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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 1,171 records · Page 65
All sourcesNASA NTRSDOE OSTI
NASA NTRS2008

Spatial and Temporal Inter-Relationships between Anomalies and Trends of Temperature, Moisture, Cloud Cover, and OLR as Observed by AIRS/AMSU on Aqua

AIRS/AMSU is the advanced IR/MW atmospheric sounding system launched on EOS Aqua in May 2002. Products derived from AIRS/AMSU by the AIRS Science Team include surface skin temperature and atmospheric temperature profiles; atmospheric humidity profiles, fractional cloud cover and cloud top pressure, and OLR. Products covering the period September 2002 through the present have been derived from AIRS/AMSU using the AIRS Science Team Version 5 retrieval algorithm. In this paper, we will show results covering the time period September 2006 - November 2008. This time period is marked by a substantial warming trend of Northern Hemisphere Extratropical land surface skin temperatures, as well as pronounced El Nino - La Nina episodes. These both influence the spatial and temporal anomaly patterns of atmospheric temperature and moisture profiles, as well as of cloud cover and Clear sky and All Sky OLR. The relationships between temporal and spatial anomalies of these parameters over this time period, as determined from AIRS/AMSU observations, will be shown, with particular emphasis on which contribute significantly to OLR anomalies in each of the tropics and extra-tropics. Results will also be shown to validate the anomalies and trends of temperature profiles and OLR as determined from analysis of AIRS/AMSU data. Global and regional trends during the 6 1/3 year period are not necessarily indicative of what has happened in the past, or what may happen in the future. Nevertheless, the inter-relationships of spatial and temporal anomalies of atmospheric geophysical parameters with those of surface skin temperature are indicative of climate processes, and can be used to test the performance of climate models when driven by changes in surface temperatures.

Susskind, Joel↗
DOE OSTI2021

Building Trustworthy Machine Learning Models for Astronomy

Astronomy is entering an era of data-driven discovery, due in part to modern machine learning (ML) techniques enabling powerful new ways to interpret observations. This shift in our scientific approach requires us to consider whether we can trust the black box. Here, we overview methods for an often-overlooked step in the development of ML models: building community trust in the algorithms. Trust is an essential ingredient not just for creating more robust data analysis techniques, but also for building confidence within the astronomy community to embrace machine learning methods and results.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Multi-Probe 24A: Post shot Data and Analysis

The Multi-Probe 24A experiments took place on the Omega EP laser in November 2023. The experiments consisted of shots alternating between Omega EP’s two short-pulse laser beams to generate proton and deuteron ion beams from a range of film thicknesses, and x-ray sources from the established CPC+Ta wire targets. The backlighter was used for ion acceleration in the pitcher series, in which deuteron and proton beams characterized as a function of CD film thickness to develop a pitcher for a pitcher-catcher neutron radiographic source, while also characterizing electrons and x-rays emitted perpendicular to the target (i.e. Crosstalk for sidelighter-driven x-ray beams). The sidelighter was used for electron acceleration in the x-ray series, in which the electron acceleration and subsequent x-rays was characterized from the CPC+Ta wire targets and radiography was conducted with and without electro-magnetic electron defection. For the pitcher series, we found that at 500 J and 0.7 ps the 700-800 nm CD films yielded the greatest number and highest energy for both protons and deuterons. For the x-ray series, results demonstrated: a significant number of <100 keV x-rays are produced within the glue that fills the CPC cone, on-axis electron signal from the x-ray targets produce electrons resolvable up to ~10 MeV, and electron deflection (using MIFEDS) has a notable effect radiograph on noise reduction.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Generalizable machine learning potentials for quantum-accurate predictions of non-equilibrium behavior in 2D materials

