the undetermined capacity of water-resource management systems to manage megadrought impacts. Resolving these key uncertainties will be necessary to increase confidence in projections of future megadrought risk and resiliency planning.

Droughts↗
NASA NTRSDate not supplied

Comparison Between DSMC and CFD for Hypersonic Planetary Entry Simulations

Hypersonic planetary entry flows span a wide range of Knudsen numbers between rarefied and continuum flows. While computational fluid dynamics (CFD) techniques cannot provide an accurate solution for flows in the rarefied regime, the direct simulation Monte Carlo (DSMC) method is capable of providing accurate solutions for flows in both in the rarefied and continuum regimes but becomes prohibitively expensive as the Knudsen number decreases. For the purpose of thermal protection systems (TPS) design and post-flight reconstruction, various selected points along an entry trajectory are often solved using hypersonic solvers. The quantities of interest that are obtained from that exercise are generally surface quantities, such as pressure, heat flux and enthalpy. Then, material response solvers are used to either design the heat shield to an optimal thickness based on a choice of material, or to provide in-depth heating profiles through the material at various select locations, and compare with flight instrumentation such as the ones that flew on NASA’s two most recent Mars missions, MSL and Mars2020. While most of the heating is generally experienced during the continuum part of the entry, the heating within the rarefied regime is significant for some atmospheres, and hence the flow solutions need to be computed using the DSMC method. Ensuring consistency between hypersonic CFD and the DSMC is crucial so that reliable surface quantities can be passed to material response solvers. Studies were performed to compare the two methods at various select locations, for both non-reacting argon flows as well reacting CO2/N2 flows. Preliminary conclusions show that, for non-reacting flows, the agreement between the two methods for surface heating is excellent (within expected uncertainties) for a freestream Knudsen number of 0.0006, and gets progressively worse as the Knudsen number increases to 0.06. Continuum breakdown analyses were performed and showed that, in general, the Gradient Length Local Knudsen number (KnGLL) from Boyd [1] and associated criteria (KnGLL > 0.05) can be accurately used to predict zones of breakdown in the flow, and associated errors for surface quantities. Furthermore, when studying reacting flow, our studies showed that while flow quantities are highly dependent on relaxation parameters and chemistry rates, it is possible to obtain a good agreement for surface heating, as long as the continuum breakdown in minimal (see Fig. 1). Finally, we studied the impact of the grid refinement on the surface quantities in DSMC.

DSMC↗
NASA NTRSDate not supplied

Comparison Between DSMC and CFD for Hypersonic Planetary Entry Simulations

Hypersonic planetary entry flows span a wide range of Knudsen numbers between rarefied and continuum flows. While computational fluid dynamics (CFD) techniques cannot provide an accurate solution for flows in the rarefied regime, the direct simulation Monte Carlo (DSMC) method is capable of providing accurate solutions for flows in both in the rarefied and continuum regimes but becomes prohibitively expensive as the Knudsen number decreases. For the purpose of thermal protection systems (TPS) design and post-flight reconstruction, various selected points along an entry trajectory are often solved using hypersonic solvers. The quantities of interest that are obtained from that exercise are generally surface quantities, such as pressure, heat flux and enthalpy. Then, material response solvers are used to either design the heat shield to an optimal thickness based on a choice of material, or to provide in-depth heating profiles through the material at various select locations, and compare with flight instrumentation such as the ones that flew on NASA’s two most recent Mars missions, MSL and Mars2020. While most of the heating is generally experienced during the continuum part of the entry, the heating within the rarefied regime is significant for some atmospheres, and hence the flow solutions need to be computed using the DSMC method. Ensuring consistency between hypersonic CFD and the DSMC is crucial so that reliable surface quantities can be passed to material response solvers. Studies were performed to compare the two methods at various select locations, for both non-reacting argon flows as well reacting CO2/N2 flows. Preliminary conclusions show that, for non-reacting flows, the agreement between the two methods for surface heating is excellent (within expected uncertainties) for a freestream Knudsen number of 0.0006, and gets progressively worse as the Knudsen number increases to 0.06. Continuum breakdown analyses were performed and showed that, in general, the Gradient Length Local Knudsen number (KnGLL) from Boyd and associated criterion (KnGLL > 0.05) seems conservative in predicting zones of breakdown in the flow, and associated errors for surface quantities. Updated criteria of KnGLL = 2.0 and 0.5 appear to be more appropriate for surface and flow quantities, respectively. Furthermore, when studying reacting flows, our studies showed that while flow quantities are highly dependent on relaxation parameters and chemistry rates, it is possible to obtain a good agreement for surface heating, as long as the continuum breakdown is minimal.

