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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Understanding Transients: Needs from the Laboratory Astrophysics Community

A growing number of astrophysical transients are pushing astronomers to develop increasingly complex computational tools to model both radiation hydrodynamics and electron transport. Here we review the physics needs and simulation uncertainties associated with modeling these transients. Although this review will focus on theory and simulation aspects of this problem, we also review some experiments designed to study this physics.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

High Energy Physics Network Requirements Review (Final Report, July-October 2020)

Throughout 2020, ESnet and the Office of High Energy Physics (HEP) of the DOE SC organized an ESnet requirements review of HEP-supported activities. Preparation for this event included identification of key stakeholders: program and facility management, research groups, technology providers, and a number of external observers. These individuals were asked to prepare formal case study documents about their relationship to the HEP program to build a complete understanding of the current, near-term, and long-term status, expectations, and processes that will support the science going forward. A series of pre-planning meetings better prepared case study authors for this task, along with guidance on how the review would proceed in a virtual fashion.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Platform for Single-Cell Dual RNA Sequencing of Host-Pathogen Interactions

The aim of this project was to advance single-cell RNA-Seq methods toward the establishment of a platform that may be used to simultaneously interrogate the gene expression profiles of mammalian host cells and bacterial pathogens. Existing genetic sequencing methods that measure bulk groups of cells do not account for the heterogeneity of cell-microbe interactions that occur within a complex environment, have limited efficiency, and cannot simultaneously interrogate bacterial sequences. In order to overcome these challenges, separate biochemistry workflows were developed based on a No-So-Random hexamer priming strategy or libraries of targeted molecular probes. Computational tools were developed to facilitate these methods, and feasibility was demonstrated for single-cell RNA-Seq for both bacterial and mammalian transcriptomes. This work supports cross-agency national priorities on addressing the threat of biological pathogens and understanding the role of the microbiome in modulating immunity and susceptibility to infection.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Identification of efficient and stable solid-solid electrochemical interfaces for Li-S batteries. Final Report

The objective of this work is to develop a better understanding of the interactions between battery components that drive the observed battery performance. Using computational tools at the atomistic level, we elucidate molecular, crystal, and amorphous structures, interfacial structures and reactions, and electrochemical behavior. We focus on Li metal anodes, liquid electrolytes, solid electrolytes, S cathodes, and metal-oxide cathodes, and their corresponding interfaces. Within liquid electrolytes, we study their bulk structure and dynamics, as a function of salt concentration. The analysis allows to understand the formation of localized high concentrated regions as the solvent is substituted by a weakly interacting diluent species. Analysis of the electron distribution yields the reactive behavior at interfaces. Moreover, we employ tools that allow the characterization of ion and electron transport at interfaces, during the processes of solvation and desolvation occurring while cycling. For Sulfur cathodes we elucidate synthesis processes and the role of carbon-sulfur and nitrogen-sulfur interactions not only to provide electronic conductivity but also to define alternative reaction pathways during discharge of Li-S batteries. Full-cell simulations offer new insights regarding the integration of all the battery components. Our studies also include solid electrolytes and their interfaces with Li metal, S-C, and metal-oxide electrodes.

25 ENERGY STORAGE↗
DOE OSTI2021

Biological Carbon Sequestration for Climate and Soil Health

The United States recently launched the Net Zero World Initiative on decarbonization. As temperatures and sea levels rise, strong action is needed to mitigate high atmospheric CO 2 levels. In response to this need, a joint workshop between the US Department of Energy’s Oak Ridge National Laboratory (ORNL) and Lawrence Berkeley National Laboratory (LBNL) was convened to assess the challenges and opportunities within biological carbon (C) capture. The virtual workshop on Biological Carbon Sequestration for Climate and Soil Health focused on three aspects of biological C capture research: natural systems, engineered systems, and modeling. For this workshop, the scope of natural systems included unmanaged (e.g., grasslands, wetlands, natural forests) and managed (e.g., agricultural lands, commercial forests, forest biofuels) ecosystems. The engineered systems group covered topics in genetically modified plants and microbes, synthetic microbiomes, and altered plant–microbe interactions for enhancing C capture, storage, and utilization. The modeling group focused on computational tools and data collection to predict and assess the effectiveness of new biocarbon sequestration advances. Participant expertise included plant and microbial systems biology, synthetic biology, soil biogeochemistry, and techno-economic analysis. Together, participants outlined key scientific advances in support of biological C capture and storage. Among the major findings of the meeting were the need to better measure C flux within natural, agricultural, and fabricated ecosystems for experimentation; better understand the role of soil composition, plant roots, and the rhizosphere (i.e., the soil surrounding the plant root) in the underground storage of organic C; and design plant–microbe systems for maximal C storage.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Jan-Dec 2021 IC Project: w20_earthquake (Yearly Report) [Slides]

Large-scale simulations were conducted using the computational tool HOSS to investigate scientific aspects of the time reversal process. The main focus was the identification of damage/defects in wellbores for relevant subsurface applications.

