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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Electrolyzer energy dominates separation costs in state-of-the-art CO 2 electrolyzers: Implications for single-pass CO 2 utilization

In low-temperature CO 2 electrolysis, a fundamental trade-off exists between maximizing electrolyzer performance and minimizing downstream CO 2 recovery. Here, by coupling a down-the-gas-channel electrolyzer model with a techno-economic analysis, we find that the optimal single-pass CO 2 conversion for ethylene production is typically low—on the order of 5%–10%—although larger optima are found if the H 2 faradic efficiency is very low. Similarly, strategies for eliminating carbonate crossover require more energy than downstream gas separation if they increase the cell potential by ~0.2 V; however, when CAPEX are accounted for, this “break-even” voltage increases to ~ 0.4 to 0.8 V for electricity prices varying from 6c/kWh to 1.5c/kWh. These findings are a consequence of the low energy requirements of industrial gas separation relative to electrochemical CO 2 reduction. Under most circumstances, maintaining near-optimal electrolyzer performance is more important than reducing or eliminating downstream gas separations.

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

Evaluating the state-of-the-art in remote volcanic eruption characterization Part I: Raikoke volcano, Kuril Islands

Raikoke, a small, unmonitored volcano in the Kuril Islands, erupted in June 2019. We integrate data from satellites (including Sentinel-2, TROPOMI, MODIS, Himawari-8), the International Monitoring System (IMS) infrasound network, and global lightning detection network (GLD360) with information from local authorities and social media to retrospectively characterize the eruptive sequence and improve understanding of the pre-, syn- and post- eruptive behavior. In this work, we observe six infrasound pulses beginning on 21 June at 17:49:55 UTC as well as the main Plinian phase on 21 June at 22:29 UTC. Each pulse is tracked in space and time using lightning and satellite imagery as the plumes drift eastward. Post-eruption visible satellite imagery shows expansion of the island's surface area, an increase in crater size, and a possibly-linked algal bloom south of the island. We use thermal satellite imagery and plume modeling to estimate plume height at 10–12 km asl and 1.5–2 × 10 6 kg/s mass eruption rate. Remote infrasound data provide insight into syn-eruptive changes in eruption intensity. Our analysis illustrates the value of interdisciplinary analyses of remote data to illuminate eruptive processes. However, our inability to identify deformation, pre-eruptive outgassing, and thermal signals, which may reflect the relatively short duration (~12 h) of the eruption and minimal land area around the volcano and/or the character of closed-system eruptions, highlights current limitations in the application of remote sensing for eruption detection and characterization.

58 GEOSCIENCES↗
DOE OSTI2021

Evaluating the state-of-the-art in remote volcanic eruption characterization Part II: Ulawun volcano, Papua New Guinea

Retrospective eruption characterization is valuable for advancing our understanding of volcanic systems and evaluating our observational capabilities, especially with remote technologies (defined here as a space-borne system or non-local, ground-based instrumentation which include regional and remote infrasound sensors). In June 2019, the open-system Ulawun volcano, Papua New Guinea, produced a VEI 4 eruption. We combined data from satellites (including Sentinel-2, TROPOMI, MODIS, Himawari-8), the International Monitoring System infrasound network, and GLD360 globally detected lightning with information from the local authorities and social media to characterize the pre-, syn- and post-eruptive behaviour. The Rabaul Volcano Observatory recorded ~24 h of seismicity and detected SO 2 emissions ~16 h before the visually-documented start of the Plinian phase on 26 June at 04:20 UTC. Infrasound and SO2 detections suggest the eruption started during the night on 24 June 2019 at 10:39 UTC ~38 h before ash detections with a gas-dominated jetting phase. Local reports and infrasound detections show that the second phase of the eruption started on 25 June 19:28 UTC with ~6 h of jetting. The first detected lightning occurred on 26 June 00:14 UTC, and ash emissions were first detected by Himawari-8 at 01:00 UTC. Post-eruptive satellite imagery indicates new flow deposits to the south and north of the edifice and ash fall to the west and southwest. In particular, regional infrasound data provided novel insight into eruption onset and syn-eruptive changes in intensity. We conclude that, while remote observations are sufficient for detection and tracking of syn-eruptive changes, key challenges in data latency, acquisition, and synthesis must be addressed to improve future near-real-time characterization of eruptions at minimally-monitored or unmonitored volcanoes.

