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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 1,009 records · Page 56
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Fission In R-process Elements (FIRE) - Quarterly Report (Q2FY22)

The goal of the FIRE topical collaboration in nuclear theory was to determine the astrophysical conditions of the rapid neutron capture process (r-process), which is responsible for the formation of heavy elements. This was be achieved by including in r-process simulations the most advanced models of fission (spontaneous, neutron-induced, β-delayed) that have been developed at LLNL and LANL. The collaboration was composed of LLNL (lead) and LANL for fission work, BNL for nuclear data management, and the university of Notre Dame and North Carolina State University for r-process simulations. Under DOE/NNSA agreement, both universities received funds from DOE Office of Science, while national laboratories receive funds directly from NA221.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Fission In R-process Elements (FIRE)

The goal of the FIRE topical collaboration in nuclear theory was to determine the astrophysical conditions of the rapid neutron capture process (r-process), which is responsible for the formation of heavy elements. This was be achieved by including in r-process simulations the most advanced models of fission (spontaneous, neutron-induced, β-delayed) that have been developed at LLNL and LANL. The collaboration was composed of LLNL (lead) and LANL for fission work, BNL for nuclear data management, and the university of Notre Dame and North Carolina State University for r-process simulations. Under DOE/NNSA agreement, both universities received funds from DOE Office of Science, while national laboratories receive funds directly from NA221.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Fission In R-process Elements (FIRE) (NA-22 Quarterly Report, Q4FY22)

The goal of the FIRE topical collaboration in nuclear theory was to determine the astrophysical conditions of the rapid neutron capture process (r-process), which is responsible for the formation of heavy elements. This was be achieved by including in r-process simulations the most advanced models of fission (spontaneous, neutron-induced, β-delayed) that have been developed at LLNL and LANL. The collaboration was composed of LLNL (lead) and LANL for fission work, BNL for nuclear data management, and the university of Notre Dame and North Carolina State University for r-process simulations. Under DOE/NNSA agreement, both universities received funds from DOE Office of Science, while national laboratories receive funds directly from NA221.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Grid-Ready Energy Analytics Training with Data (“GREAT with Data”)

GridEd is a collaborative educational initiative consisting of the Electric Power Research Institute (EPRI), 5 Partner Universities (Stony Brook University, The University of Texas at Austin, University of California – Riverside, Virginia Tech, Washington State University), and participating industry sponsors. This educational initiative focuses on developing and training the next generation of power engineers so they can help shape the electric grid of the future by anticipating and fulfilling the needs of changing electric industry requirements. GridEd is leveraging electric industry research to educate a future electric grid workforce by empowering new and continuing education students, not only to become competent and well-informed engineers, but also to participate and influence major technological, social, and policy decisions that address critical global challenges. GridEd’s activities are centered around four core pillars: Enhancement of university power systems engineering curricula; Professional development and training for a diverse electric industry workforce; Stimulating students to join the movement for the next generation of power engineers, and; Improve workforce development efforts in the electric utility industry. Major accomplishments over the course of the project were: Over 50 unique professional short courses were delivered by more than 30 instructors across the GridEd network; Over 3,600 unique learners, many who took multiple courses, received more than 27,000 professional development hours (PDH) and over 1,000 certificates of completion; Approximately 2,900 unique learners undertook a course that was offered LIVE online or in-person; Approximately 700 unique learners undertook a course that was offered as computer-based training (CBT); Over 35 unique university courses were delivered by more than 30 instructors to 1,500 university students across the GridEd network; One-hundred-and-fifty-seven (157) students were funded to completed 43 student projects in topics of power systems and data science, and; Six (6) Historically Black Colleges and Universities (HBCUs) recruited as Affiliate Universities via Utility Partners. The professional training initiative and workforce development activities launched by this project will be sustained through EPRI’s collaborative business model with industry. Stimulating students to join the power engineering workforce of the future and the enhancement of tertiary training may continue to need government support.

14 SOLAR ENERGY↗
DOE OSTI2015

Whitepaper prepared for DOE Workshop on Integrated Simulations for Magnetic Fusion Energy Sciences: Topic E: Beyond interpretive simulations

Predictive simulations of magnetic confinement fusion and burning plasmas will require the quantification of all uncertainties and errors relating to the simulation capabilities. These include: discretization error (temporal and spatial); incomplete convergence error (nonlinear, linear, etc.); uncertainties in input data (initial conditions, boundary conditions, coefficients, thermo-physical properties, source terms, etc.); and uncertainties in the component models (the specific form and parameter values).13 Typically, there is a focus on model parameter uncertainties but uncertainties about which model to use and about the bias or discrepancy of a particular model (sometimes called model form error) often dominate parameter uncertainty. This whitepaper addresses the challenges of performing uncertainty quantification (UQ) for expensive computational models.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Model to predict annual energy production loss based on blade erosion class

Leading edge erosion (LEE) of wind turbine blades has been identified as a major factor in decreased wind turbine blade lifetimes and energy output over time. Accordingly, the International Energy Agency Wind Technology Collaboration Programme (IEA Wind TCP) has created the Task 46 to undertake cooperative research in the key topic of blade erosion. Participants in the task are given in Table 1.