58 GEOSCIENCES↗
DOE OSTI2022

Specimen Size Artifacts Associated with a Glovebox Deployable Laser Flash Diffusivity Measurement System

To accelerate nuclear fuel qualification and deployment efforts, Oak Ridge National Laboratory has led the world in developing vehicles for accelerating burnup accumulation in nuclear fuel by testing miniature samples in the High Flux Isotope Reactor. However, a challenge remains to establish parity between post irradiation characterization methods for miniature fuel specimens in comparison to conventional fuel elements. This work aims to identify artifacts associated with the thermal analysis of miniature disk specimens in comparison to samples of standardized dimensions through a combination of experimental and computational tools. Using a newly procured Netzsch 427 laser flash diffusivity system, preliminary data on mild steel specimens were collected, and finite element techniques were used to model heat transfer using 1D conditions to assess issues associated with pulse width and data collection frequency effects. These preliminary investigations found that significant variability in measured thermal diffusivity exist within datasets. These variations are not necessarily attributed to limitations with respect to data collection rate; nor are they associated with limitations on pulse width. Instead, these artifacts may be a result of limitations in detector intensity. Future work aims to design a focusing lens to better measure the smaller surface area of miniature specimens analyzed using the laser flash analysis system.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Multiparametric optical label-free imaging to analyze plant cell wall assembly and metabolism. (Final Report)

Plant tissues are often considered not ideal for fluorescence imaging because of the pervasive intrinsic fluorescence of many plant metabolites and the intricate interactions with light of the many semi-crystalline polymers at the cell wall. Our project aims to take advantage of this observed shortcoming by developing a label-free, optical microscopy platform for characterizing multiple fingerprints of important cell wall components and stress-related, at subcellular scale resolution. The new imaging system can collect fingerprints from both emitted and scattered light that can inform on the chemical nature, subcellular distribution, anisotropy, and molecular environment of multiple cell wall components in intact plant tissues. We are combining these imaging capabilities with computational tools that enable correlated registration, integration, and analysis. This fully integrated, multiparametric optical system will be used to address biological problems connected to cell wall assembly in grasses. This includes a focus on developmental and environmental variation of cell wall impregnation with silica, lignin, suberin, and cutin in different tissues and cell types. Our research plan comprises three main goals: (1) To develop an accessible imaging platform and associated open-source software able to extract and integrate fingerprints from fluorescence-associated (multispectral emission, lifetime, and polarization), wide-field polarimetry, second harmonic generation (SHG), and stimulated Raman scattering signals (SRS); (2) To determine unique combination of fingerprints for various cell wall components and selected metabolites; (3) To analyze the process of cell wall silicification in grasses and determine how silicification affects cell wall properties and lignin, cutin, and suberin deposition in other cell types under differ stress conditions.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Assessment of Modeling and Simulation Technical Gaps in Safety Analysis of High Burnup Accident-Tolerant Fuels

The United States nuclear industry is facing a strong challenge to maintain regulatory-required levels of safety while ensuring economic competitiveness to stay in business. Safety remains a key parameter for all aspects related to the operation of light water reactor (LWR) nuclear power plants (NPPs), and it can be achieved more economically by using a risk-informed ecosystem, such as that being developed by the Risk-Informed Systems Analysis (RISA) Pathway under the U.S. Department of Energy (DOE) Light Water Reactor Sustainability (LWRS) Program. The LWRS Program is promoting a wide range of research and development activities to maximize both the safety and economically efficient performance of NPPs through improved scientific understanding, especially given that many plants are considering second license renewal. The RISA Pathway has two main goals: The deployment of methodologies and technologies that enable better representation of safety margins and the factors that contribute to cost and safety, and; The development of advanced applications that enable cost-effective plant operation. As part of the RISA Pathway, the Enhanced Resilient Plant (ERP) project refers to an NPP where safety is improved by implementing various measures, such as accident-tolerant fuels (ATF), diverse and flexible coping strategy (FLEX), enhancements to plant components and systems, incorporation of augmented or new passive cooling systems, and utilization of advanced battery technologies. The objective of the ERP research is to use novel methods and computational tools to enhance existing reactors’ safety while reducing operational costs. Many U.S. utilities are targeting implementation of ATFs instead of traditional fuel in the near future since ATFs offer benefits in terms of improved performance and cost savings. The robust properties of ATF make it possible to extend the refueling cycle from 18 to 24 months in addition to the opportunity to use less of fuel. Extensive safety assessments are required to support regulatory requirements and obtain the approvals to use ATFs and the ERP project support the industry by developing novel effective methodologies for safety evaluations. In this project, the technical gaps in the modeling and simulation of the high burnup (HBU) ATF were assessed in terms of the fuel cladding behavior during the postulated accident events. The issues were identified in modeling the cladding deformation, the hydrodynamic change due to cladding deformation and the critical heat flux (CHF). The RELAP5-3D cladding deformation model was assessed by multiple verification tests and validation with the instrumented fuel assembly (IFA) experiment.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Identifying Performance Advantaged Biobased Chemicals Utilizing Bioprivileged Molecules (Final Report)