58 GEOSCIENCES↗
DOE OSTI2025

Development and assessment of hierarchical multi-reward reinforcement learning based potential for silicene with state-of-the-art models

We develop a new interatomic force field for Silicene, a 2D material with a buckled hexagonal lattice structure with high polymorphism. We introduce new parameterizations of a Tersoff model using a hierarchical multi-reward reinforcement learning (RL) methodology coupled with a continuous Monte Carlo Tree Search optimization. Our model significantly outperforms existing methods by enhancing the accuracy of predictions for the structural and thermodynamic properties of seven silicene polymorphs-including structure, energy, equation of state, elasticity, and phonon dispersion-when compared to established models. We further make a comprehensive comparison of the various models in predicting the mechanical and thermal properties of silicene. We trace the origin of the improved performance to the description of the angular dependence in the bond-order term, suggesting that modifying the angular terms in short-range models is essential to capture the structural diversity in low dimensional systems.

2D materials↗
DOE OSTI2020

A state of the art Lambertson septum magnet of the RHIC beam injection system

The beam injection system of the Relativistic Heavy Ion Collider (RHIC) is the last section of the beam transfer line which transports the beam from the Alternating Gradient Synchrotron (AGS) to RHIC and comes under the acronym AtR (AGS to RHIC). The Lambertson septum magnet is one of the magnetic elements of the RHIC injection system. This paper presents results from the 2D and 3D electromagnetic design of the RHIC Lambertson septum magnet which has unique design features to minimize the magnetic field at the circulated beam region including the fringe field regions at the entrance and exit of the magnet.

43 PARTICLE ACCELERATORS↗
DOE OSTI2019

EXPLORING THE STRUCTURE OF GLASS-FORMING LIQUIDS USING HIGH ENERGY X-RAY DIFFRACTION, CONTAINERLESS METHODOLOGY AND STATE-OF-THE-ART MOLECULAR DYNAMICS SIMULATION

High energy X-ray diffraction can be combined with containerless techniques to provide information on the atomic arrangements in glass-forming liquids in stable and metastable regimes. The high incident energies provide bulk diffraction data to high values of scattering vector which enables significantly more robust analysis of the local and medium-range order that influences important physical properties such as viscosity and crystal nucleation. These combined techniques have been applied to a range of oxide liquids. In this contribution we illustrate addition of further dimensions to phase space by controlling the partial pressure of oxygen that permits the study liquids containing iron. The advantages of rapid data acquisition are also demonstrated in a study of tellurite glass-forming systems where a transition from ergodic to non-ergodic regimes in the deeply supercooled liquid is shown. Finally we demonstrate how descriptions of the liquid structure can be developed by combining HEXRD with molecular dynamics simulations.

containerless techniques↗
DOE OSTI2025

The state of the art for neutron irradiation experiments from the perspective of the High Flux Isotope Reactor (HFIR)

Irradiation experiment campaigns are critical to advancing nuclear energy technologies by providing data on material performance under relevant radiation conditions. Successful irradiation experiments require integrated design efforts that balance technical goals with facility constraints. Here, this paper presents an expert-informed overview of irradiation experiment design at the High Flux Isotope Reactor. It addresses the nuclear materials research and irradiation experiment communities to guide them toward developing technically sound, facility-compatible campaigns. The High Flux Isotope Reactor is a multipurpose reactor supporting isotope production, neutron scattering, and materials testing. Its high, steady-state neutron flux is ideal for irradiation experiments, but successful execution demands coordinated thermal, structural, and reactor physics analyses. The paper outlines the complete development workflow from concept definition and design optimization to safety qualification and post-irradiation examination. Standardized capsule platforms are also discussed in terms of flexibility, specimen capacity, and thermal performance. Common failure modes such as unanticipated geometric variations, can impact temperature-dose profiles and compromise data reliability. Therefore, detailed thermal modeling and accurate as-built characterization are essential for meaningful post-irradiation data interpretation. Key recommendations include early engagement all stakeholders, clearly defined design expectations, and alignment of specimen geometries with post-irradiation examination capabilities. This approach reduces design iterations, enhances data quality, and supports more efficient use of irradiation resources. Strategic and well-planned irradiation testing not only improves individual campaign success but also accelerates the deployment of advanced nuclear technologies. By closing critical data gaps and reducing development risks, the nuclear materials community can more effectively contribute to the future of clean, resilient energy systems.

