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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
NASA NTRS2021

Romie: A Domain-Independent Tool for Computer-Aided Robust Operations Management

Romie is a decision support tool based on AI's latest advances in the domain of robust scheduling. Unlike all its predecessors, the tool allows to (i) visually model the operational problem and context entirely (ii) optimize to find near-optimal schedules while taking uncertainty into account and deals with (iii) a combination of various {key performance indicators (KPIs). It comes with a web user interface. Part or all of the modelled activities may be associated to random variables describing their stochastic durations, in order to produce schedules that are robust w.r.t. temporal uncertainty. Hence, depending on the pursued KPIs, the schedules maximize a combination of the following terms: the probability of satisfying the problem constraints, the expected return/efficiency, the expected outcome quality, and even the operators' wellness by minimizing its expected extra-hours. Initially developed for spatial exploration and demonstration in the context of Mars analog missions, this versatile tool is here applied to operations management in both biotechnology manufacturing and robots parametrization in a cave exploration context.

Chien, Steve A.↗
NASA NTRS2021

Fit to be Tied: Embracing Tethered Robots for Exploring Extreme Planetary Environments

Tethers are supportive wires that could provide power, communication, and even science instrument capabilities to planetary rovers, landers, and future human settlements. Whether it be power distribution and optical communication connecting robots exploring extreme, undersea and deep subsurface environments, to your home office on Earth, we live, and will continue to live, in a predominantly ‘wired’ world. Accordingly, as humanity continues to push beyond Earth to exploring extreme planetary terrains like caves, cliffs, craters, and crevasses, and moves towards establishing human settlements on the Moon and Mars, we can expect tethers to play a major role. For exploration purposes, tethers are critical to enabling next-generation, science-focused missions to access high-value, resource-limited targets, where exploring rovers or astronauts lack direct communication or access to viable sunlight for solar power. NASA’s Jet Propulsion Laboratory (JPL) is formulating new mission concepts that could deploy robotic assets into some of the Solar System’s harshest and steepest terrain and, in many cases, tethers are the enabling technology. Examples include i) a rappelling rover to explore vertically along lunar pit walls to determine how the Moon formed, ii) tethered rovers to reach ice deposits on Mars and the Moon, iii) large, tether-deployed antenna structures to probe into the subsurface of a planet and/or look skyward to image the highly red-shifted, early universe, iv) probes that descend into the icy layers of Europa and Enceladus in search of subsurface oceans and, potentially, extant life, and v) science instruments that could be suspended on supportive tethers from balloons on Venus to directly image the surface and sample its clouds. This paper will present a survey of the state-of-the-art for tether related exploration of the solar system and chronicle ongoing work at JPL, which is leading to robust tether designs, high-power and communication transmission over multi-km distances, and highly capable, tether-based rover systems.

McGarey, Patrick↗
DOE OSTI2020

Comprehensive Land Use and Environmental Stewardship

Comprehensive Land Use and Environmental Stewardship (CLUES) Report serves as a summary document of the land use and environmental stewardship activities occurring on the Idaho National Laboratory (INL) Site (Desert) and the Research and Education Campus (REC) within Idaho Falls. Land and facility use planning and decisions at the INL Site are guided by a comprehensive planning process in accordance with the United States (U.S.) Department of Energy (DOE) Order 430.1C, “Real Property Asset Management,” which states "Establish a data-driven, risk-informed, performance-based approach to the life-cycle management of real property assets that aligns the real property portfolio with DOE mission needs; acquire, manage, positively account for, and dispose of real property assets in a safe, secure, cost-effective, and sustainable manner; and ensure the real property portfolio is appropriately sized, aligned, and in the proper condition to support efficient mission execution." Land use planning, like Campus Master Planning and 5-Year Facility Planning, provides a means for better, more sustainable use of the INL Site in a coordinated effort to ensure current and future mission needs are met, including acquisition, recapitalization, maintenance, disposition, real property utilization and long-term stewardship. This document and all functions of INL are guided by the DOE Vision for INL and the INL Mission and builds on the baseline established in the FY 2015 CLUES Report. However, it delivers a revised structure with focus on new resource management zones, which provide organization of key management considerations and access restrictions to optimize land use and environmental stewardship. A new set of thematic Guiding Principles presented in this report provide the intent and sustainable management direction to protect the INL Site natural environment. They demonstrate that the mission and vision of DOE and INL can be realized with inclusion of first of a kind technology, private sector development, and globally recognized testing and demonstration. This CLUES Report encourages comprehensive management decision-making with additional resource discussions for sustainability, the built environment, and the ecological landscape at the INL Site. Enhanced resource considerations and trends emphasize the importance of air, land use, environmental, subsurface, and cultural resources. The INL Site supports exceptional and interdependent resources. A diversity of bat species are accommodated by culturally significant caves distributed around the Site. Big game species like elk, deer, and moose seek vegetation communities which are protected by long-term stewardship and monitoring programs.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2022

