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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Drivers and implications of alternative routes to fuels decarbonization in net-zero energy systems

Energy transition scenarios are characterized by increasing electrification and improving efficiency of energy end uses, rapid decarbonization of the electric power sector, and deployment of carbon dioxide removal (CDR) technologies to offset remaining emissions. Although hydrocarbon fuels typically decline in such scenarios, significant volumes remain in many scenarios even at the time of net-zero emissions. While scenarios rely on different approaches for decarbonizing remaining fuels, the underlying drivers for these differences are unclear. Here we develop several illustrative net-zero systems in a simple structural energy model and show that, for a given set of final energy demands, assumptions about the use of biomass and CO2 sequestration drive key differences in how emissions from remaining fuels are mitigated. Limiting one resource may increase reliance on another, implying that decisions about using or restricting resources in pursuit of net-zero objectives could have significant tradeoffs that will need to be evaluated and managed.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2025

CryoDRGN-AI: neural ab initio reconstruction of challenging cryo-EM and cryo-ET datasets

Proteins and other biomolecules form dynamic macromolecular machines that are tightly orchestrated to move, bind, and perform chemistry. Cryo-electron microscopy (cryo-EM) and cryo-electron tomography (cryo-ET) can access the intrinsic heterogeneity of these complexes and are therefore key tools for understanding their function. However, 3D reconstruction of the collected imaging data presents a challenging computational problem, especially without any starting information, a setting termed ab initio reconstruction. Here, in this study, we introduce cryoDRGN-AI, a method leveraging an expressive neural representation and combining an exhaustive search strategy with gradient-based optimization to process challenging heterogeneous datasets. Using cryoDRGN-AI, we reveal new conformational states in large datasets, reconstruct previously unresolved motions from unfiltered datasets, and demonstrate ab initio reconstruction of biomolecular complexes from in situ data. With this expressive and scalable model for structure determination, we hope to unlock the full potential of cryo-EM and cryo-ET as a high-throughput tool for structural biology and discovery.

Levy, Axel [Stanford Univ., CA (United States); SL↗
DOE OSTI2026

Tracking the protein conformational motions driving HIV-1 membrane fusion

HIV-1 Env (trimeric gp120/gp41) is the surface protein responsible for membrane fusion. The Env binds to the receptor proteins, which induces gp120 shedding leading to conformational changes of gp41 from the pre-fusion to post-fusion state, allowing its fusion peptide to embed in the host cell membrane and bringing the viral and host cell membranes together. The gp41 refolding is a target of several peptide inhibitors. Yet, the molecular mechanism of this dynamic process is still not well understood. In this study, we successfully simulate the conformational change of gp41 from pre-fusion to post-fusion state in atomistic resolution using all-atom structure-based models. We reveal that maintaining the directionality of protomer interactions in both pre-fusion and post-fusion states is crucial for gp41 refolding. Additionally, we find that HR1 inherently extends as a three-helical bundle toward the host-cell membrane without any bias. Importantly, we identify native contacts in the pre-fusion state that are critical for the proper refolding of gp41 towards the post-fusion state. Lastly, by incorporating the membrane-fusion inhibitors, T20 and SFT, we identify the most vulnerable stage in the fusion pathway that exhibits the greatest sensitivity to these drugs, which could aid in a better understanding of drug resistance mechanisms.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

The C2 domain augments Ras GTPase-activating protein catalytic activity

Regulation of Ras GTPases by GTPase-activating proteins (GAPs) is essential for their normal signaling. Nine of the ten GAPs for Ras contain a C2 domain immediately proximal to their canonical GAP domain, and in RasGAP (p120GAP, p120RasGAP;RASA1) mutation of this domain is associated with vascular malformations in humans. Here, we show that the C2 domain of RasGAP is required for full catalytic activity toward Ras. Analyses of the RasGAP C2-GAP crystal structure, AlphaFold models, and sequence conservation reveal direct C2 domain interaction with the Ras allosteric lobe. This is achieved by an evolutionarily conserved surface centered around RasGAP residue R707, point mutation of which impairs the catalytic advantage conferred by the C2 domain in vitro. In mice,R707Cmutation phenocopies the vascular and signaling defects resulting from constitutive disruption of theRASA1gene. In SynGAP, mutation of the equivalent conserved C2 domain surface impairs catalytic activity. Our results indicate that the C2 domain is required to achieve full catalytic activity of GAPs for Ras.

