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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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Demonstration of RELAP5-3D for transient analysis of a dual coolant lead lithium fusion blanket concept

Our research aims to build a multiphysics framework for transient analysis of the Dual- Coolant Lead-Lithium (DCLL) blanket design of the proposed Fusion Nuclear Science Facility (FNSF) for all Onticipated Operational Occurrences (AOOs) using Reduced Order Models (ROMs). This paper presents an assessment of using RELAP5-3D for transient thermal-hydraulic blanket analysis of the DCLL design. Preliminary validation studies for the RELAP5-3D properties were conducted using a representative vertical flow loop model and a comparison study using experimental data from the thermal convection corrosion loops at ORNL. These studies inspected the thermal hydraulic response of Lead-Lithium Eutectic (PbLi) systems within the RELAP5-3D code; mainly pressure drop and heat transfer, as compared to analytical calculations and experimental data. The Magnetohydrodynamic (MHD) pressure drop effect for liquid metal under the effects of a uniform magnetic field was implemented into our models using an equivalent forms loss coefficient based on the phasic momentum equations. We verified our implementation of MHD pressure drop within RELAP5-3D using a systematic approach consisting of two studies. Models were developed to perform comparison studies based on experimental data from the Argonne Liquid metal EXperiment (ALEX) facility and the Magnetohydrodynamic PbLi Experiment (MaPLE) facility. Using the developed validation basis, we built a simplified DCLL channel model within RELAP5-3D, inspected MHD pressure drop and performed transient temperature analysis. The DCLL channel model used radial heating data from the International Thermonuclear Experimental Reactor (ITER) which was normalized to the FNSF design. Here, a representative startup transient was performed using a relative power curve from the initial ramp up of a long-term power pulse of the Tore Supra reactor. This study demonstrated that RELAP5-3D ROMs are capable of accurate transient analysis of the DCLL blanket. We have since utilized MCNP to develop heating profiles based on the FNSF design and are working toward implementing them into our DCLL model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Ring Model Development and Validation for Prismatic HTGR Core Thermal-hydraulics and Safety Analysis

Because of the complex core geometry, prismatic high temperature gas-cooled reactors (prismatic HTGRs) often exhibit complex thermal fluid behaviors during both normal operating and transient conditions. Most HTGR designs rely on passive safety system for decay heat removal, such as the reactor cavity cooling system (RCCS). During postulated accidents like Pressurized Conduction Cooldown (PCC) event, the decay heat is first radially transferred from the core region to the reactor vessel outer surface, then to the RCCS cooling panels. The peak fuel temperature is controlled by heat transfer mechanisms with two distinctive characteristic length scales, i.e., the core-wise effective heat conduction and local heat conduction in the fuel pellet scale. As both length scales are essential to determine the fuel temperature, from the modeling perspective, computer codes must be able to capture heat transfer in both scales. This is challenging for both computational fluid dynamics (CFD) tools because of extremely large amount of computation resources required, and for system analysis codes because of the challenge to model the complex core geometry. Under the support of DOE-NE’s Nuclear Energy Advanced Modeling and Simulation (NEAMS) program, efforts have been pursued to support HTGR technology development and its modeling and simulation needs. There is a particular need for advanced modeling and simulation tools to predict thermal-fluid behavior during safety-related transients. In our previous studies, the ring model was adopted in SAM and further developed to simulate the normal operating condition and a PCC event using the MHTGR-350 design of General Atomics as the reference design. This current work represents a continuation of these previous efforts, and the focus is to critically review and examine simplifications and assumptions made to develop the ring model, and to perform code validation using experimental data from an integral-effect test facility, the High Temperature Test Facility (HTTF) at the Oregon State University. In this study, the test PG-27 from the HTTF test suite was selected for code validation purpose. The test PG-27 is a transient test designed to simulate the PCC event of the MHTGR design. Very good agreements between SAM prediction and experimental measurements were found in both coolant and solid structure temperatures during the transient.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2026

A Monte Carlo Laplace Transform Estimator for Radiation Transport

This work formulates and implements a Laplace transform estimator in a simple Monte Carlo radiation transport code. The estimator maps flux-based quantities of interest, like reaction rates, from a desired phase-space dimension to the complex Laplace domain. This on-the-fly Monte Carlo integration technique enables the spectral analysis of arbitrary nuclear systems via the Laplace transform. A simple code tests the estimator in neutron slowing-down problems across various infinite media, and the results compare well with Ganapol’s uninverted analytical solution of the neutron slowing-down equation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Simulation of Gas Production from Multilayered Hydrate-Bearing Media with Fully Coupled Flow, Thermal, Chemical and Geomechanical Processes Using TOUGH + Millstone. Part 1: Numerical Modeling of Hydrates