Machine learning interatomic potentials (ML-IAPs) are emerging as transformative tools in materials modeling, promising quantum-level accuracy at a fraction of the computational cost. However, their ability to generalize beyond equilibrium configurations and to reliably capture defect- and temperature-driven behavior remains underexplored. Here, we develop and benchmark two state-of-the-art ML-IAPs, Spectral Neighbor Analysis Potential (SNAP) and Allegro, on a comprehensive dataset for monolayer MoSe₂. Using density functional theory (DFT) as the reference, we evaluate their performance in capturing stress–strain behavior, phase transition energetics, defect evolution, edge stability, and fracture toughness. Allegro, a deep equivariant neural network potential, surpasses both SNAP and the classical Tersoff potential in accuracy, efficiency, and transferability. Importantly, both ML potentials accurately reproduce experimental fracture measurements and ab initio predictions of inversion domain formation—phenomena well beyond their training sets. Our findings establish ML-IAPs as viable replacements for traditional force fields in the study of non-equilibrium mechanical phenomena, enabling large-scale, high-fidelity simulations in 2D materials and beyond. In conclusion, this work provides a broadly applicable framework for data-driven modeling of structural and functional transformations under extreme conditions.

2D materials↗
DOE OSTI2021

Audacity of huge: overcoming challenges of data scarcity and data quality for machine learning in computational materials discovery

Machine learning (ML)-accelerated discovery requires large amounts of high-fidelity data to reveal predictive structure–property relationships. For many properties of interest in materials discovery, the challenging nature and high cost of data generation has resulted in a data landscape that is both scarcely populated and of dubious quality. Data-driven techniques starting to overcome these limitations include the use of consensus across functionals in density functional theory, the development of new functionals or accelerated electronic structure theories, and the detection of where computationally demanding methods are most necessary. When properties cannot be reliably simulated, large experimental data sets can be used to train ML models. In the absence of manual curation, increasingly sophisticated natural language processing and automated image analysis are making it possible to learn structure–property relationships from the literature. Finally, models trained on these data sets will improve as they incorporate community feedback.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Cubic double perovskites host noncoplanar spin textures

Magnetic materials with noncoplanar magnetic structures can show unusual physical properties driven by nontrivial topology. Topologically-active states are often multi-q structures, which are challenging to stabilize in models and to identify in materials. Here, we use inelastic neutron-scattering experiments to show that the insulating double perovskites Ba 2 YRuO 6 and Ba 2 LuRuO 6 host a noncoplanar 3-q structure on the face-centered cubic lattice. Quantitative analysis of our neutron-scattering data reveals that these 3-q states are stabilized by biquadratic interactions. Our study identifies double perovskites as a highly promising class of materials to realize topological magnetism, elucidates the stabilization mechanism of the 3-q state in these materials, and establishes neutron spectroscopy on powder samples as a valuable technique to distinguish multi-q from single-q states, facilitating the discovery of topologically-nontrivial magnetic materials.

36 MATERIALS SCIENCE↗
DOE OSTI2020

A Data-Driven Method for Adaptive Reserve Requirement Estimation via Probabilistic Net Load Forecasting

The University of Colorado Boulder Boulder, CO, 80309, USA With the increasing penetration of renewable energy, power systems are subject to more uncertainty. This makes power system reserve scheduling more challenging. Most of the current reserve requirement determination methods calculate reserve requirements based on historical data, which does not consider the real-time or future system uncertainty. In this paper, a data-driven method is developed to determine the non-spinning reserve requirement (NSRR) in the Electric Reliability Council of Texas (ERCOT) system. The method follows the procedure of the current ERCOT method while adaptively determining the NSRR based on probabilistic net load forecasts. Case studies with two years of ERCOT data show that the developed method significantly reduces the NSRR by introducing an adaptive temporal resolution and update rate. Sensitivity analysis with different forecasting and percentile thresholds indicates the flexibility of the developed method.

non-spinning reserve↗
DOE OSTI2023

A General Framework for Human-in-the-Loop Cognitive Digital Twins

Modelling and analysis of systems that are equipped with sensors and connected to the Internet are becoming more automated and less human-dependent. However, bringing expert knowledge into the loop along with data obtained from Internet of Thing (IoT) devices minimizes the risk of making poor and unexplainable decisions and helps to assess the impact of different strategies before applying them in reality. While Digital Twins are more of a data-driven simulation of the physical system, Cognitive Digital Twins bring the human dimension into the modelling and simulation. In this paper, we aim to emphasize the crucial role of explainability and the underlying rationale behind automated or interactive decision-making processes. Furthermore, we propose an initial framework that delineates the specific points within the feedback loop of a cognitive digital twin where human involvement can be incorporated.