Science & Technology - Other Topics↗
DOE OSTI2026

Cross-sectoral synergies for household energy savings: the role of electric vehicles, solar photovoltaics, and remote work

Over the past two decades, new technologies and behavioral shifts – such as electric vehicles, solar photovoltaics, and increased work-from-home practices – have reshaped residential electricity consumption and cost. However, their combined or synergistic impact on a household’s electricity cost remains unexplored. Leveraging data from the 2020 Residential Energy Consumption Survey, this study uses a structural equation model to unravel the extent to which the bundled adoption of EV-PV and stay-at-home decisions impact the total electricity cost of households. Results indicate that adopting both EVs and PV reduces electricity costs by 31% despite a 16% rise in consumption. When combined with stay-at-home practices, households still experience a 13% cost reduction, even with a 25% increase in electricity consumption. In conclusion, these findings suggest that financial savings are not merely a byproduct of adopting new technologies or behavioral changes but could serve as a key consideration for household contemplating engagement with multiple modern energy solutions simultaneously.

14 SOLAR ENERGY↗
DOE OSTI2025

The luminous, slow-rising orphan afterglow AT2019pim as a candidate moderately relativistic outflow

ABSTRACT Classical gamma-ray bursts (GRBs) have two distinct emission episodes: prompt emission from ultrarelativistic ejecta and afterglow from shocked circumstellar material. While both components are extremely luminous in known GRBs, a variety of scenarios predict the existence of luminous afterglow emission with little or no associated high-energy prompt emission. We present AT 2019pim, the first spectroscopically confirmed afterglow with no observed high-energy emission to be identified. Serendipitously discovered during follow-up observations of a gravitational-wave trigger and located in a contemporaneous TESS sector, it is hallmarked by a fast-rising ($t \approx 2$ h), luminous ($M_{\rm UV,peak} \approx -24.4$ mag) optical transient with accompanying luminous X-ray and radio emission. No gamma-ray emission consistent with the time and location of the transient was detected by Fermi-GBM or by Konus, placing constraining limits on an accompanying GRB. We investigate several independent observational aspects of the afterglow in the context of constraints on relativistic motion and find all of them are consistent with an initial Lorentz factor of $\Gamma _0 \approx$ 10–30 for the on-axis material, significantly lower than in any well-observed GRB and consistent with the theoretically predicted ‘dirty fireball’ scenario in which the high-energy prompt emission is stifled by pair production. However, we cannot rule out a structured jet model in which only the line-of-sight material was ejected at low-$\Gamma$, off-axis from a classical high-$\Gamma$ jet core, and an on-axis GRB with below-average gamma-ray efficiency also remains a possibility. This event represents a milestone in orphan afterglow searches, demonstrating that luminous optical afterglows lacking detected GRB counterparts can be identified and spectroscopically confirmed in real time.

Perley, Daniel A. (ORCID:0000000184721996)↗
DOE OSTI2024

Multipole responses in fissioning nuclei and their uncertainties

Electromagnetic multipole responses are key inputs to model the structure, decay, and reactions of atomic nuclei. With the introduction of the finite amplitude method (FAM), large-scale calculations of the nuclear linear response in heavy deformed nuclei have become possible. This work provides a detailed study of multipole responses in actinide nuclei with Skyrme energy density functionals. We quantify both systematic and statistical uncertainties induced by the functional parametrization in FAM calculations. We also extend the FAM formalism to perform blocking calculations with the equal filling approximation for odd-mass and odd-odd nuclei, and analyze the impact of blocking configurations on the response. In conclusion, by examining the entire plutonium isotopic chain from the proton to the neutron drip line, we find a large variability of the response with the neutron number and study how it correlates with the deformation of the nuclear ground state.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Towards Polymer-Free, Femto-Second Laser-Welded Glass/Glass Solar Modules

This project explores the use of femto-second (fs) lasers to form glass-to-glass welds for hermetically sealed, polymer-free solar modules. Low iron solar glass coupons were welded together without the use of glass filler using a fs laser with dedicated optics to elongate the focal plane parallel to the incident beam. The resulting welds were then stress tested to failure to reveal the critical stress intensity factor, KIc. These values were used in a structural mechanics model of a 1 m by 2 m glass/glass module under a simulated static load test. The results show that the fs laser welds are strong enough for a suitably framed module to pass the IEC 61215 static load test with a load of 5400 Pa. Key to this finding is that the module must be framed and braced, and the glass must be ribbed to allow pockets for the cells and welds inside the border of the module. The result is a module design that is completely polymer-free, hermetically sealed, has improved thermal properties, and is easily recycled.