TOUGH + Millstone has been developed for the analysis of coupled flow, thermal and geomechanical processes associated with the formation and/or dissociation of CH4-hydrates in geological media. It is composed of two constituent codes: (a) a significantly enhanced version of the TOUGH + HYDRATE simulator, V2.0, that accounts for all known flow, physical, thermodynamic and chemical processes associated with the behavior of hydrate-bearing systems undergoing changes and includes the most recent advances in the description of the system properties, coupled seamlessly with (b) Millstone V1.0, a new code that addresses the conceptual, computational and mathematical shortcomings of earlier codes used to describe the geomechanical response of these systems. The capabilities of TOUGH + Millstone are demonstrated in the simulation and analysis of the system flow, thermal and geomechanical behavior during gas production from a realistic complex offshore hydrate deposit. In the first paper of this series, we discuss the physics underlying the T + H hydrate simulator, the constitutive relationships describing the physical, chemical (equilibrium and kinetic) and thermal processes, the states of the CH 4 + H 2 O system and the sources of critically important data, as well as the mathematical approaches used for the development of the of mass and energy balance equations and their solution. Finally, we provide verification examples of the hydrate code against numerical results from the simulation of laboratory and field experiments.

58 GEOSCIENCES↗
DOE OSTI2018

Electronic Excitations in Complex Molecular Environments: Many-Body Green’s Functions Theory in VOTCA-XTP

Many-body Green’s functions theory within the GW approximation and the Bethe-Salpeter Equation (BSE) is implemented in the open-source VOTCA-XTP software, aiming at the calculation of electronically excited states in complex molecular environments. Based on Gaussian-type atomic orbitals and making use of resolution of identity techniques, the code is designed specifically for nonperiodic systems. Application to a small molecule reference set successfully validates the methodology and its implementation for a variety of excitation types covering an energy range from 2 to 8 eV in single molecules. Further, embedding each GW-BSE calculation into an atomistically resolved surrounding, typically obtained from Molecular Dynamics, accounts for effects originating from local fields and polarization. Using aqueous DNA as a prototypical system, different levels of electrostatic coupling between the regions in this GW-BSE/MM setup are demonstrated. Particular attention is paid to charge-transfer (CT) excitations in adenine base pairs. It is found that their energy is extremely sensitive to the specific environment and to polarization effects. The calculated redshift of the CT excitation energy compared to a nucelobase dimer treated in vacuum is of the order of 1 eV, which matches expectations from experimental data. Predicted lowest CT energies are below that of a single nucleobase excitation, indicating the possibility of an initial (fast) decay of such an UV excited state into a binucleobase CT exciton. Furthermore, the results show that VOTCA-XTP’s GW-BSE/MM is a powerful tool to study a wide range of types of electronic excitations in complex molecular environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Validation of prediction capability of operating space for plasma initiation in MAST-U

DYON is a plasma initiation modelling code that solves the differential equation system of the full circuit equations (plasma current, active coil currents and eddy currents in full passive structures) and 0D global energy and particle balance equations (Kim 2022 Nucl. Fusion 62 126012). In order to test the capability of the full electromagnetic plasma initiation model to predict individual discharges in experiments and thus the operating space in the device, a dedicated experimental database was built in MAST-U by scanning the prefilled gas pressure p 0 and the induced loop voltage V loop . In the experimental operating space of p 0 and V loop the lower and the upper limits of p 0 are determined by the plasma breakdown failure and the plasma burn-through failure, respectively. The lower limit of V loop is determined by the plasma burn-through failure. By directly reading the control room data used in each discharge (i.e. currents in the solenoid, poloidal field coils, and toroidal field coils, p 0 , and gas puffing rate), the full electromagnetic DYON consistently predicted the failed breakdown, failed burn-through, and successful plasma initiation discharges in the experimental database, demonstrating its capability to predict the operating space for inductive plasma initiation. The Paschen curve calculated with the effective connection length in MAST-U indicates a much higher p 0 required for plasma breakdown than the experimental data, indicating that individual field line evaluation is necessary to calculate the quantitative requirements for Townsend breakdown. The demonstration in this paper shows that the full electromagnetic DYON could be a useful simulation tool to assess the feasibility of inductive plasma initiation and to optimise operating scenarios in future devices.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