Niloofar, Parisa↗
DOE OSTI2025

Evaluating HPC Scheduling Strategies for Urgent Workloads

Scientific computing centers increasingly face workloads with diverse urgency requirements, driven by applications that demand rapid or even immediate execution. Appropriately configured scheduling policies can significantly improve both user satisfaction and overall cluster utilization. In this work, we present a systematic analysis of scheduler configurations under scenarios where a fraction of jobs have urgent computing needs. We evaluate multiple job scheduling simulators, develop a lightweight job-submission emulation framework, and create tools to analyze and visualize the resulting scheduling data. Our study identifies key trade-offs between responsiveness, fairness, and efficiency, and offers a set of practical scheduling configurations (particularly for Slurm) that can be tailored to HPC environments supporting mixed-urgency workloads.

Maheshwari, Ketan [ORNL] (ORCID:000000033800662X)↗
DOE OSTI2021

Lithium-Ion Battery Life Model with Electrode Cracking and Early-Life Break-in Processes

This paper develops a physically justified reduced-order capacity fade model from accelerated calendar- and cycle-aging data for 32 lithium-ion (Li-ion) graphite/nickel-manganese-cobalt (NMC) cells. The large data set reveals temperature-, charge C-rate-, depth-of-discharge-, and state of charge (SOC)-dependent degradation patterns that would be unobserved in a smaller test matrix. Model structure is informed by incremental capacity analysis that shows loss of lithium inventory and cathode-material loss as the dominant capacity fade mechanisms. The model includes terms attributable to solid-electrolyte interface (SEI) growth, electrode cracking, cycling-driven acceleration of SEI growth, and "break-in" mechanisms that slightly decrease or increase available Li inventory early in life. The study explores what mathematical couplings of these mechanisms best describe calendar aging, cycle aging, and mixed calendar/cycle aging. Various approaches are discussed for extracting relevant stress factors from complex cycling profiles to predict lifetime during real-world battery loads using models trained on constant-current laboratory test results. The complexity of the present human-driven model identification process motivates future work in machine learning to more widely search and statistically discern the optimal model that correctly extrapolates capacity fade based on physical knowledge.

25 ENERGY STORAGE↗
NASA NTRS1987

Orbit transfer rocket engine technology program. Phase 2: Advanced engine study

In Phase 2 of the Advanced Engine Study, the Failure Modes and Effects Analysis (FMEA) maintenance-driven engine design, preliminary maintenance plan, and concept for space operable disconnects generated in Phase 1 were further developed. Based on the results of the vehicle contractors Orbit Transfer Vehicle (OTV) Concept Definition and System Analysis Phase A studies, minor revisions to the engine design were made. Additional refinements in the engine design were identified through further engine concept studies. These included an updated engine balance incorporating experimental heat transfer data from the Enhanced Heat Load Thrust Chamber Study and a Rao optimum nozzle contour. The preliminary maintenance plan of Phase 1 was further developed through additional studies. These included a compilation of critical component lives and life limiters and a review of the Space Shuttle Main Engine (SSME) operations and maintenance manual in order to begin outlining the overall maintenance procedures for the Orbit Transfer Vehicle Engine and identifying technology requirements for streamlining space-based operations. Phase 2 efforts also provided further definition to the advanced fluid coupling devices including the selection and preliminary design of a preferred concept and a preliminary test plan for its further development.