Two technology areas were advanced; a) novel molecules with improved performance in the end use application of organic corrosion inhibitors and flame retardant nylon polymers and b) development of a systematic process for identifying biomass-derived molecules with improved performance in end use applications. In total 17 novel organic corrosion inhibitors were identified that had significantly better performance than the commercial reference organic corrosion inhibitor and 7 novel nylons were synthesized with improved flame retardant properties relative to standard nylon-6,6. While an end-to-end systematic process for identifying biomass-derived molecules with improved end use performance was not completed, important progress was made computational tools for mining chemical structures from the literature and databases as well as establishing reaction network generation algorithms to aid in the discovery of novel molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Safety Analysis of FeCrAl Accident-Tolerant Fuels with Increased Enrichment and Extended Burnup

The U.S. nuclear industry is facing a strong challenge to maintain regulatory-required levels of safety while ensuring economic competitiveness to stay in business. Safety remains a key parameter for all aspects related to the operation of light water reactor nuclear power plants (NPPs), and it can be achieved more economically by using a risk-informed ecosystem, such as that being developed by the Risk-Informed Systems Analysis Pathway under the U.S. Department of Energy Light Water Reactor Sustainability Program. This program is promoting a wide range of research and development activities to maximize both the safety and economically efficient performance of NPPs through improved scientific understanding, especially given that many plants are considering a second license renewal. The Risk-Informed Systems Analysis Pathway has two main goals: (1) The deployment of methodologies and technologies that enable a better representation of the safety margins and factors that contribute to cost and safety, and (2) The development of advanced applications that enable cost-effective plant operation. As part of this pathway, the Enhanced Resilient Plant project refers to an NPP where safety is improved by implementing various measures, such as accident-tolerant fuels, diverse and flexible coping strategies, enhancements to plant components and systems, incorporation of augmented or new passive cooling systems, and utilization of advanced battery technologies. The objective of the Enhanced Resilient Plant project is to use novel methods and computational tools to enhance existing reactors’ safety while reducing operational costs. This report documents research and development conducted in support of deployment of accident-tolerant fuels. This project performed safety analyses for the steady-state normal operation, anticipated operational occurrences, and design-basis accidents of a representative four-loop pressurized water reactor model with Zr and FeCrAl accident-tolerant fuel clad with higher enrichment and burnup supporting plant refueling cycles of 18 and 24 months. The source terms and environmental impacts were studied for a large-break loss of coolant accident, including uncertainty analyses.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Biological Electron Transfer and Catalysis EFRC

The focus of the Biological Electron Transfer and Catalysis (BETCy) EFRC research is elucidating mechanisms of conversion of electrochemical potential into chemical bond energy and is organized into two integrated Thrusts: Electron Bifurcation Catalysis and Electron Transfer Kinetics. We are developing a collective knowledge of metalloenzymes as models for redox reactions by applying physical science and computational tools to characterize biochemical reactions catalyzed by multi- subunit enzymes harboring arrays of iron-sulfur clusters and flavin cofactors. Understanding these mechanisms is central to overcoming the thermodynamic barriers that currently limit production of reduced products and fuels. Biological systems have elegant strategies for converting electrochemical potential energy into chemical bond energy (e.g., C-H, H-H, and N-H) stored in reduced compounds that can serve as advanced biofuels. One significant limitation for the production of highly reduced compounds is that their production in natural and industrial processes relies on low oxidation-reduction potential chemicals as feedstocks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Generalized wakefield of a microbunched electron cooler

In a previous note [1] we developed theoretical and computational tools for the study of microbunched electron cooling (MBEC [2]) in the three-dimensional regime. In this context, we were able to treat the key space charge effect in a rigorous fashion by taking explicitly into account the point-charge nature of the particles involved (electrons and hadrons). In this report, we build upon our earlier analysis by taking into consideration previously neglected effects that can cause Landau damping in the amplifier section (such as focusing, betatron oscillations and the angular spread of the electron beam). Beginning with the theoretical aspect of this work, we use our modified and expanded tools in order to calculate and study the generalized, point-hadron wakefield of the system, an important quantity that affects the cooling performance.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Transformational Sorbent Materials for a Substantial Reduction in the Energy Requirement for Direct Air Capture of CO 2