MultiPhATE2: code for functional annotation and comparison of phage genomes

To address a need for improved tools for annotation and comparative genomics of bacteriophage genomes, we developed multiPhATE2. As an extension of multiPhATE, a functional annotation code released previously, multiPhATE2 performs gene finding using multiple algorithms, compares the results of the algorithms, performs functional annotation of coding sequences, and incorporates additional search algorithms and databases to extend the search space of the original code. MultiPhATE2 performs gene matching among sets of closely related bacteriophage genomes, and uses multiprocessing to speed computations. MultiPhATE2 can be re-started at multiple points within the workflow to allow the user to examine intermediate results and adjust the subsequent computations accordingly. In addition, multiPhATE2 accommodates custom gene calls and sequence databases, again adding flexibility. MultiPhATE2 was implemented in Python 3.7 and runs as a command-line code under Linux or MAC operating systems. Full documentation is provided as a README file and a Wiki website.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Bulk viscosity and cavitation in heavy ion collisions

Relativistic heavy ion collisions generate nuclear-sized droplets of quark-gluon plasma (QGP) that exhibit nearly inviscid hydrodynamic expansion. Smaller collision systems such as p + Au, d + Au, and 3 He + Au at the Relativistic Heavy Ion Collider, as well as p + Pb and high-multiplicity p + p at the Large Hadron Collider may create even smaller droplets of QGP. If so, the standard time evolution paradigm of heavy ion collisions may be extended to these smaller systems. These small systems present a unique opportunity to examine pre-hydrodynamic physics and extract properties of the QGP, such as the bulk viscosity, where the short lifetimes of the small droplets makes them more sensitive to these contributions. Here we focus on the influence of bulk viscosity, its temperature dependence, and cavitation effects on the dynamics in small and large systems using the publicly available hydrodynamic codes SONIC and MUSIC. In conclusion, we also compare pre-hydrodynamic physics in different frameworks including AdS/CFT strong coupling, IP-GLASMA weak coupling, and free streaming or no coupling.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Field Validated Utility-Scale Battery Storage Control Models for Quasi-Static Analyses

This paper presents a co-simulation based approach to implement and validate advanced battery storage control modes in OpenDSS that replicate behavior of a utility scale vanadium red-ox flow battery (VRFB). Inverter-interfaced utiliy-scale battery storage systems (BSS) have modes of operation to facilitate multiple grid-support functions. In order to enable accurate understanding of the impacts from grid-support functions modes of operation it is required to develop validated models that replicates behavior of the actual control system. This paper presents the pseudo code for the implemented control schemes including peak shaving and capacity firming control modes. Additionally, this paper also provides insight on convergence sensitivity of the presented algorithms to related parameters. The results obtained from simulation studies will be compared against field operated utility-scale BSS measurements to verify the implemented algorithms.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

HTS Accelerator Magnets Conceptual Design for Future Lepton Colliders

There is an interest in designing superconducting magnet systems for future lepton circular colliders. This application requires many low-field iron-dominated dipole and quadrupole magnets. Conventional room-temperature magnets are often used because of their low field, low total current, and low power losses. However, high electricity bills for large accelerators drive magnet design to superconductivity. High-temperature superconducting (HTS) magnets can substantially reduce energy losses in magnet systems. The present study investigated the conceptual design of HTS dipole and quadrupole magnets operating in persistent current mode. Energy is transferred into the magnet from an external detachable power source. A continuously circulating current generates a stable magnetic field. The iron-dominated magnet system concept was investigated using OPERA3D code, and the results confirmed the proposed approach’s validity.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Lulabcodes/Coarse-grained_Sc_Model

This repository contains the source code for the coarse-grained, systemic, and dynamic model of Saccharomyces cerevisiae. Related publishments: Emergence of Orchestrated and Dynamic Metabolism of Saccharomyces cerevisiae. Coarse-Grained Modeling Elucidates Differential Metabolism of Saccharomyces cerevisiae under Varied Nutrient Limitations.