Erickson, C.↗
NASA NTRS2000

Qualitative Discovery in Medical Databases

Implication rules have been used in uncertainty reasoning systems to confirm and draw hypotheses or conclusions. However a major bottleneck in developing such systems lies in the elicitation of these rules. This paper empirically examines the performance of evidential inferencing with implication networks generated using a rule induction tool called KAT. KAT utilizes an algorithm for the statistical analysis of empirical case data, and hence reduces the knowledge engineering efforts and biases in subjective implication certainty assignment. The paper describes several experiments in which real-world diagnostic problems were investigated; namely, medical diagnostics. In particular, it attempts to show that: (1) with a limited number of case samples, KAT is capable of inducing implication networks useful for making evidential inferences based on partial observations, and (2) observation driven by a network entropy optimization mechanism is effective in reducing the uncertainty of predicted events.

Maluf, David A.↗
NASA NTRS2001

Results from Global Land-Surface Data Assimilation Methods

Realistic representation of the land surface is crucial in global climate modeling (GCM). Recently, the Mosaic land-surface Model (LSM) has been driven off-line using GEOS DAS (Goddard Earth Observing System Data Assimilation System) atmospheric forcing, forming the Off-line Land-surface Global Assimilation (OLGA) system. This system provides a computationally efficient test bed for land surface data assimilation. Here, we validate the OLGA simulation of surface processes and the assimilation of ISCCP surface temperatures. Another component of this study as the incorporation of the Physical-space Statistical Analysis System (PSAS) into OLGA, in order to assimilate surface temperature observations from the International Satellite Cloud Climatology Project (ISCCP). To counteract the subsequent forcing of the analyzed skin temperature back to the initial state following the analysis. incremental bias correction (IBC) was included in the assimilation. The IBC scheme effectively removed the time mean bias, but did not remove him in the mean diurnal cycle. Therefore, a diurnal him correction (DBC) scheme was developed, where the time-dependent bias was modeled with a sine wave parameterization. In addition, quality control of the ISCCP data and anisotropic temperature correction were implemented in PSAS. Preliminary results showed a substantial impact from the inclusion of PSAS and DBC that was visible in the surface meteorology fields and energy budget. Also, the monthly mean diurnal cycle from the experiment closely matched the diurnal cycle from the observations.

Radakovich, Jon D.↗
NASA NTRS2009

Spatial and Temporal Inter-Relationship between Anomalies and Trends of Temperature, Moisture, Cloud Cover and OLR as Observed by AIRS/AMSU on Aqua

AIRS/AMSU is the advanced IR/MW atmospheric sounding system launched on EOS Aqua in May 2002. Products derived from AIRS/AMSU by the AIRS Science Team include surface skin temperature and atmospheric temperature profiled; atmospheric humidity profiles, fractional cloud clover and cloud top pressure, and OLR. Products covering the period September 2002 through the present have been derived from AIRS/AMSU using the AIRS Science Team Version 5 retrieval algorithm. In this paper, we will show results covering the time period September 2006 - November 2008. This time period is marked by a substantial warming trend of Northern Hemisphere Extra-tropical land surface skin temperatures, as well as pronounced El Nino - La Nina episodes. These both influence the spatial and temporal anomaly patterns of atmospheric temperature and moisture profiles, as well as of cloud cover and Clear Sky and All Sky OLR. The relationships between temporal and spatial anomalies of these parameters over this time period, as determined from AIRS/AMSU observations, will be shown with particular emphasis on which contribute significantly to OLR anomalies in each of the tropics and extra-tropics. Results will also be shown to evaluate the anomalies and trends of temperature profiles and OLR as determined from analysis of AIRS/AMSU data. Global and regional trends during the 6 1/3 year time period are not necessarily indicative of what has happened in the past, or what may happen in the future. Nevertheless, the inter-relationships of spatial and temporal anomalies of atmospheric geophysical parameters with those of surface skin temperature are indicative of climate processes, and can be used to test the performance of climate models when driven by changes in surface temperatures.

