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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 1,603 records · Page 89
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Predicting the Evolution of Shallow Cumulus Clouds With a Lotka‐Volterra Like Model

Abstract In numerical weather prediction and climate models, boundary‐layer clouds are controlled by a wide range of subgrid‐scale processes. However, understanding the nature of these processes and their role in the evolution of the cloud size distribution as a whole has been elusive. To address this issue, we adopt a novel empirical framework from the field of population dynamics to model the evolution of cloud size statistics by using the shallow cumulus properties obtained from a large‐eddy simulation (LES). Our approach involves representing the cloud size distribution and the total cloud area using a revised Lotka‐Volterra model and ridge linear model, respectively. The physical interpretation of the total cloud area and coefficients obtained from the optimization of the models reveals three stages probably interpreted by dominant processes: the formation of new clouds, the growth of single clouds, and a steady state with organized transitions involving the growth and decay of multiple clouds. Furthermore, we showcase the potential of this framework to serve as a component of scale‐aware parameterizations of shallow‐convective clouds in atmospheric models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

A Mass‐Conserving‐Perceptron for Machine‐Learning‐Based Modeling of Geoscientific Systems

Although decades of effort have been devoted to building Physical-Conceptual (PC) models for predicting the time-series evolution of geoscientific systems, recent work shows that Machine Learning (ML) based Gated Recurrent Neural Network technology can be used to develop models that are much more accurate. However, the difficulty of extracting physical understanding from ML-based models complicates their utility for enhancing scientific knowledge regarding system structure and function. Here, we propose a physically interpretable Mass-Conserving-Perceptron (MCP) as a way to bridge the gap between PC-based and ML-based modeling approaches. The MCP exploits the inherent isomorphism between the directed graph structures underlying both PC models and GRNNs to explicitly represent the mass-conserving nature of physical processes while enabling the functional nature of such processes to be directly learned (in an interpretable manner) from available data using off-the-shelf ML technology. As a proof of concept, we investigate the functional expressivity (capacity) of the MCP, explore its ability to parsimoniously represent the rainfall-runoff (RR) dynamics of the Leaf River Basin, and demonstrate its utility for scientific hypothesis testing. To conclude, we discuss extensions of the concept to enable ML-based physical-conceptual representation of the coupled nature of mass-energy-information flows through geoscientific systems.

58 GEOSCIENCES↗
DOE OSTI2024

Exploring the Relative Importance of the MJO and ENSO to North Pacific Subseasonal Predictability

Abstract Here we explore the relative contribution of the Madden‐Julian Oscillation (MJO) and El Niño Southern Oscillation (ENSO) to midlatitude subseasonal predictive skill of upper atmospheric circulation over the North Pacific, using an inherently interpretable neural network applied to pre‐industrial control runs of the Community Earth System Model version 2. We find that this interpretable network generally favors the state of ENSO, rather than the MJO, to make correct predictions on a range of subseasonal lead times and predictand averaging windows. Moreover, the predictability of positive circulation anomalies over the North Pacific is comparatively lower than that of their negative counterparts, especially evident when the ENSO state is important. However, when ENSO is in a neutral state, our findings indicate that the MJO provides some predictive information, particularly for positive anomalies. We identify three distinct evolutions of these MJO states, offering fresh insights into opportune forecasting windows for MJO teleconnections.

58 GEOSCIENCES↗
DOE OSTI2025

Prediction of Complex Observed Shear Wave Splitting Patterns at Ryukyu Subduction Zone Using a Strong Intra-Slab Anisotropy Model

Complex shear wave splitting (SWS) patterns in subduction zones are often interpreted geodynamically as resulting from complex mantle flow; however, this may not always be necessary. We analyzed 7,093 high-quality SWS measurements from teleseismic S waves recorded by Hi-net stations across the Ryukyu arc in Japan. Our findings show a systematic rotation of the fast S polarization from trench-parallel to trench-perpendicular depending on the earthquake backazimuth. For the same earthquake, the measured splitting patterns also vary spatially across the southwest Japan. Using full-wave seismic modeling, we showed that a dipping slab with ~30% shear anisotropy of the tilted transverse isotropy (TTI) type, with a symmetry axis perpendicular to the slab interface, can predict the observed delay times and polarization rotation. Our results highlight the importance of considering dipping anisotropic slabs in interpreting SWS at subduction zones.