femto-second laser welded↗
DOE OSTI2025

Preemptive optimization of a clinical antibody for broad neutralization of SARS-CoV-2 variants and robustness against viral escape

Most previously authorized clinical antibodies against severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) have lost neutralizing activity to recent variants due to rapid viral evolution. To mitigate such escape, we preemptively enhance AZD3152, an antibody authorized for prophylaxis in immunocompromised individuals. Using deep mutational scanning (DMS) on the SARS-CoV-2 antigen, we identify AZD3152 vulnerabilities at antigen positions F456 and D420. Through two iterations of computational antibody design that integrates structure-based modeling, machine-learning, and experimental validation, we co-optimize AZD3152 against 24 contemporary and previous SARS-CoV-2 variants, as well as 20 potential future escape variants. Our top candidate, 3152-1142, restores full potency (100-fold improvement) against the more recently emerged XBB.1.5+F456L variant that escaped AZD3152, maintains potency against previous variants of concern, and shows no additional vulnerability as assessed by DMS. This preemptive mitigation demonstrates a generalizable approach for optimizing existing antibodies against potential future viral escape.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Basic Research Needs for Inverse Methods for Complex Systems under Uncertainty [Brochure]

The four priority research directions outlined in this brochure represent a cohesive vision for advancing the science of inverse problems for complex systems under uncertainty. Together, they address the critical challenges of: discovering, exploiting, and preserving physical and problem structure; overcoming model limitations; integrating disparate, multimodal, and/or dynamic data; and tailoring the solution of inverse problems to downstream tasks. While each PRD focuses on a distinct aspect of inverse-problem research, their interconnected nature highlights the importance of a holistic approach that leverages progress across all areas to achieve transformative solutions. This agenda calls for research across mathematics, statistics, and computer science disciplines, which are guided and complemented by rapid advances in artificial intelligence, high-performance computing, and experimental facilities, to unlock new capabilities, maximize scientific impact, and meet the growing demands of inverse problems that arise across applications that are critical to DOE's mission.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

A User-Friendly GUI Tool for Automated Microstructural Analysis of Fiber-Reinforced Composites and Porous Structures

Understanding and quantifying microstructural features such as fiber orientation and porosity is critical for predicting the mechanical behavior and performance of fiber-reinforced polymer composites. Traditional manual analysis is time-consuming, subjective, and unsuitable for high-throughput datasets. We present a graphical user interface (GUI) application that automates the analysis of microscopy images to extract key microstructural metrics, including fiber orientation tensors, fiber orientation distribution, porosity and pore size distribution. The app integrates multiple image segmentation techniques including global and local thresholding, clustering, and region-based approaches, offering flexibility for different types of image qualities and features. Users can load microstructural images, select regions of interest and segmentation techniques tailored to their image dataset. It also addresses a critical challenge in fiber orientation analysis: the ambiguities caused by touching, overlapping, or partially cut fibers. It supports autorun examples for standardized workflows, enabling reproducible analysis and facilitating training and benchmarking. This tool significantly reduces manual intervention, enhances consistency, and accelerates data generation for structure–property modeling, process optimization, and digital materials research. The tool is intended for use by materials scientists, engineers, and researchers engaged in composite characterization, quality control, and machine learning-based microstructural studies.

Chawla, Komal [ORNL] (ORCID:0000000190327565)↗
DOE OSTI2026

Synthesis, Structure, and Properties of the Complex Zintl Phase Eu 9 Zn 4.5 As 9 : A Candidate Topological Insulator and Thermoelectric Material

Reported are the synthesis and detailed analysis of the crystal and electronic structure of the novel Zintl phase Eu 9 Zn 4.5 As 9 . This material was identified in the densely populated Eu–Zn–As compositional space. For structure determination and for property measurements, suitable single crystals of this compound were grown from either Sn- or Pb-flux. Single-crystal X-ray diffraction methods indicate that Eu 9 Zn 4.5 As 9 crystallizes in the orthorhombic crystal system with the space group Pnma (a = 12.1953(7) Å, b = 4.3730(2) Å, c = 42.674(2) Å) and is formally isostructural to Ca 9 Mn 4+x Sb 9 , the less common “9–4–9” type. The structure is heavily disordered, with multiple partially occupied sites, yet, according to the Zintl-Klemm formalism, a charge-balanced composition (Eu 2+ ) 9 (Zn 2+ ) 4.5 (As 3− ) 9 is attained. Electronic structure calculations for a model, disorder-free structure indicate no energy gap between the valence and the conduction bands and suggest (semi)metallic behavior. Preliminary susceptibility measurements confirm the expected divalent nature of Eu 2+ ([Xe] 4 f 7 ground state).

