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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 1,459 records · Page 81
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Automated identification of elemental ions in macromolecular crystal structures

The solvent-picking procedure in phenix.refine has been extended and combined with Phaser anomalous substructure completion and analysis of coordination geometry to identify and place elemental ions. Many macromolecular model-building and refinement programs can automatically place solvent atoms in electron density at moderate-to-high resolution. This process frequently builds water molecules in place of elemental ions, the identification of which must be performed manually. The solvent-picking algorithms in phenix.refine have been extended to build common ions based on an analysis of the chemical environment as well as physical properties such as occupancy, B factor and anomalous scattering. The method is most effective for heavier elements such as calcium and zinc, for which a majority of sites can be placed with few false positives in a diverse test set of structures. At atomic resolution, it is observed that it can also be possible to identify tightly bound sodium and magnesium ions. A number of challenges that contribute to the difficulty of completely automating the process of structure completion are discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Mathematical Modeling of Nonstationary Separation Processes in a Cascade of Gas Centrifuges for Separation of Tungsten Isotopes

We have developed and program-realized a mathematical model of nonstationary separation processes proceeding in cascades of gas centrifuges for separation of multicomponent isotope mixtures. With the help of this model we have calculated the parameters of nonstationary separation processes proceeding in the cascades of gas centrifuges for tungsten isotope separation. It has been shown that the model adequately describes the nonstationary processes in the cascade and is suitable for calculating their parameters during separation of multicomponent isotope mixtures.

42 ENGINEERING↗
DOE OSTI2014

End-User Evaluation of SHARP for Analysis of Sodium-Cooled Fast Reactors

The DOE Nuclear Energy Advanced Modeling and Simulation (NEAMS) program is developing the SHARP toolkit to support growing reactor analysis needs in other programs. Although SHARP includes physics modules—especially the computational fluid dynamics code Nek5000 and the structural mechanics tools in Diablo—that have an existing user-base in other fields, most of the analysis and validation efforts for nuclear reactor applications have been performed by members of SHARP’s own development team. The SHARP development team includes engineers and computational scientists from a diverse set of backgrounds, including nuclear engineering. However, before the SHARP tools can be adopted by the Advanced Reactor Technology (ART) program to support the analysis of sodium-cooled fast reactors (SFRs), it would be beneficial for an outside set of analysts and engineers to begin using SHARP and providing feedback to both programs. The authors of this report were charged with learning to use SHARP, applying SHARP to SFR analyses of interest to ART, evaluating the tools, and providing a set of recommendations and requirements to guide future development efforts by the NEAMS program. The authors are engineers (nuclear, mechanical, and civil) by training; all have experience in modeling and simulation for nuclear energy applications; all have either supported ART directly or report to a supervisor who does. This report is a formal summary of the findings of this team of engineers—the potential end-users of SHARP for ART activities. In an informal way, this effort also opened up communication lines between the SHARP developers and ART engineers, which will continue beyond the scope of this effort.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

Hydrogen Education for a Decarbonized Global Economy (H 2 EDGE) (Final Technical Report)

The energy sector is undergoing rapid growth and transformation, creating urgent demand for a skilled workforce to support emerging technologies and resilient systems. Hydrogen is an emerging solution for “hard to abate” sectors, including heavy industry and transportation that also provides optionality for the electric system and enables long‑duration energy storage. As hydrogen scales from traditional industrial uses to new applications, success depends on knowledgeable engineers, technicians, planners, and operators safely deploying hydrogen technologies across the full value chain: production, delivery, storage, and end use. The H 2 EDGE initiative, funded by the U.S. Department of Energy’s Hydrogen and Fuel Cell Technologies Office from 2020 to 2025, was launched to prepare people for careers hydrogen and related technologies. Through its interactive approach, H 2 EDGE equipped stakeholders with knowledge and tools to build a reliable and sustainable energy future together. H 2 EDGE built a national network of academic and industry partners to deliver modular training, share open-access curricula, and engage diverse talent pipelines. The program leveraged EPRI’s extensive industry membership and expanded on the train-the-trainer model of the GridEd program to connect educators, employers, and community organizations across all regions of the U.S. New methods were introduced to more systematically map hydrogen competencies and assess curricula using traditional and AI-assisted approaches. Outcomes included delivery of professional short courses, developing university curriculum, sponsoring faculty and student projects, and engaging stakeholders through workshops, site tours, and webinars.