58 GEOSCIENCES↗
DOE OSTI2025

Is There a Scalar Atmospheric Surface Layer Within a Convective Boundary Layer? Implications for Flux Measurements

Top‐down entrainment shapes the vertical gradients of sensible heat, latent heat, and CO 2 fluxes, influencing the interpretation of eddy covariance (EC) measurements in the unstable atmospheric surface layer (ASL). Using large eddy simulations for convective boundary layer flows, we demonstrate that decreased temperature gradients across the entrainment zone increase entrainment fluxes by enhancing the entrainment velocity, amplifying the asymmetry between top‐down and bottom‐up flux contributions. These changes alter scalar flux profiles, causing flux divergence or convergence and leading to the breakdown of the constant flux layer assumption (CFLA) in the ASL. As a result, EC‐measured fluxes either underestimate or overestimate “true” surface fluxes during divergence or convergence phases, contributing to energy balance non‐closure. The varying degrees of the CFLA breakdown are a fundamental cause for the non‐closure issue. These findings highlight the underappreciated role of entrainment in interpreting EC fluxes, addressing non‐closure, and understanding site‐to‐site variability in flux measurements.

eddy covariance fluxes of scalars↗
DOE OSTI2025

A Unified Analytical Model for Pressure Solution With Fully Coupled Diffusion and Reaction

Abstract Geophysical models for pressure solution are typically developed for diffusion‐controlled or reaction‐controlled scenarios. We present a unified analytical model that considers fully coupled diffusion and reaction during pressure solution. The model recovers the diffusion‐controlled and reaction‐controlled models in the literature as specific limiting cases. When diffusion and reaction exhibit comparable influences, we validate the proposed model against independent numerical simulations. The proposed model is then employed in interpreting experimental measurements, demonstrating a better agreement compared to previous interpretations.

Wang, Ziyan [Energy Geosciences Division Lawrence ↗
DOE OSTI2025

Discovering the Multisectoral Impacts of Global Energy Sector Outcomes Through Multiple Ensemble Aggregation Measures

Understanding complex human-Earth system interactions often involves analyzing large scenario ensembles that encompass a wide range of plausible futures. These ensembles often require aggregation to summarize information based on specific criteria or conditions. However, previous research using global change scenario ensembles has largely overlooked how the choice of aggregation method influences the interpretation of results. To address this gap, we leverage a large ensemble data set designed to capture broad energy system dynamics generated using the Global Change Analysis Model. We first explore how energy-related uncertainties are propagated to both global and regional water-energy-food sectors. We then conduct a rank correlation analysis across seven ensemble aggregation measures and demonstrate the need to consider multiple measures in global change scenarios. Our results suggest that global water and food sector outcomes in the 21st century vary widely depending on different scenario assumptions. The global energy productivity is projected to improve by the end of the century across all scenarios. Moreover, regions facing water scarcity challenges in 2100 do not always overlap with those facing extreme energy and food sector outcomes. Although rank correlations across seven aggregation measures are relatively stable across sectors, we identify cases where relying on a single measure leads to losing critical information in the full ensemble. Reliance on a single aggregation measure can distort the interpretation of global change scenario outcomes. Instead, adopting multiple ensemble aggregation measures provides a more holistic understanding of global change scenario ensembles.