17 WIND ENERGY↗
DOE OSTI2018

Potential Experimental Topics for EGS Collab Experiment 3

To facilitate the success of FORGE, the DOE GTO has initiated a new research effort, the EGS Collab project, which will utilize readily accessible underground facilities that can refine our understanding of rock mass response to stimulation and provide a test bed at intermediate (~10 m) scale for the validation of thermal-hydrological-mechanical-chemical modeling approaches as well as novel monitoring tools. The first two EGS Experiments 1 and 2 are planned be performed under different stress/fracture conditions, and will evaluate different stimulation processes: Experiment 1 will focus on hydrofracturing of a competent rock mass, while Experiment 2 will concentrate on hydroshearing of a rock mass that contains natural fractures. Experiment 3 is scheduled to begin in 2019 will build off the lessons learned in Experiments 1 and 2 and will investigate alternate stimulation and operation methods to improve heat extraction in an EGS reservoir. This paper evaluates potential experiments that could potentially be conducted in Experiment 3. The two technical parameters defining energy extracted from EGS reservoirs with the highest economic uncertainty and risk are the production well flow rates and the reservoir thermal drawdown rate. A review of historical and currently on-going EGS studies has identified that over 1/2 of the projects have identified heat extraction challenges during their operation associated with these two parameters as well as some additional secondary issues. At present, no EGS reservoir has continuously produced flow rates on the order of 80 kg/s. Short circuiting (i.e. early thermal breakthrough) has been identified in numerous cases. In addition, working fluid loss (i.e. the difference between the injected fluid mass and the extracted fluid mass as compared to the injected mass) has been as high as 90%. Finally, the engineering aspects of operating a true EGS multi-fracture reservoir such as repairing/modifying fractures and controlling working fluid fluxes within multiple fractures for the effective EGS fracture management has not been sufficiently studied. To examine issues such as these, EGS Collab Experiment 3 may be conducted in the testbeds prepared for Experiments 1 and 2 by improving the previously performed stimulations, or conducted at a new site performing new stimulations with alternate method. Potential experiments may include using different stimulation and working fluids, evaluating different stimulation methods, using proppants to enhance permeability, and other high-risk high-reward methods that can be evaluated at the 10-m scale environment.

15 GEOTHERMAL ENERGY↗
DOE OSTI2018

Potential Experimental Topics for EGS Collab Experiment 3

To facilitate the success of FORGE, the DOE GTO has initiated a new research effort, the EGS Collab project, which will utilize readily accessible underground facilities that can refine our understanding of rock mass response to stimulation and provide a test bed at intermediate (~10 m) scale for the validation of thermal-hydrological-mechanical-chemical modeling approaches as well as novel monitoring tools. The first two EGS Experiments 1 and 2 are planned be performed under different stress/fracture conditions, and will evaluate different stimulation processes: Experiment 1 will focus on hydrofracturing of a competent rock mass, while Experiment 2 will concentrate on hydroshearing of a rock mass that contains natural fractures. Experiment 3 is scheduled to begin in 2019 will build off the lessons learned in Experiments 1 and 2 and will investigate alternate stimulation and operation methods to improve heat extraction in an EGS reservoir. This paper evaluates potential experiments that could potentially be conducted in Experiment 3. The two technical parameters defining energy extracted from EGS reservoirs with the highest economic uncertainty and risk are the production well flow rates and the reservoir thermal drawdown rate. A review of historical and currently on-going EGS studies has identified that over ½ of the projects have identified heat extraction challenges during their operation associated with these two parameters as well as some additional secondary issues. At present, no EGS reservoir has continuously produced flow rates on the order of 80 kg/s. Short circuiting (i.e. early thermal breakthrough) has been identified in numerous cases. In addition, working fluid loss (i.e. the difference between the injected fluid mass and the extracted fluid mass as compared to the injected mass) has been as high as 90%. Finally, the engineering aspects of operating a true EGS multi-fracture reservoir such as repairing/modifying fractures and controlling working fluid fluxes within multiple fractures for the effective EGS fracture management has not been sufficiently studied. To examine issues such as these, EGS Collab Experiment 3 may be conducted in the testbeds prepared for Experiments 1 and 2 by improving the previously performed stimulations, or conducted at a new site performing new stimulations with alternate method. Potential experiments may include using different stimulation and working fluids, evaluating different stimulation methods, using proppants to enhance permeability, and other high-risk high-reward methods that can be evaluated at the 10-m scale environment.