Investigation of INL Site Implementation of ARG-US

The Packaging Certification and Life Cycle Management department at Argonne National Laboratory (ANL) developed a suite of monitoring systems collectively referred to here as ARG-US. ARG-US is used to provide necessary data for nuclear facility and system operation and maintenance. ARG-US has been previously demonstrated in hot cells, radioactive material (RAM) storage areas, and RAM shipment trucks. It has also been installed directly on RAM storage and shipment containers. ARG-US offers some unique advantages over other commercially available systems by using wireless data connections, battery power supplies, and customizable monitoring methods. Idaho National Laboratory (INL) has been tasked with investigating applications for ARG-US at INL site facilities, which are operated by several different contractors. The initial investigation scope centered on CPP-603 Wet & Dry Fuel Storage Facility in relation to the upcoming DOE Spent (SNF) Packaging Demonstration. The investigation has been led by the Used Fuel Management Department in the Nuclear Science and Technology Directorate. This investigation is expected to recommend processes or facilities at the INL site at which to implement ARG-US systems. INL has engaged local site technical and oversite representatives, security, nuclear safeguards, and program management to identify good candidates for ARG-US test implementations. INL has identified high-level goals for any INL site implementation of ARG-US: provide unique testing environments, prompt development of new monitoring methods/techniques for the ARG-US suite, and acquire useful monitoring for the user facility. To these ends, INL suggests 3 program areas for further investigation: CPP-603 Fuel Handling Cave (FHC), legacy mixed waste storage systems at Idaho Nuclear Technology & Engineering Center (INTEC) known as the “tank farm”, and periodic and emergency environmental monitoring. This progress report relates activities undertaken in this investigation, describes the preliminary areas of interest for limited scope ARG-US testing or implementation, and relays expected actions needed to complete the task scope. This report offers an opportunity to the program sponsor, technical leads at ANL, and INL site representatives to give feedback on the initial assessment and make recommendations on the forthcoming activities.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Overview on Shielding Analyses for the VENUS Instrument at SNS

VENUS, a world‐class versatile neutron imaging instrument, is under construction and is expected to be completed and ready to start commissioning in 2023. The range of cold to epithermal neutrons at SNS will give users of VENUS access to novel imaging methods, as well as to significantly improved existing methods. The instrument is being built on beam line 10 at Spallation Neutron Source (SNS) First Target Station (FTS) facing a decoupled poisoned hydrogen moderator. Instrument design, which includes optics, Front-End components and instrument enclosure components and shape started over 10 years ago and during this time had significant changes. All changes were supported by neutronics analyses to provide adequate shielding for both Front-End and instrument enclosure.Final optics design will provide the field of view (FOV) at the detector position (where the image is formed) to be as high as 0.20 by 0.20 m. Both the beam, which contains a large fraction of high-energy neutrons, and the desire for a large footprint on the detector are challenges for shielding design and budget, because the driving cost for the instrument is the beam line and enclosure shielding. For cost reason VENUS baseline design is optimized with respect to both the instrument cave footprint and its wall thickness, and Front-End shielding is tailored along the beam. Analyses are performed with the Monte Carlo particle transport code MCNPX version 2.7.0 to make choices on materials, thicknesses and configurations of the shielding. Numerous calculations are performed to meet space and coast constrain and to satisfy instrument physics needs and to comply with radiation protection requirements.