Kim, Gijoo↗
DOE OSTI2026

Amapari Marker Band Metal‐Enrichments: Potential Mechanisms and Implications for Surface and Subsurface Water and Weathering in Gale Crater

NASA's Curiosity rover is exploring a 5 km tall sedimentary mound that is hypothesized to record the transition from a warm and wet (phyllosilicate-rich) to a cold and drier (sulfate-rich) Mars. Evidence of magnesium sulfate-bearing rock has shown that Curiosity has crossed through this phyllosilicate-sulfate transition. Recently, Curiosity arrived at the Amapari Marker Band, a darker, indurated unit that can be traced laterally for tens of kilometers in orbiter images. Here, Curiosity found evidence for a very broad lake, and bedforms interpreted as wave-ripple laminated sedimentary rock that likely was deposited in shallow water in the explored location, before becoming a deeper lake. These rocks are enriched in Fe, Mn, and Zn which has major implications for groundwater paleohydrology in Gale crater. Three formation hypotheses are considered: concretion formation during early diagenetic alteration of shallow lake sediments, laterization or leaching of the sediments, and addition of Fe, Mn, and Zn by a mildly acidic and reducing groundwater interacting with a redox and/or pH front in a stratified lake. The preferred interpretation of the metal enrichments within the Amapari Marker band sedimentary rocks is that they formed in a shallow water environment at a redox and/or pH front within the ripple unit, which drove precipitation and concentration of metals. If the enrichments are due to groundwater alteration, these processes could link subsurface and surface environments. Water and the presence of high amounts of redox sensitive elements and other metals are favorable indicators for habitability.

58 GEOSCIENCES↗
DOE OSTI2026

Geophysical Impacts and Spectroscopic Identification of a Hydrous Iron Sulfate on Icy Worlds

Over geologic time-scales, large volumes of exogenic sulfur ions from Io's plasma torus have been supplied to the surface of Europa and Ganymede, which, combined with recent interpretations of orbiter images, dynamical modeling, and surface-subsurface exchange, suggests further sulfur transport into the interior of the icy worlds. These observations motivate mixed-phase spectral modeling for interpreting orbiter spectroscopy data and determination of hydration states of candidate surface materials including hydrous sulfates. In this work, we present a combined experimental and theoretical study of the low temperature and high pressure vibrational spectral signature of the iron-sulfate monohydrate endmember, szomolnokite (FeSO 4 ·H 2 O). By employing synchrotron Fourier-transform infrared spectroscopy (FTIR) in the diamond anvil cell up to 23 GPa and down to 20 K, we explore the extreme range of pressure-temperature domains relevant to icy environments throughout our solar system and beyond. Combined with our density-functional theory quantum-mechanics molecular dynamics results, we demonstrate that experimentally observed infrared features in the O-H stretching region commonly associated with nH 2 O (n > 1) hydration states can be attributed to a pure monohydrate without the need for pressure-induced exsolved ice, other coexisting hydrous iron sulfates, or strong overtone and combination modes. We further discuss the possibility of lateral variations in density and shear properties on icy worlds associated with temperature variations and the high-pressure phases of kieserite group monohydrated sulfates.

Geosciences↗
DOE OSTI2014

Measurement of parity violation in electron–quark scattering

Symmetry permeates nature and is fundamental to all laws of physics. One example is parity (mirror) symmetry, which implies that flipping left and right does not change the laws of physics. Laws for electromagnetism, gravity and the subatomic strong force respect parity symmetry, but the subatomic weak force does not1, 2. Historically, parity violation in electron scattering has been important in establishing (and now testing) the standard model of particle physics. One particular set of quantities accessible through measurements of parity-violating electron scattering are the effective weak couplings C2q, sensitive to the quarks’ chirality preference when participating in the weak force, which have been measured directly3, 4 only once in the past 40 years. Here we report a measurement of the parity-violating asymmetry in electron–quark scattering, which yields a determination of 2C2u-C2d (where u and d denote up and down quarks, respectively) with a precision increased by a factor of five relative to the earlier result. These results provide evidence with greater than 95 per cent confidence that the C2q couplings are non-zero, as predicted by the electroweak theory. They lead to constraints on new parity-violating interactions beyond the standard model, particularly those due to quark chirality. Whereas contemporary particle physics research is focused on high-energy colliders such as the Large Hadron Collider, our results provide specific chirality information on electroweak theory that is difficult to obtain at high energies. Our measurement is relatively free of ambiguity in its interpretation, and opens the door to even more precise measurements in the future.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Large historical growth in global terrestrial gross primary production