08 HYDROGEN↗
DOE OSTI2024

Simplification of the Grid Model and its Impact on the Analysis of Electrical Power Systems

Here, this paper analyzes the impact of the use of Kron reduction on the state variables of a three-phase electrical system, even when it does not meet the necessary conditions for its application. Reduction is applied to a power line model to eliminate the equation corresponding to the neutral conductor of the line. The ATP program is used to model and simulate the behavior of an electrical system considering different degrees of disequilibrium as a reference for the comparison of results. The results show that under certain conditions of disequilibrium the Kron reduction can lead to significant errors in the state variables of the system.

Electric Power Systems↗
DOE OSTI2022

Modeling Distributed Energy Resources for Analyzing Distribution Systems with High Renewable Penetration: Preprint

Increasing levels of inverter-based distributed energy resources (IBDERs) impact the legacy overcurrent distribution protection systems. The fault current injections of IBDERs are limited to between 1-2 p.u. of the rated current. The combination of the limited fault current and varying system load makes it increasingly difficult to reliably set the overcurrent protection. To address this challenge, researchers are proposing adaptive overcurrent protection mechanisms that can adapt to changing system conditions. Accurate modeling of IBDERs is required to develop reliable protection schemes. This paper presents a photovoltaics-based IBDER model in OpenDSS for adaptive overcurrent protection. The paper presents the validation of the proposed IBDER model against a detailed model in electromagnetic transient programs. Protection analysis of the Electric Power Research Institute J1 feeder with the proposed IBDER model is also presented.

adaptive↗
DOE OSTI2016

Trading strategies for distribution company with stochastic distributed energy resources

This paper proposes a methodology to address the trading strategies of a proactive distribution company (PDISCO) engaged in the transmission-level (TL) markets. A one-leader multi-follower bilevel model is presented to formulate the gaming framework between the PDISCO and markets. The lower-level (LL) problems include the TL day-ahead market and scenario-based real-time markets, respectively with the objectives of maximizing social welfare and minimizing operation cost. The upper-level (UL) problem is to maximize the PDISCO’s profit across these markets. The PDISCO’s strategic offers/bids interactively influence the outcomes of each market. Since the LL problems are linear and convex, while the UL problem is non-linear and non-convex, an equivalent primal–dual approach is used to reformulate this bilevel model to a solvable mathematical program with equilibrium constraints (MPEC). The effectiveness of the proposed model is verified by case studies.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2018

Modeling and Simulations of Thermal-Fluid Phenomena Related to Pressurized Conduction Cooldown in High Temperature Gas Reactor

Under the support of DOE-NE’s Nuclear Energy Advanced Modeling and Simulation (NEAMS) Program, an effort is being pursued to support High Temperature Gas Reactors (HTGR) technology development and its modeling and simulation needs. There is a particular need for advanced modeling & simulation tools to predict thermal-fluid behavior in the nuclear reactor primary system—especially the core and lower and upper plena—during safety-related transients.To help accomplish this, we must provide confidence in the reliability and accuracy of the thermal fluid simulation tools being developed under the NEAMS program for HTGR applications. The benchmark simulations of the available experimental tests would help us in this effort.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2015

Warthog: A MOOSE-Based Application for the Direct Code Coupling of BISON and PROTEUS