InnoSepra’s project, “Transformational Sorbent Materials for a Substantial Reduction in the Energy Requirement for Direct Air Capture of CO 2 ,” utilized computational tools, materials characterization, and lab scale testing to optimize previously identified materials to determine their performance under direct air capture conditions. InnoSepra utilized the test results to determine the energy required for regeneration and to develop a high-level process design/analysis to demonstrate the application of developed materials for direct air capture which could be utilized for future techno-economic and life-cycle analyses to fully assess the potential of the materials for direct air capture. InnoSepra also updated the State Point Data Table and completed the environmental, health, and safety (EH&S) Risk Assessment.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2024

Identifying Performance Advantaged Biobased Chemicals Utilizing Bioprivileged Molecules

Two technology areas were advanced; a) novel molecules with improved performance in the end use application of organic corrosion inhibitors and flame retardant nylon polymers and b) development of a systematic process for identifying biomass-derived molecules with improved performance in end use applications. In total 17 novel organic corrosion inhibitors were identified that had significantly better performance than the commercial reference organic corrosion inhibitor and 7 novel nylons were synthesized with improved flame retardant properties relative to standard nylon-6,6. While an end-to-end systematic process for identifying biomass-derived molecules with improved end use performance was not completed, important progress was made computational tools for mining chemical structures from the literature and databases as well as establishing reaction network generation algorithms to aid in the discovery of novel molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Ion Channel Laser Based on Direct Laser Acceleration of a Shaped Beam Driver (Final Technical Report)

The main focus of our research was to understand the synergies between an electron bunch and a laser pulse when the two co-propagate through the plasma. We have clearly demonstrated using theoretical and computational modeling that the propagation distance of both the bunch and the laser pulse could be extended. The ability of the combined bunch/pulse system to extend the propagation distance and the size of the plasma bubble enables highly-efficient sources of relativistic electrons. As pointed out by the Plasma Decadal Study, such electron sources can be used for generating extremely bright x-rays for a variety of applications can serve as probes and diagnostics for other plasma experiments: high energy density (HED) sciences, inertial confinement fusion (ICF), and potentially Fusion Materials and Technology (FM&T). Development of advanced diagnostics of plasma-based accelerators is yet another key area identified by recent reports. Even broader security and medical applications of compact accelerator-based radiation sources, such as very high energy electron (VHEE) sources for FLASH radiobiology, have been identified by a recent multi-agency panel. A number of key technical issues were considered and successfully resolved during the course of the grant. Those include: beam loading effect of both the driver and witness bunches on the wake, laser channeling by the bunch, and the direct laser acceleration (DLA) of the driver bunch by the laser pulse. To demonstrate clear synergy, we were able to ascertain that the total energy gain of a witness bunch in the wake of the combined bunch/laser complex is large than the sum of the energy gains in the wake of the laser pulse alone, and the driver bunch alone. We have also demonstrated that not only the energy gain is improved, but the energy spread is not sacrificed. To carry out these simulations, we have to develop a range of in-house computational tools, including a fully-3D code WAND-PIC.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Milestone Report for MS8: Extend Quantitative Brine and CO 2 Leakage Calculations

This report summarizes results of the risk analysis and characterization of CO 2 and brine leakage potential of Farnsworth Unit (FWU) wells. U.S. DOE’s National Risk Assessment Partnership (NRAP) program works on quantitatively assess long-term environmental risks amidst significant geologic uncertainty and variability. NRAP risk assessment and computational tools are developed to quantify uncertainties and calculate risk associated with geologic sequestration of carbon dioxide (CO 2 ). For this study, we have developed a workflow from University of Utah’s physics-based reservoir simulators to performing leakage calculations using NRAP Tools. NRAP tools (NRAP-IAM-CS, RROM-Gen) are used to conduct leakage risk analysis based on Eclipse simulation results, and characterize wellbore leakage at the Farnworth Site. This report summarizes results of the risk analysis and characterization of CO 2 and brine leakage potential of Farnsworth Unit (FWU) wells.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Nuclear Data: What is the big deal? [Slides]

This presentation begins with a look at the practical application: differential and integral data. It also includes a nuclear data evaluation: cross section formalisms, data processing and cross section library generation, computer tools, and criticality safety assessment: nuclear data. The presentation ends with some concluding remarks.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