Experiments↗
DOE OSTI2026

Benchmarking state-of-the-art theory and empirical models of pionless neutrino-argon scattering in GENIE

Upcoming experiments need improved simulations of neutrino scattering. This work uses the popular GENIE event generator to test a variety of neutrino interaction models against recent MicroBooNE measurements of pionless charged-current interactions. The GENIE code can easily interchange model components, including nucleon form factor parameterizations, quasielastic cross-section calculations, treatments of the nuclear ground state and hadronic final-state interactions. Leveraging this software capability in comparisons with MicroBooNE data, the performance of some of GENIE’s most theoretically sophisticated model components is evaluated and contrasted with more empirically-driven alternatives.

Neutrino cross section↗
DOE OSTI2023

Additive manufacturing of nickel-based superalloys: A state-of-the-art review on process-structure-defect-property relationship

Fusion-based additive manufacturing (AM) has significantly grown to fabricate Nickel-based superalloys with design freedom across multiple length scales. Several phenomena such as feedstock/energy source/melt pool interactions, solidification and phase transformations occur during fusion-based AM processes of Nickel-based superalloys, which determine the ultimate microstructure and mechanical performance of the built parts. In this review, here we elaborate a comprehensive discussion on AM Nickel-based superalloys and influential factors including feedstock characteristics (powder morphology, chemistry, contamination, flowability, recycling) and AM processing (parameters, and powder spreading/wall/balling/spattering effects) on their microstructure (micro-segregation, phases formations and grain structures), defect generation (sub-surface/internal defects, microcracks, surface roughness, and residual stress). Furthermore, the mechanical properties of AM Nickel-based superalloys such as tensile, creep and fatigue at room/elevated temperatures are analyzed in accordance with the initial, and post processing effects. Additionally, the commonly utilized modeling approaches in literature to predict the microstructure and mechanical behavior of these alloys are highlighted. Finally, the current challenges and mitigation approaches for future research are identified considering the gaps in the AM Nickel-based superalloys.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A state-of-the-art review of experimental and computational studies of granular materials: Properties, advances, challenges, and future directions

Modeling of heterogeneous materials and media is a problem of fundamental importance to a wide class of phenomena and systems, ranging from condensed matter physics, soft materials, and composite media to porous media, biological systems, geosystems, ceramic engineering, pharmaceutical science and even in space discoveries. Among the most important materials are granular systems, which have received intense interest from the engineering, physics, and mathematics communities. In this review paper, the recent developments and new advances in experimental, and computational methods on a variety of scales and physics that extend understanding to a wide range of materials and phenomena are reviewed. Experimental advances include computed neutron and nanometer-scale tomography, magnetic resonance imaging, refractive index matching, digital image correlation, acoustic emission analysis, and the most recent 4D techniques. Furthermore, a tremendous shift has occurred from the continuum scale to micro-scale and developing multiscale approaches. As such, various computational methods, including, constitutive modeling, discrete modeling, and multiscale approaches, have been developed. In conclusion, aside from all these evolutions, more complicated modeling called coupled, or multiphysics, systems representing a simultaneous presence of heat, fluid, chemical variation, and mechanical effect are also explored.