Growth in terrestrial gross primary production (GPP) may provide a negative feedback for climate change. It remains uncertain, however, to what extent biogeochemical processes can suppress global GPP growth. In consequence, model estimates of terrestrial carbon storage and carbon cycle –climate feedbacks remain poorly constrained. Here we present a global, measurement-based estimate of GPP growth during the twentieth century based on long-term atmospheric carbonyl sulphide (COS) records derived from ice core, firn, and ambient air samples. Here, we interpret these records using a model that simulates changes in COS concentration due to changes in its sources and sinks, including a large sink that is related to GPP. We find that the COS record is most consistent with climate-carbon cycle model simulations that assume large GPP growth during the twentieth century (31% ± 5%; mean ± 95% confidence interval). Finally, while this COS analysis does not directly constrain estimates of future GPP growth it provides a global-scale benchmark for historical carbon cycle simulations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Ground-state oxygen holes and the metal–insulator transition in the negative charge-transfer rare-earth nickelates

The metal-insulator transitions and the intriguing physical properties of rare-earth perovskite nickelates have attracted considerable attention in recent years. However, a complete understanding of these materials remains elusive. Here, taking a NdNiO 3 thin film as a representative example, we utilize a combination of x-ray absorption (XAS) and resonant inelastic x-ray scattering (RIXS) spectroscopies to resolve important aspects of the complex electronic structure of the rare-earth nickelates. The unusual coexistence of bound and continuum excitations observed in the RIXS spectra provides strong evidence for the abundance of oxygen 2p holes in the ground state of these materials. Using cluster calculations and Anderson impurity model interpretation, we show that these distinct spectral signatures arise from a Ni 3d 8 configuration along with holes in the oxygen 2p valence band, confirming suggestions that these materials do not obey a “conventional” positive charge-transfer picture, but instead exhibit a negative charge-transfer energy, in line with recent models interpreting the metal to insulator transition in terms of bond disproportionation.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Adsorbate-induced lattice deformation in IRMOF-74 series

Here, IRMOF-74 analogues are among the most widely studied metal-organic frameworks (MOFs) for adsorption applications because of their one-dimensional channels and high metal density. Most studies involving the IRMOF-74 series assume that the crystal lattice is rigid. This assumption guides the interpretation of experimental data, as changes in the crystal symmetry have so far been ignored as a possibility in the literature. Here, we report a deformation pattern, induced by the adsorption of argon, for IRMOF-74-V. This work has two main implications. First, we use molecular simulations to demonstrate that the IRMOF-74 series undergoes a deformation that is similar to the mechanism behind breathing MOFs, but is unique because the deformation pattern extends beyond a single unit cell of the original structure. Second, we provide an alternative interpretation of experimental small-angle X-ray scattering profiles of these systems, which changes how we view the fundamentals of adsorption in this MOF series.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Shock-transformation of whitlockite to merrillite and the implications for meteoritic phosphate

Meteorites represent the only samples available for study on Earth of a number of planetary bodies. The minerals within meteorites therefore hold the key to addressing numerous questions about our solar system. Of particular interest is the Ca-phosphate mineral merrillite, the anhydrous end-member of the merrillite-whitlockite solid solution series. For example, the anhydrous nature of merrillite in Martian meteorites has been interpreted as evidence of water-limited late-stage Martian melts. However, recent research on apatite in the same meteorites suggests higher water content in melts. One complication of using meteorites rather than direct samples is the shock compression all meteorites have experienced, which can alter meteorite mineralogy. Here we show whitlockite transformation into merrillite by shock-compression levels relevant to meteorites, including Martian meteorites. The results open the possibility that at least part of meteoritic merrillite may have originally been H + -bearing whitlockite with implications for interpreting meteorites and the need for future sample return.