Lai, Yi-Hui (Cindy)↗
DOE OSTI2019

Differential gene content and gene expression for bacterial evolution and speciation of Shewanella in terms of biosynthesis of heme and heme-requiring proteins

Background: Most species of Shewanella harbor two ferrochelatase paralogues for the biosynthesis of c-type cytochromes, which are crucial for their respiratory versatility. In our previous study of the Shewanella loihica PV-4 strain, we found that the disruption of hemH1 but not hemH2 resulted in a significant accumulation of extracellular protoporphyrin IX (PPIX), but it is different in Shewanella oneidensis MR-1. Hence, the function and transcriptional regulation of two ferrochelatase genes, hemH1 and hemH2, are investigated in S. oneidensis MR-1. Result: In the present study, deletion of either hemH1 or hemH2 in S. oneidensis MR-1 did not lead to overproduction of extracellular protoporphyrin IX (PPIX) as previously described in the hemH1 mutants of S. loihica PV-4. Moreover, supplement of exogenous hemins made it possible to generate the hemH1 and hemH2 double mutant in MR-1, but not in PV-4. Under aerobic condition, exogenous hemins were required for the growth of MR-1ΔhemH1ΔhemH2, which also overproduced extracellular PPIX. These results suggest that heme is essential for aerobic growth of Shewanella species and MR-1 could also uptake hemin for biosynthesis of essential cytochrome(s) and respiration. Besides, the exogenous hemin mediated CymA cytochrome maturation and the cellular KatB catalase activity. Both hemH paralogues were transcribed in wild-type MR-1, and the hemH2 transcription was remarkably up-regulated in MR-1ΔhemH1 mutant to compensate for the loss of hemH1. The periplasmic glutathione peroxidase gene pgpD, located in the same operon with hemH2, and a large gene cluster coding for iron, heme (hemin) uptake systems are absent in the PV-4 genome. Conclusion: Our results indicate that the genetic divergence in gene content and gene expression between these Shewanella species, accounting for the phenotypic difference described here, might be due to their speciation and adaptation to the specific habitats (iron-rich deep-sea vent versus iron-poor freshwater) in which they evolved and the generated mutants could potentially be utilized for commercial production of PPIX.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Swift/T Guide

Swift/T is a hierarchical, parallel programming system that allows you to rapidly develop many-task workflows that call into sequential code concurrently. It is implemented with a compiler and runtime system; the Swift/Turbine Compiler (STC) allows you to write Swift programs and run them using Turbine. At runtime, Swift/T programs are MPI programs capable of utilizing very large supercomputers.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Understanding streamlined solar permitting practices: A primer

A significant “soft cost” barrier to the growth of the residential solar PV market is the length of time and cross-jurisdictional inconsistency associated with the process by which PV system installations are built according to code, permitted by the local building department, and interconnected to the grid (see Burkhardt et al. 2015 for cost estimates).

14 SOLAR ENERGY↗
DOE OSTI2023

Domain Aware Deep-learning Algorithms Integrated with Scientific-computing Technologies (DADAIST)

This technical report summarized the contribution of the DADAIST project funded by the Data Model Convergence Initiative via the Laboratory Directed Research and Development (LDRD) investments at Pacific Northwest National Laboratory (PNNL). Specifically, we report the development of the NeuroMANCER (Neural Modules with Adaptive Nonlinear Constraints and Efficient Regularizations), a new open-source Scientific Machine Learning library for formulating and solving parametric constrained optimization problems, physics-informed system identification, and parametric optimal control problems. NeuroMANCER is using differentiable programming to combine modern data-driven models and optimization modeling language into a coherent algorithmic and software framework. NeuroMANCER is a Pytorch-based framework and adopts much of its philosophy focused on research and development, rapid prototyping, and streamlined deployment. Strong emphasis is given to extensibility, interoperability with the PyTorch ecosystem, and quick adaptability to custom domain problems. Neuromancer repository contains a comprehensive library of differentiable modules, including custom activation functions, matrix factorizations, deep learning architectures, neural differential equations, differential equation solvers, implicit layers such as iterative solvers, high-level API for symbolic expressions, API for modeling and control of dynamical systems, and extensive set of tutorial code examples in the form of python scripts and jupyter notebooks.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Power Electronics Manufacturing Improvements for Heavy-Duty Fuel Cell Vehicles