Gallmeier, Franz X.↗
DOE OSTI2020

Evaluation of Techniques for Vegetation Removal from UAV-Based Photogrammetric DSM near WIPP Land Withdrawal Act Boundary, NM

The Waste Isolation Pilot Plant is located within New Mexico's karst landscape and is the United States' only deep geologic radioactive waste repository which isolates transuranic waste from defense activities underground in a bedded salt formation. Characteristic karst topography in this region is made up of material (such as limestone) that can be dissolved by water over a long period of time, and includes features such as springs, surface streams, sinking streams, caves, and sinkholes. Karst features can potentially impact the integrity of the waste repository in the future and compromise WIPP's performance, particularly when coupled with incompatible land-use activities within the Land Withdrawal Act (LWA) boundary as well as increased water withdrawals outside the LWA. In order to better capture the ground surface topography to support hydrology modeling efforts, the U.S. DOE has enlisted FIU to develop a high-resolution digital elevation model (DEM). In a previous field study, a high-resolution digital surface model (DSM) of an adjacent representative site, Basin 6, was developed by photogrammetry using aerial images captured with unmanned aerial vehicles. The DSM generated was based on point clouds representing the entire landscapes, including points of terrain, vegetation and infrastructure. These above-ground features need to be removed to create a DSM/DEM with good representation of the bare ground. In recent years, many techniques including both pre- and post-processing of DSMs, were developed for vegetation removal with varied success. This research focuses on applying and comparing various vegetation removal methods using point clouds generated of the Basin 6 pilot study area. The 3D RGB-based point cloud classification using Python scripts was a modification of the procedure by Themistocleous (2019). The method using Liblas classifies the point cloud three-dimensionally, whereas the method by Themistocleous (2019) is two-dimensional. The preliminary result of the method using Liblas, however, still had a large amount of vegetation remaining compared to the Pix4D Machine Learning method. The vegetation layer remains highly visible in the DEMs processed using the vegetation indices as opposed to the Pix4D Machine Learning method, which produces a DEM where mostly bare ground is seen. Further modifications to the input parameters are required to improve the vegetation vs. bare ground classification using this approach. The next step will be to improve the method using Liblas and to also test other vegetation removal methods found in the literature review to compare them against the two described here.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

An ASME-Compliant Helium-4 Evaporation Refrigerator for the SpinQuest Experiment

This paper presents the design, safety basis, and commissioning results of a 1 K liquid helium-4 (4He) evaporation refrigerator developed for the Fermilab SpinQuest Experiment (E1039). The system represents the first high power helium evaporation refrigerator operated in a fixed target scattering experiment at Fermilab and was engineered to comply with the Fermilab ES&H Manual (FESHM) requirements governing pressure vessels, piping, cryogenic systems, and vacuum vessels. The design is mapped to ASME B31.3 (Process Piping) and the ASME Boiler and Pressure Vessel Code (BPVC) for pressure boundary integrity and overpressure protection, with documented compliance to FESHM Chapters 5031 (Pressure Vessels), 5031.1 (Piping Systems), and 5033 (Vacuum Vessels). This work documents the methodology used to reach compliance and approval for the 4He evaporation refrigerator at Fermilab which the field lacks. Design considerations specific to the high radiation target-cave environment including remotely located instrumentation approximately 20 m from the cryostat are summarized, together with the relief-system sizing methodology used to accommodate transient heat loads from dynamic nuclear polarization microwaves and the high-intensity proton beam. Commissioning data from July 2024 confirms that the system satisfies all thermal performance and safety objectives.

Roberts, Jordan D. [Virginia U.]↗
DOE OSTI2025

Exploring the Use of Large Immersive Display Systems in the Nuclear Industry

Large immersive display systems play a critical role in the nuclear industry by enabling advanced training, design reviews, scientific visualization, and safety simulations. These systems, such as CAVE and powerwalls, allow engineers and operators to interact with virtual nuclear environments in real-time, providing a deeper understanding of complex systems. Their ability to simulate real-world scenarios for testing and optimization in a safe, controlled environment ensures that operators and engineers can refine process, enhance safety protocols, and troubleshoot complex challenges. This article outlines key lessons learned from deploying these systems, practical insights into their applications, and considerations for future improvements, aiming to guide their broader adoption and effective use in the nuclear industry.