15 GEOTHERMAL ENERGY↗
DOE OSTI2019

Environmental pH and peptide signaling control virulence of Streptococcus pyogenes via a quorum-sensing pathway

Bacteria control gene expression in concert with their population density by a process called quorum sensing, which is modulated by bacterial chemical signals and environmental factors. In the human pathogen Streptococcus pyogenes , production of secreted virulence factor SpeB is controlled by a quorum-sensing pathway and environmental pH. The quorum-sensing pathway consists of a secreted leaderless peptide signal (SIP), and its cognate receptor RopB. Here, we report that the SIP quorum-sensing pathway has a pH-sensing mechanism operative through a pH-sensitive histidine switch located at the base of the SIP-binding pocket of RopB. Environmental acidification induces protonation of His144 and reorganization of hydrogen bonding networks in RopB, which facilitates SIP recognition. The convergence of two disparate signals in the SIP signaling pathway results in induction of SpeB production and increased bacterial virulence. Our findings provide a model for investigating analogous crosstalk in other microorganisms.

Science & Technology - Other Topics↗
DOE OSTI2019

Electrical detection of current generated spin in topological insulator surface states: Role of interface resistance

Current generated spin polarization in topological insulator (TI) surface states due to spin-momentum locking has been detected recently using ferromagnet/tunnel barrier contacts, where the projection of the TI spin onto the magnetization of the ferromagnet is measured as a voltage. However, opposing signs of the spin voltage have been reported, which had been tentatively attributed to the coexistence of trivial two-dimensional electron gas states on the TI surface which may exhibit opposite current-induced polarization than that of the TI Dirac surface states. Models based on electrochemical potential have been presented to determine the sign of the spin voltage expected for the TI surface states. However, these models neglect critical experimental parameters which also affect the sign measured. Here we present a Mott two-spin current resistor model which takes into account these parameters such as spin-dependent interface resistances, and show that such inclusion can lead to a crossing of the voltage potential profiles for the spin-up and spin-down electrons within the channel, which can lead to measured spin voltages of either sign. These findings offer a resolution of the ongoing controversy regarding opposite signs of spin signal reported in the literature, and highlight the importance of including realistic experimental parameters in the model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Time-dependent view of an isotope effect in electron-nuclear nonequilibrium dynamics with applications to N 2

Isotopic fractionation in the photodissociation of N 2 could explain the considerable variation in the 14 N/ 15 N ratio in different regions of our galaxy. We previously proposed that such an isotope effect is due to coupling of photoexcited bound valence and Rydberg electronic states in the frequency range where there is strong state mixing. We here identify features of the role of the mass in the dynamics through a time-dependent quantum-mechanical simulation. The photoexcitation of N 2 is by an ultrashort pulse so that the process has a sharply defined origin in time and so that we can monitor the isolated molecule dynamics in time. An ultrafast pulse is necessarily broad in frequency and spans several excited electronic states. Each excited molecule is therefore not in a given electronic state but in a superposition state. A short time after excitation, there is a fairly sharp onset of a mass-dependent large population transfer when wave packets on two different electronic states in the same molecule overlap. This coherent overlap of the wave packets on different electronic states in the region of strong coupling allows an effective transfer of population that is very mass dependent. The extent of the transfer depends on the product of the populations on the two different electronic states and on their relative phase. It is as if two molecules collide but the process occurs within one molecule, a molecule that is simultaneously in both states. An analytical toy model recovers the (strong) mass and energy dependence.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Language models for materials discovery and sustainability: Progress, challenges, and opportunities

Significant advancements have been made in one of the most critical branches of artificial intelligence: natural language processing (NLP). These advancements are exemplified by the remarkable success of OpenAI’s GPT-3.5/4 and the recent release of GPT-4.5, which have sparked a global surge of interest akin to an NLP gold rush. Here, in this article, we offer our perspective on the development and application of NLP and large language models (LLMs) in materials science. We begin by presenting an overview of recent advancements in NLP within the broader scientific landscape, with a particular focus on their relevance to materials science. Next, we examine how NLP can facilitate the understanding and design of novel materials and its potential integration with other methodologies. To highlight key challenges and opportunities, we delve into three specific topics: (i) the limitations of LLMs and their implications for materials science applications, (ii) the creation of a fully automated materials discovery pipeline, and (iii) the potential of GPT-like tools to synthesize existing knowledge and aid in the design of sustainable materials.

36 MATERIALS SCIENCE↗