58 GEOSCIENCES↗
DOE OSTI2017

Modelling heterogeneous interfaces for solar water splitting

The generation of hydrogen from water and sunlight offers a promising approach for producing scalable and sustainable carbon-free energy. The key of a successful solar-to-fuel technology is the design of efficient, long-lasting and low-cost photoelectrochemicalcells (PECs), which are responsible for absorbing sunlight and driving water splitting reactions. To this end, a detailed understanding and control of heterogeneous interfaces between photoabsorbers, electrolytes and catalysts present in PECs is essential. This paper reviews recent progress and open challenges in predicting physicochemical properties of heterogeneous interfaces for solar water splitting applications using first-principles-based approaches, and highlights the key role of these calculations in interpreting increasingly complex experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Trait-based patterns of microbial dynamics in dormancy potential and heterotrophic strategy: case studies of resource-based and post-press succession

Understanding the relationship between microbial community structure and function is a major challenge in microbial ecology. Recent work has shown that community weighted mean 16S rRNA gene copies, as a proxy for heterotrophic growth strategy, is a microbial community trait that decreases predictably over successional trajectories that are underpinned by changes in resource availability. However, it has been challenging to identify other microbial traits that are predictive of community functions and have consistent patterns with succession. Trait-based patterns of secondary succession (e.g., after a disturbance) are less often considered, and these responses may be underpinned by abiotic drivers other than changes in resources. In this perspectives piece, we present hypotheses about microbial traits important for microbial succession in resource-based and post-press disturbance scenarios, as synthesized from previous works and extended within this work. Using four case studies, we compare two traits, heterotrophic strategy and dormancy potential, and two different types of succession, resource-based (endogenous heterotrophic) and post-press. There were decreases in weighted ribosomal operon counts and in dormancy genes over resource-based succession. Both traits also were lower in post-press succession as compared to reference conditions, but increased with time from disturbance. Thus, dormancy potential may be an additional trait that changes predictably with succession. Finally, considering changes in microbial community traits over post-press succession is as important as over resource-based succession. These patterns need to be interpreted carefully and reference and recovering samples can be collected to improve interpretation of changes in community traits over post-press succession.

Environmental Sciences & Ecology↗
DOE OSTI2021

Laboratory disruption of scaled astrophysical outflows by a misaligned magnetic field

The shaping of astrophysical outflows into bright, dense, and collimated jets due to magnetic pressure is here investigated using laboratory experiments. Here we look at the impact on jet collimation of a misalignment between the outflow, as it stems from the source, and the magnetic field. For small misalignments, a magnetic nozzle forms and redirects the outflow in a collimated jet. For growing misalignments, this nozzle becomes increasingly asymmetric, disrupting jet formation. Our results thus suggest outflow/magnetic field misalignment to be a plausible key process regulating jet collimation in a variety of objects from our Sun’s outflows to extragalatic jets. Furthermore, they provide a possible interpretation for the observed structuring of astrophysical jets. Jet modulation could be interpreted as the signature of changes over time in the outflow/ambient field angle, and the change in the direction of the jet could be the signature of changes in the direction of the ambient field.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Real-time 3D analysis during electron tomography using tomviz

The demand for high-throughput electron tomography is rapidly increasing in biological and material sciences. However, this 3D imaging technique is computationally bottlenecked by alignment and reconstruction which runs from hours to days. We demonstrate real-time tomography with dynamic 3D tomographic visualization to enable rapid interpretation of specimen structure immediately as data is collected on an electron microscope. Using geometrically complex chiral nanoparticles, we show volumetric interpretation can begin in less than 10 minutes and a high-quality tomogram is available within 30 minutes. Real-time tomography is integrated into tomviz, an open-source and cross-platform 3D data analysis tool that contains intuitive graphical user interfaces (GUI), to enable any scientist to characterize biological and material structure in 3D.

36 MATERIALS SCIENCE↗