Zintl phases↗
DOE OSTI2025

Barriers and Benefits: Understanding Riders’ Views on Pooled Rideshare in the U.S.

This manuscript provides actionable recommendations to enhance user satisfaction and address existing barriers regarding pooled rideshare (PR) in the United States. Despite PR’s intended benefits, such as reduced traffic congestion and cost savings, its adoption remains limited. To identify these actionable items, a U.S. nationwide survey with 5385 participants explored transportation preferences, barriers, and motivators for PR use in the summer of 2021. First, two factor analyses were conducted. The first factor analysis identified the five factors associated with one’s willingness to consider PR (time/cost, traffic/environment, safety, privacy, and service experience). The second factor analysis revealed the four factors related to ways to optimize one’s PR experience (comfort/ease of use, convenience, vehicle technology/accessibility, and passenger safety). Privacy concerns, for instance, were found to reduce the likelihood of PR adoption by 77%, and convenience had the potential to increase it by 156%. A structural equation model evaluated the relationships among these nine key factors influencing PR usage to develop the Pooled Rideshare Acceptance Model (PRAM). The privacy, safety, trust service, and convenience factors each had a significant large effect (Cohen’s f 2 > 0.35) on the model. PRAM was extended using multigroup analyses to reveal the nuanced impact of 16 demographics, including gender, generation, rideshare experience, etc., highlighting the need for tailored strategies to improve PR acceptance through the Pooled Rideshare Acceptance Model Multigroup Analyses (PRAMMAs). Multiple workshops were held with diverse audiences to translate the team’s findings to date into 84 actionable recommendations, categorized across topical areas like safety, routing, driver and passenger selection, user education, etc. These findings are a foundation for a future study to determine which items resonate with different user groups. In the meantime, the actional items serve as a user-driven resource for policymakers, transportation network companies, and researchers, offering a roadmap to potential improvements to PR services to address existing concerns with the goal of increasing the usage of PR.

actionable recommendations↗
DOE OSTI2026

Interconnect: Cooperative Research and Development Final Report, CRADA Number CRD-13-00507 (Project 4)

This CRADA modification involves analyses on a variety of CdTe-PV related materials, test structures, solar cells, and modules produced at FSLR and/or NLR and adds analysis related to module degradation and reliability. Materials will be provided by FSLR, NLR, and/or by interleaving FSLR and NLR layers and processes. Module reliability activities will include technical risk assessment, materials characterization, module and test structure characterization, modeling, accelerated test development, and outdoor testing.

14 SOLAR ENERGY↗
DOE OSTI2026

SPT-3G D1: Compton-$y$ maps using data from the SPT-3G and Planck surveys

We present thermal Sunyaev-Zel'dovich (tSZ) Compton-$y$ parameter maps constructed from two years (2019-2020) of observations with the South Pole Telescope (SPT) third-generation camera, SPT-3G, combined with data from the Planck satellite. Using a linear combination (LC) pipeline, we obtain a suite of reconstructions that explore different trade-offs between statistical sensitivity and suppression of astrophysical contaminants, including minimum-variance, CMB-deprojected, and CIB-deprojected $y$-maps. We validate these maps through different statistical techniques such as auto- and cross-power spectra with large-scale structure tracers as well as stacking on cluster locations. These tests are used to understand the balance between noise and astrophysical foreground residuals (such as the CIB) in combination with the recovery of the tSZ signal for different maps. For example, results from stacking at the location of clusters confirm the robustness of the recovered tSZ signal over the $\sim 1500\: {\rm deg}^2$ SPT-3G survey field used in this analysis. The high-resolution and low-noise maps produced here provide an important cosmological tool for future studies, including measurements of the Compton-$y$ map power spectrum, cross-correlations with other tracers of the large-scale structure, detailed modeling of cluster pressure profiles, and study of the thermodynamic state of the baryons in the Universe.

Maniyar, A. S. [Harvard-Smithsonian Ctr. Astrophys↗