DSMC↗
DOE OSTI2022

Crucible Melter Simulation in Nek5000

Nuclear tank waste at the Hanford site is slated for vitrification in large scale refractory-lined melters to transform it into a stable borosilicate waste form suitable for long-term storage or disposal. Molten glass corrodes the refractory lining over time at a rate correlated to the velocity of molten glass against the refractory-lined wall. To properly design a melter and plan for maintenance, it is necessary to accurately model the glass flow and find the correlation between flow velocity and corrosion rate. This modeling was started in STAR-CCM+ CFD software and is being continued in Nek5000 for its fast-running and quick turnaround code. This poster explains the basic process of reconstructing the geometry, fluid properties, and heating of test melters in Nek5000. The geometry is imported from a mesh file and boundary conditions assigned based on surface IDs. The fluid properties are set in the .par and .usr case files. The heating of the actual crucibles in joule heating with electrodes but simulated in Nek5000 with a volumetric heat source term. This volumetric heat source is fit to the actual heating profile with piecewise polynomials and exponentials. Basic results and verification methods are explained in the poster, as well as further work that must be done to complete modeling.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Ultrafast formation of domain walls of a charge density wave in SmTe 3

We study ultrafast x-ray diffraction on the charge density wave (CDW) of SmTe 3 using an x-ray free-electron laser. The high momentum and time resolution afforded by the x-ray laser enabled capturing fine wave-vector and time-dependent features of the CDW that originate from fast (in time) and sharp (in real space) variations of the CDW lattice distortion, which we attribute to an inversion of the order parameter. These domain inversions occur near the surface and are caused by the short penetration depth of the near-infrared pump with the wavelength centered at 800 nm, resulting in CDW domain walls perpendicular to the sample surface. These domain walls break the CDW long-range order on the scale of the x-ray probe depth, controlled experimentally by the x-ray incidence angle and suppress the diffraction intensity of the CDW for times much longer than the ~1–ps recovery of the electronic gap observed in time and angle-resolved photoemission spectroscopy. We model the spatial and temporal dependences of the order parameter using a simple Ginzburg-Landau model with all the parameters obtained from the published literature. We find reasonable agreement between the calculated and the measured diffraction across the momentum, time, fluence, and incidence angle dependence without adjusting any parameters. In conclusion, we reconstruct the spatial and temporal dependences of the lattice order parameter and find that at long times, depending on the pump fluence, multiple domain walls remain at distances of a few nanometers from the surface.

36 MATERIALS SCIENCE↗
NASA NTRS2011

Experiments in Reconstructing Twentieth-Century Sea Levels

One approach to reconstructing historical sea level from the relatively sparse tide-gauge network is to employ Empirical Orthogonal Functions (EOFs) as interpolatory spatial basis functions. The EOFs are determined from independent global data, generally sea-surface heights from either satellite altimetry or a numerical ocean model. The problem is revisited here for sea level since 1900. A new approach to handling the tide-gauge datum problem by direct solution offers possible advantages over the method of integrating sea-level differences, with the potential of eventually adjusting datums into the global terrestrial reference frame. The resulting time series of global mean sea levels appears fairly insensitive to the adopted set of EOFs. In contrast, charts of regional sea level anomalies and trends are very sensitive to the adopted set of EOFs, especially for the sparser network of gauges in the early 20th century. The reconstructions appear especially suspect before 1950 in the tropical Pacific. While this limits some applications of the sea-level reconstructions, the sensitivity does appear adequately captured by formal uncertainties. All our solutions show regional trends over the past five decades to be fairly uniform throughout the global ocean, in contrast to trends observed over the shorter altimeter era. Consistent with several previous estimates, the global sea-level rise since 1900 is 1.70 +/- 0.26 mm/yr. The global trend since 1995 exceeds 3 mm/yr which is consistent with altimeter measurements, but this large trend was possibly also reached between 1935 and 1950.