99 - GENERAL AND MISCELLANEOUS↗
DOE OSTI2025

GPR_calculator: An on-the-fly surrogate model to accelerate massive nudged elastic band calculations

We present GPR_calculator, a package based on Python and C++ programming languages to build an on-the-fly surrogate model using Gaussian Process Regression (GPR) to approximate computationally expensive electronic structure calculations. The key idea is to dynamically train a GPR model during the simulation that can accurately predict energies and forces with uncertainty quantification. When the uncertainty is high, the costly electronic structure calculation is performed to obtain the ground truth data, which is then used to update the GPR model. To illustrate the effectiveness of GPR_calculator, we demonstrate its application in Nudged Elastic Band (NEB) simulations of surface diffusion and reactions, achieving 3-10 times acceleration compared to pure ab initio calculations. The source code is available at https://github.com/MaterSim/GPR_calculator.

Gaussian process regression↗
DOE OSTI2023

Polychlorinated biphenyls, polychlorinated dibenzo- p -dioxins, polychlorinated dibenzofurans, pesticides, and diabetes in the Anniston Community Health Survey follow-up (ACHS II): single exposure and mixture analysis approaches

Dioxins and dioxin-like compounds measurements were added to polychlorinated biphenyls (PCBs) and organochlorine pesticides to expand the exposure profile in a follow-up to the Anniston Community Health Survey (ACHS II, 2014) and to study diabetes associations. Participants of ACHS I (2005–2007) still living within the study area were eligible to participate in ACHS II. Diabetes status (type-2) was determined by a doctor's diagnosis, fasting glucose ≥125 mg/dL, or being on any glycemic control medication. Incident diabetes cases were identified in ACHS II among those who did not have diabetes in ACHS I, using the same criteria. Thirty-five ortho-substituted PCBs, 6 pesticides, 7 polychlorinated dibenzo-p-dioxins (PCDD), 10 furans (PCDF), and 3 non-ortho PCBs were measured in 338 ACHS II participants. Dioxin toxic equivalents (TEQs) were calculated for all dioxin-like compounds. Main analyses used logistic regression models to calculate odds ratios (OR) and 95 % confidence intervals (CI). In models adjusted for age, race, sex, BMI, total lipids, family history of diabetes, and taking lipid lowering medication, the highest ORs for diabetes were observed for PCDD TEQ: 3.61 (95 % CI: 1.04, 12.46), dichloro-diphenyl dichloroethylene (p,p’-DDE): 2.07 (95 % CI 1.08, 3.97), and trans-Nonachlor: 2.55 (95 % CI 0.93, 7.02). The OR for sum 35 PCBs was 1.22 (95 % CI: 0.58–2.57). To complement the main analyses, we used BKMR and g-computation models to evaluate 12 mixture components including 4 TEQs, 2 PCB subsets and 6 pesticides; suggestive positive associations for the joint effect of the mixture analyses resulted in ORs of 1.40 (95% CI: -1.13, 3.93) for BKMR and 1.32 (95% CI: -1.12, 3.76) for g-computation. Furthermore, the mixture analyses provide further support to previously observed associations of trans-Nonachlor, p,p’- DDE, PCDD TEQ and some PCB groups with diabetes.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Direct Deoxygenation of Phenol over Fe-Based Bimetallic Surfaces Using On-the-Fly Surrogate Models

We present an accelerated nudged elastic band (NEB) study of phenol direct deoxygenation (DDO) on Fe-based bimetallic surfaces using a recently developed Gaussian process regression (GPR) calculator. Our test calculations demonstrate that the GPR calculator achieves up to 3 times speedup compared to conventional density functional theory calculations while maintaining high accuracy, with energy barrier errors below 0.015 eV. Using GPR-NEB, we systematically examine the DDO mechanism on pure Fe(110) and surfaces modified with Co and Ni in both top and subsurface layers. Our results show that subsurface Co and Ni substitutions preserve favorable thermodynamics and kinetics for both C–O bond cleavage and C–H bond formation, comparable to those on the pure Fe(110) surface. In contrast, top-layer substitutions generally increase the C–O bond cleavage barrier, render the step endothermic, and result in significantly higher reverse reaction rates, making DDO unfavorable on these surfaces. This work demonstrates the effectiveness of GRR-accelerated transition state searches for complex surface reactions and provides insights into rational design of bimetallic catalysts for selective deoxygenation.