The Marel Power Solutions project, funded by the U.S. Department of Energy under Award DE-SC0023801, focused on advancing manufacturing techniques for power electronics in heavy-duty fuel cell vehicles. The research aimed to enhance system efficiency, reduce costs, and support broader adoption of hydrogen fuel cell technology. Key areas of investigation included power topology, thermal modeling, system architecture, and accessibility through software tools. Key Accomplishments: 1. Power Topology: - Developed an interleaved boost converter with optimized phase count, leveraging Marel’s proprietary Power Stacks. - Achieved reduced parasitic inductance and resistance, enabling high efficiency in DC-DC converters. 2. Thermal Modeling: - Integrated innovative cooling systems into compact Silicon Carbide (SiC) modules. - Simulations demonstrated the ability to dissipate significant heat (up to 7.5 kW), ensuring device reliability under heavy loads. 3. System Architecture: - Utilized simulation tools to analyze the impact of various fuel cell and vehicle parameters on efficiency. - Highlighted the role of smaller, modular improvements, such as enhanced DC-DC converters, in achieving system-wide gains. 4. Accessibility: - Evaluated and implemented MATLAB/Simulink code generation tools for real-world hardware applications. - Demonstrated the potential for rapid prototyping of custom power systems with reduced development costs. Impact and Benefits: - Efficiency and Cost Reduction: Marel’s cooling technology enhances SiC die performance, reducing the number of dies required and overall system size. - Scalability and Flexibility: The innovations support tailored solutions for diverse applications, from mass transit to mining vehicles. - Sustainability: The research promotes the integration of electrification technologies, helping meet rising energy demands sustainably. Conclusion: The project’s outcomes advance the state of power electronics for hydrogen fuel cell vehicles, enabling more efficient, compact, and cost-effective solutions. These developments lay a foundation for future innovation, contributing to the broader adoption of clean energy technologies in transportation and other industries.

08 HYDROGEN↗
DOE OSTI2025

EMPOWERED Distributed Energy Resources Permit Accelerator Pilot

This report summarizes the EMPOWERED Distributed Energy Resources (DER) Permit Accelerator Pilot project. Its primary objective was to streamline the design, installation, permitting, and inspections of targeted Distributed Energy Resource (DER) solutions. Streamlining these processes is critical to strengthening and accelerating the adoption of DER solutions nationwide. Moreover, streamlined processes help expedite the clean energy transition and expand energy resilience by improving understanding and capability among key stakeholders like property owners, code officials, and the general workforce. The project team accomplished this by developing and deploying a set of design and permitting guides for simple DER solutions, which they rolled out via a permitting pilot program. The project team developed nine permitting and inspection guides for simple DER solutions, as follows: 1. Single-Family and Duplex: Electric Vehicle Service Equipment (EVSE), and Storage, Solar + Storage (each in two code cycles) 2. Multi-family and Office: EVSE, Storage, Solar + Storage (each in two code cycles) 3. A permitting process guide to support the implementation of the permitting guides. The guides cover key code requirements via plan review and field inspection checklists for code officials and building owners to follow to streamline the permitting and inspections process for DER solutions. Following the development of the initial set of guides, the project team formed two cohorts, each made up of four jurisdictions, to participate in the Permit Accelerator Pilot. Each cohort received training and technical assistance to support them in incorporating the guides into use. The project successfully engaged jurisdictions in two disparate US regions: Chelsea, Somerville, Natick, and Norwood in metro Boston; and Pima County, Town of Gilbert, Flagstaff, and Sedona in Arizona. Feedback gathered from the project was valuable in refining the guides to better address jurisdictional needs. After the pilot period, the project team developed final versions of the guides based on extensive feedback from the cohorts and from external technical peer review. Feedback included needs and barriers related to implementation, as well as detailed technical improvements from external peer review. The final guides were presented in a series of webinars with a national reach, with 192 attendees from 35 states in the live session of the final webinar, and the final guides are posted online and available for use nationwide. Key findings: • The most receptive jurisdictions were those adjacent to other jurisdictions that had already adopted similar initiatives. The least receptive jurisdictions were those in the midst of adopting new code cycles. • The most common barrier to jurisdictional adoption of new guidelines were internal administrative and process delays, more so than technical barriers. • The main technical barrier to adoption proved to be the concern of fire hazard risks posed by energy storage systems. There is some apprehension in the code enforcement community about the safety of the batteries. Education coordinated with fire and safety services will help alleviate concerns and increase confidence in the acceptance of innovative technologies. • Opportunities to further leverage and advance the guides and related resources include outreach, education, and jurisdictional support; updates to the resources to align with code cycle changes and local requirements; and advancements supporting emerging technologies.

14 SOLAR ENERGY↗
DOE OSTI2025

Resistive Wall Simulations with LAMDA

The prospect for a new downstream transport (DST) beam line for multipulse target testing (MPTL) has raised questions about the resistive-wall instability, which has been theoretically shown to couple between the multiple pulses in a pulse train. Recent upgrades to computer operating systems and the LAMDA beam dynamics code mandate that the code be revalidated before using to explore MPTL parameters. This note is a brief account of the revalidation of LAMDA for resistive wall problems.

43 PARTICLE ACCELERATORS↗