36 MATERIALS SCIENCE↗
DOE OSTI2020

State-of-the-art short-term electricity market operation with solar generation: A review

With the accelerating penetration of solar energy in energy systems, market operations concerning the solar-associated intermittency are widely discussed. How to correctly model the solar generation in the market and solve the uncertainty-based operation problems call for solutions. Unlike other renewable resources, solar power can be more easily applied to the demand side through behind-the-meter installations in a distributed manner with significant future extensibility. The corresponding operational rules in the markets are largely being revised. Over the past two decades, with the development of deregulated power markets, numerous studies related to uncertainty-based market operations tend to transform the market from a deterministic and centralized framework to a stochastic and decentralized one. As the relevant literature is most recent, this paper reviews their contributions to electricity market operations with solar integration and underlines the research directions of this topic and ongoing industry practices. A thorough review of the electricity markets worldwide with solar energy is provided. A variety of proposed mathematical solutions to the problem are also addressed.

14 SOLAR ENERGY↗
DOE OSTI2022

Extracting energy from ocean thermal and salinity gradients to power unmanned underwater vehicles: State of the art, current limitations, and future outlook

Thermal gradient energy-generation technologies for powering unmanned underwater vehicles (UUVs) or autonomous sensing systems in the ocean are mainly in the research development phase or commercially available at a limited scale, and salinity-gradient energy-generation technologies have not been adequately researched yet. The demand for self-powered UUVs suitable for long-term deployments has been growing, and further research related to small-scale ocean gradient energy systems is needed. In this study, we conducted a comprehensive review about harvesting energy from ocean thermal or salinity gradients for powering UUVs, focusing on gliders and profiling floats. Thermal gradient energy systems for UUVs based on phase change materials (PCM) cannot provide the energy required for powering autonomous sensing systems because of the systems' low energy conversion efficiency. Besides reducing energy consumption by developing more efficient electrical-mechanical systems, enhancing the thermal conductivity of the PCMs may help address this challenge by increasing the power generation rate of the UUVs. Several other emerging technologies, such as thermoelectric generators, shape memory alloys, and small-scale thermodynamic cycle systems, have shown potential for powering UUVs, but they are still only at the laboratory testing or conceptual design phase. The most advanced power generation technologies based on salinity gradients, reverse electrodialysis and pressure-retarded osmosis, are still not economically viable for large-scale deployment, mainly because of the high cost of the components required to operate in harsh saline environments. Our feasibility evaluation showed that existing salinity gradient power generation technologies are not directly feasible for powering UUVs in the open ocean.

16 TIDAL AND WAVE POWER↗
DOE OSTI2020

Urban building energy modeling (UBEM) tools: A state-of-the-art review of bottom-up physics-based approaches

Regulations corroborate the importance of retrofitting existing building stocks or constructing new energy-efficient districts. There is, thus, a need for modeling tools to evaluate energy scenarios to better manage and design cities, and numerous methodologies and tools have been developed. Among them, Urban Building Energy Modelling (UBEM) tools allow the energy simulation of buildings at large scales. Choosing an appropriate UBEM tool, balancing the level of complexity, accuracy, usability, and computing needs, remains a challenge for users. The review focuses on the main bottom-up physics-based UBEM tools, comparing them from a user-oriented perspective. Five categories are used: (i) the required inputs, (ii) the reported outputs, (iii) the exploited workflow, (iv) the applicability of each tool, and (v) the potential users. Moreover, a critical discussion is proposed, focusing on interests and trends in research and development. The results highlighted major differences between UBEM tools that must be considered to choose the proper one for an application. Finally, barriers of adoption of UBEM tools include the needs of a standardized ontology, a common three-dimensional city model, a standard procedure to collect data, and a standard set of test cases. This feeds into future development of UBEM tools to support cities’ sustainability goals.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

Art and Science of the Cellular Mesoscale

Experimental information from microscopy, structural biology, and bioinformatics may be integrated to build structural models of entire cells with molecular detail. This integrative modeling is challenging in several ways: the intrinsic complexity of biology results in models with many closely packed and heterogeneous components; the wealth of available experimental data is scattered among multiple resources and must be gathered, reconciled, and curated; and computational infrastructure is only now gaining the capability of modeling and visualizing systems of this complexity. We present recent efforts to address these challenges, both with artistic approaches to depicting the cellular mesoscale, and development and application of methods to build quantitative models.

59 BASIC BIOLOGICAL SCIENCES↗