Aromatic compounds↗
DOE OSTI2026

AI-assisted rapid crystal structure generation towards a target local environment

In material design, traditional crystal structure prediction approaches are expensive as they require extensive structural sampling through expensive energy minimization methods. Emerging artificial intelligence (AI) generative models have shown great promise in rapidly generating realistic crystals, but they typically handle only a few tens of atoms per unit cell. To overcome this limitation, we introduce a symmetry-informed approach, the Local Environment Geometry-Oriented Crystal Generator (LEGO-xtal). Our method generates initial structures using AI models trained on an augmented dataset, and then optimizes them using structure descriptors rather than energy-based optimization. We demonstrate its effectiveness by expanding from 25 known low-energy sp2 carbon allotropes to over 1700, all within 0.5 eV/atom of the ground-state energy of graphite. This framework offers a generalizable strategy for the targeted design of materials with modular building blocks, such as metal-organic frameworks and battery materials.

Ridwan, Osman Goni [University of North Carolina a↗
DOE OSTI2020

AI reflections in 2019

There is no shortage of opinions on the impact of artificial intelligence and deep learning. For this work, we invited authors of Comment and Perspective articles that we published in roughly the first half of 2019 to look back at the year and give their thoughts on how the issue they wrote about developed.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

2022 roadmap on low temperature electrochemical CO 2 reduction

Abstract Electrochemical CO 2 reduction (CO 2 R) is an attractive option for storing renewable electricity and for the sustainable production of valuable chemicals and fuels. In this roadmap, we review recent progress in fundamental understanding, catalyst development, and in engineering and scale-up. We discuss the outstanding challenges towards commercialization of electrochemical CO 2 R technology: energy efficiencies, selectivities, low current densities, and stability. We highlight the opportunities in establishing rigorous standards for benchmarking performance, advances in in operando characterization, the discovery of new materials towards high value products, the investigation of phenomena across multiple-length scales and the application of data science towards doing so. We hope that this collective perspective sparks new research activities that ultimately bring us a step closer towards establishing a low- or zero-emission carbon cycle.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Crystal generation using the fully differentiable pipeline and latent space optimization

We present a materials generation framework that couples a symmetry-conditioned variational autoencoder with a differentiable SO(3) power spectrum objective to steer candidates toward a specified local environment under the crystallographic constraints. In particular, we implement a fully differentiable pipeline that performs batch-wise optimization on both direct and latent crystallographic representations. Using the GPU acceleration, the implementation achieves about fivefold speed compared to our previous CPU workflow, while yielding comparable outcomes. In addition, we introduce the optimization strategy that alternatively performs optimization on the direct and latent crystal representations. This dual-level relaxation approach can effectively escape local minima defined by different objective gradients, thus increasing the success rate of generating complex structures satisfying the target local environments. This framework can be extended to systems consisting of multi-components and multi-environments, providing a scalable route to generate material structures with the target local environment.

conditional VAE↗
DOE OSTI2022

Precision half-life determination for the β + emitter N 13

A new precision half-life measurement of 13 N has been conducted using the TwinSol β-counting station at the University of Notre Dame. Here, the measured value of $t^{new}_{1/2}$ = 597.05(19) s differs from the previous world value by about 2.8σ. An evaluation of the 13N half-life results in a $t^{world}_{1/2}$ = 597.19(22) s. Updated Standard Model predictions for the Fermi to Gamow-Teller mixing ratio ρ and its associated correlation parameters have been calculated using the new 13 N world half life in preparation for a future measurement of the mixing ratio. Finally, an ab initio no-core configuration interaction (NCCI) calculation for the B(GT) of this decay, carried out using the Daejeon16 interaction, has been carried out, revealing the need for higher-order chiral corrections.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