Susskind, Joel↗
NASA NTRS2022

Revisiting the Solar Research Cyberinfrastructure Needs: A White Paper of Findings and Recommendations

Solar and Heliosphere physics are areas of remarkable data-driven discoveries. Recent advances in high cadence, high-resolution multiwavelength observations, growing amounts of data from realistic modeling, and operational needs for uninterrupted science-quality data coverage generate the demand for a solar metadata standardization and overall healthy data infrastructure. This white paper is prepared as an effort of the working group “Uniform Semantics and Syntax of Solar Observations and Events” created within the “Towards Integration of Heliophysics Data, Modeling, and Analysis Tools” EarthCube Research Coordination Network (@HDMIEC RCN), with primary objectives to discuss current advances and identify future needs for the solar research cyberinfrastructure. The white paper summarizes presentations and discussions held during the special working group session at the EarthCube Annual Meeting on June 19th, 2020, as well as community contribution gathered during a series of preceding workshops and subsequent RCN working group sessions. The authors provide examples of the current standing of the solar research cyberinfrastructure, and describe the problems related to current data handling approaches. The list of the top-level recommendations agreed by the authors of the current white paper is presented at the beginning of the paper.

SMD↗
DOE OSTI2024

Global Data-Driven Determination of Baryon Transition Form Factors

Hadronic resonances emerge from strong interactions encoding the dynamics of quarks and gluons. The structure of these resonances can be probed by virtual photons parametrized in transition form factors. Here, in this study, twelve N* and Δ transition form factors at the pole are extracted from data with the center-of-mass energy from πN threshold to 1.8 GeV, and the photon virtuality 0 ≤ Q 2 /GeV 2 ≤ 8. For the first time, these results are determined from a simultaneous analysis of more than one state, i.e., ~10 5 π⁢N, η⁢N, and K⁢Λ electroproduction data. In addition, about 5×10 4 data in the hadronic sector as well as photoproduction serve as boundary conditions. For the Δ⁡(1232) and N⁡(1440) states our results are in qualitative agreement with previous studies, while the transition form factors at the poles of some higher excited states are estimated for the first time. Realistic uncertainties are determined by further exploring the parameter space.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Search for resonant production of dark quarks in the dijet final state with the ATLAS detector

This paper presents a search for a new Z' resonance decaying into a pair of dark quarks which hadronise into dark hadrons before promptly decaying back as Standard Model particles. This analysis is based on proton-proton collision data recorded at $\sqrt{s}$ = 13 TeV with the ATLAS detector at the Large Hadron Collider between 2015 and 2018, corresponding to an integrated luminosity of 139 fb –1 . After selecting events containing large-radius jets with high track multiplicity, the invariant mass distribution of the two highest-transverse-momentum jets is scanned to look for an excess above a data-driven estimate of the Standard Model multijet background. No significant excess of events is observed and the results are thus used to set 95% confidence-level upper limits on the production cross-section times branching ratio of the Z' to dark quarks as a function of the Z' mass for various dark-quark scenarios.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Trends in Light and Temperature Sensitivity Recommendations among Licensed Biotechnology Drug Products

Inherent structural and functional properties of biotechnology-derived therapeutic biologics make them susceptible to light- and temperature-induced degradation and consequently can influence their quality. Photosensitivity of therapeutic proteins continues to be examined, but the commonalities and trends of storage conditions and information about light and temperature sensitivity among currently licensed therapeutic proteins has not been previously surveyed. Using a comprehensive and relational database approach, we conducted a scientific survey of all licensed biotechnology-derived drug products with the goal of providing evidence-based information about recommended storage conditions of formulations sorted by light- and temperature-related attributes as described for each product at licensure. We report the prevalence of indications for light and temperature sensitivity in formulations categorized by their presentation type, number of doses, container type, dosage form and active molecule type. We also report the storage temperature range across formulations and diluents for reconstitution and dilution. Formulations with excipients that potentially facilitate light-induced and thermal degradation were also noted. The result of our analysis indicates that light and temperature sensitivity are prevalent across therapeutic protein formulations. However, when a formulation is reconstituted or diluted, both light and temperature sensitivity are less clear. In addition, light and temperature sensitivity are more well defined in liquid formulations than lyophilized powder formulations, and more well defined in products manufactured in autoinjectors, prefilled-syringes, and pens than products in vials. Overall, our report provides a data-driven summary of storage conditions among therapeutic protein formulations to support the development of future biologic drug products.

60 APPLIED LIFE SCIENCES↗