Ray, Richard D.↗
NASA NTRS2016

Supersonic Flight Dynamics Test 2: Trajectory, Atmosphere, and Aerodynamics Reconstruction

The Supersonic Flight Dynamics Test is a full-scale flight test of aerodynamic decelerator technologies developed by the Low Density Supersonic Decelerator technology demonstration project. The purpose of the project is to develop and mature aerodynamic decelerator technologies for landing large-mass payloads on the surface of Mars. The technologies include a Supersonic Inflatable Aerodynamic Decelerator and supersonic parachutes. The first Supersonic Flight Dynamics Test occurred on June 28th, 2014 at the Pacific Missile Range Facility. The purpose of this test was to validate the test architecture for future tests. The flight was a success and, in addition, was able to acquire data on the aerodynamic performance of the supersonic inflatable decelerator. The Supersonic Disksail parachute developed a tear during deployment. The second flight test occurred on June 8th, 2015, and incorporated a Supersonic Ringsail parachute which was redesigned based on data from the first flight. Again, the inflatable decelerator functioned as predicted but the parachute was damaged during deployment. This paper describes the instrumentation, analysis techniques, and acquired flight test data utilized to reconstruct the vehicle trajectory, main motor thrust, atmosphere, and aerodynamics.

Karlgaard, Christopher D.↗
DOE OSTI2018

Formation of self-assembled gold nanoparticle supercrystals with facet-dependent surface plasmonic coupling

Metallic nanoparticles, such as gold and silver nanoparticles, can self-assemble into highly ordered arrays known as supercrystals for potential applications in areas such as optics, electronics, and sensor platforms. Here we report the formation of self-assembled 3D faceted gold nanoparticle supercrystals with controlled nanoparticle packing and unique facet-dependent optical property by using a binary solvent diffusion method. The nanoparticle packing structures from specific facets of the supercrystals are characterized by small/wide-angle X-ray scattering for detailed reconstruction of nanoparticle translation and shape orientation from mesometric to atomic levels within the supercrystals. We discover that the binary diffusion results in hexagonal close packed supercrystals whose size and quality are determined by initial nanoparticle concentration and diffusion speed. The supercrystal solids display unique facet-dependent surface plasmonic and surface-enhanced Raman characteristics. The ease of the growth of large supercrystal solids facilitates essential correlation between structure and property of nanoparticle solids for practical integrations.

36 MATERIALS SCIENCE↗
DOE OSTI2020

The role of Northeast Pacific meltwater events in deglacial climate change

Columbia River megafloods occurred repeatedly during the last deglaciation, but the impacts of this fresh water on Pacific hydrography are largely unknown. To reconstruct changes in ocean circulation during this period, we used a numerical model to simulate the flow trajectory of Columbia River megafloods and compiled records of sea surface temperature, paleo-salinity, and deep-water radiocarbon from marine sediment cores in the Northeast Pacific. The North Pacific sea surface cooled and freshened during the early deglacial (19.0-16.5 ka) and Younger Dryas (12.9-11.7 ka) intervals, coincident with the appearance of subsurface water masses depleted in radiocarbon relative to the sea surface. We infer that Pacific meltwater fluxes contributed to net Northern Hemisphere cooling prior to North Atlantic Heinrich Events, and again during the Younger Dryas stadial. Abrupt warming in the Northeast Pacific similarly contributed to hemispheric warming during the Bølling and Holocene transitions. These findings underscore the importance of changes in North Pacific freshwater fluxes and circulation in deglacial climate events.

54 ENVIRONMENTAL SCIENCES↗