The Nuclear Energy Advanced Modeling and Simulation (NEAMS) program from the Department of Energy's Office of Nuclear Energy provides a robust toolkit for the modeling and simulation of current and future advanced nuclear reactor designs. This toolkit provides these technologies organized across product lines: two divisions targeted at fuels and end-to-end reactor modeling, and a third for integration, coupling, and high-level workflow management. The Fuels Product Line and the Reactor Product line provide advanced computational technologies that serve each respective field well, however, their current lack of integration presents a major impediment to future improvements of simulation solution fidelity. There is a desire for the capability to mix and match tools across Product Lines in an effort to utilize the best from both to improve NEAMS modeling and simulation technologies. This report details a new effort to provide this Product Line interoperability through the development of a new application called Warthog. This application couples the BISON Fuel Performance application from the Fuels Product Line and the PROTEUS Core Neutronics application from the Reactors Product Line in an effort to utilize the best from all parts of the NEAMS toolkit and improve overall solution fidelity of nuclear fuel simulations. To achieve this, Warthog leverages as much prior work from the NEAMS program as possible, and in doing so, enables interoperability between the disparate MOOSE and SHARP frameworks, and the libMesh and MOAB mesh data formats. This report describes this work in full. We begin with a detailed look at the individual NEAMS framework technologies used and developed in the various Product Lines, and the current status of their interoperability. We then introduce the Warthog application: its overall architecture and the ways it leverages the best existing tools from across the NEAMS toolkit to enable BISON-PROTEUS integration. Furthermore, we show how Warthog leverages a tool known as DataTransferKit to seamlessly enable the transfer for solution data between disparate frameworks and mesh formats. To end, we demonstrate tests for the direct software coupling of BISON and PROTEUS using Warthog, and discuss current impediments and solutions to the construction of physically realistic input models for this coupled BISON-PROTEUS system.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2016

WE-H-201-04: Models for Developing Medical Physics Educators and Education Programs in the Developing Countries and the Potential Role of US Universities and Individual Medical Physicists

The desperate need for radiotherapy in low and mid-income countries (LMICs) has been well documented. Roughly 60 % of the worldwide incidence of cancer occurs in these resource-limited settings and the international community alongside governmental and non-profit agencies have begun publishing reports and seeking help from qualified volunteers. However, the focus of several reports has been on how dire the situation is and the magnitude of the problem, leaving most to feel overwhelmed and unsure as to how to help and why to get involved. This session will help to explain the specific ways that Medical Physicists can uniquely assist in this grand effort to help bring radiotherapy to grossly-underserved areas. Not only can these experts fulfill an important purpose, they also can benefit professionally, academically, emotionally and socially from the endeavor. By assisting others worldwide with their skillset, Medical Physicists can end up helping themselves. Learning Objectives: Understand the need for radiotherapy in LMICs. Understand which agencies are seeking Medical Physicists for help in LMICs. Understand the potential research funding mechanisms are available to establish academic collaborations with LMIC researchers/physicians. Understand the potential social and emotional benefits for both the physicist and the LMIC partners when collaborations are made. Understand the potential for collaboration with other high-income scientists that can develop as the physicist partners with other large institutions to assist LMICs. Wil Ngwa - A recent United Nations Study reports that in developing countries more people have access to cell phones than toilets. In Africa, only 63% of the population has access to piped water, yet, 93% of Africans have cell phone service. Today, these cell phones, Skype, WhatsApp and other information and communication technologies (ICTs) connect us in unprecedented ways and are increasingly recognized as powerful, indispensable to global health. Thanks to ICTs, there are growing opportunities for Medical Physicists to reach out beyond the bunker and impact the world far beyond, without even having to travel. These growing opportunities in global health for Medical Physicists, powered by ICTs, will be highlighted in this presentation, illustrated by high impact examples/models across the globe that are improving patient safety and healthcare outcomes, saving lives. Learning Objectives: Published definitions of global health and the emerging field of global radiation oncology Learn about the transformative potential of ICTs in global radiation oncology care, research and education with focus on Medical Physics Learn about high impact examples of ICT-powered global radiation oncology and the increasing opportunities for participation by Medical Physicists. Yakov Pipman - The number and scope of volunteer Medical Physics activities in support of low-to-middle income countries has been increasing gradually. This happens through a variety of formal channels and to some extent through less formal but personal initiatives. A good deal of effort is dedicated by many, but many more could be recruited through a structured framework to volunteer. We will look into typical volunteer activities and how they fit with organizations already involved in advancing Medical Physics in LMIC. We will identify the range of these organizational activities and their scope to reveal areas of further need. We will point to a few key features of MPWB ( http://www.mpwb.org ) as a volunteering and collaborating structure and how members can get involved and contribute to these efforts at the grass roots level. The goal is that scarce resources can thus be channeled to complement rather than compete with those already in place. Learning Objectives: Understand the strengths and limitations of various organizations that support Medical Physics efforts in LMIC. Learn about ways to volunteer and contribute to Global Health through a grass roots organization focused on Medical Physics in LMIC. Perry Sprawls - With the growing capability and complexity of medical imaging methods in all countries of the world, the expanding role of medical physicists includes optimizing imaging procedures with respect to image quality, radiation dose, and other conflicting factors. With access to appropriate educational resources local medical physicists in all countries can provide direct clinical support and educational for other medical professionals. This is being supported through the process of Collaborative Teaching that combines the capabilities and experience of medical physicists in countries spanning the spectrum of economic, technological, and clinical development. The supporting resources are on the web at: http://www.sprawls.org/resources . Learning Objectives: Identify the medical physics educational needs to support effective and optimized medical imaging procedures. Use collaborative teaching resources to enhance the role of medical physicists in all countries of the world.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

In-Situ Ion Irradiation to Add Irradiation Assisted Grain Growth to the Marmot Tool

In the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program, the MARMOT mesoscale fuel performance tool is used to inform the development of mechanistic materials models for the BISON fuel performance tool. The grain size of the fuel has a large impact on its performance, directly impacting heat conduction, fission gas release, creep, and fracture. Thus, atomistic and mesoscale MARMOT simulations have been used to investigate grain boundary migration and grain growth in UO 2 . However, the current grain growth models in MARMOT does not consider the effect of irradiation on causing grain growth. This research project experimentally studied and implemented irradiation effects on grain growth of UO 2 into MARMOT.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

National Opacity Program - Tri-Lab Assessment of Measurements and Models (Milestone 7720)

Opacity-on-NIF has obtained opacity data under conditions similar to those achieved by the entirely different Opacity-on-Z platform. From low- and high-Z elements at different anchor points, rigorously compare the opacity data between the laboratories and to multiple opacity theory models. Compare and assess the data acquisition and processing methods for obtaining opacities and for measuring/inferring sample conditions. Explain, or develop hypotheses for, any discrepancies. Map progress to the National Opacity Strategy and define future directions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

BISON Fuel Fragmentation Relocation and Dispersal (FFRD) Assessment Database for Eventual Use in Bayesian Calibration

Existing light-water reactor (LWR) fuel vendors have been interested in seeking increased discharge burnups of nuclear fuel rods for improved economics for quite a few years. With increased burnups come additional challenges that must be addressed. It has been experimentally observed that average burnups higher than the current regulatory limit of 62 MWd/kgU may undergo fuel fragmentation, relocation, and dispersal (FFRD) during a loss-of-coolant accident (LOCA). Industry must demonstrate approaches to mitigate FFRD. In an effort to support industry, the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program within the U.S. Department of Energy (DOE) has for several years invested in developing multiscale models and creating a validation/assessment database for these models to study the mechanisms driving FFRD. This report provides an update on changes made to the assessment database and new models added to BISON to support the study of fuel rod behavior during FFRD. An effort has been initiated this year to begin adding dedicated inputs to the publicly available Virtual Test Bed (VTB) repository for industry use. A section of this report details the efforts made in this area. NEAMS has recently developed new capabilities in the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework’s stochastic tools module for calibration using Bayesian inference. The goal in the future is to use these capabilities to calibrate and identify weaknesses in the existing BISON models for FFRD. The report concludes with a discussion on the models most likely to benefit the most from such calibration.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Milestone 7720: National Opacity Program - Tri-Lab Assessment of Measurements and Models

Opacity-on-NIF has obtained opacity data under conditions similar to those achieved by the entirely different Opacity-on-Z platform. From low- and high-Z elements at different anchor points, rigorously compare the opacity data between the laboratories and to multiple opacity theory models. Compare and assess the data acquisition and processing methods for obtaining opacities and for measuring/inferring sample conditions. Explain, or develop hypotheses for, any discrepancies. Map progress to the National Opacity Strategy and define future directions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