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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 163 records · Page 9

PETSc/TAO Users Manual Revision 3.24

This manual describes the use of the Portable, Extensible Toolkit for Scientific Computation (PETSc) and the Toolkit for Advanced Optimization (TAO) for the numerical solution of partial differential equations (PDEs) and related problems on high-performance computers. PETSc/TAO is a suite of data structures and routines that provide the building blocks for implementing large-scale application codes on parallel (and serial) computers. PETSc uses the MPI standard for all distributed memory communication.

97 MATHEMATICS AND COMPUTING↗

PETSc/TAO Users Manual Revision 3.25

This manual describes the use of the Portable, Extensible Toolkit for Scientific Computation (PETSc) and the Toolkit for Advanced Optimization (TAO) for the numerical solution of partial differential equations (PDEs) and related problems on high-performance computers. PETSc/TAO is a suite of data structures and routines that provide the building blocks for implementing large-scale application codes on parallel (and serial) computers. PETSc uses the MPI standard for all distributed memory communication.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Sockeye Code Validation Against UNIST Heat Pipe - Poster - Internship 2025

Sockeye is an engineering level code being developed under the MOOSE framework for modeling heat pipes. A heat pipe is a sealed tube with a wick structure filled with a working fluid that transfers heat efficiently and passively via phase change of the working fluid. Heat applied to the evaporator end creates a pressure gradient which causes vapor to migrate to the condenser end where the vapor deposits its energy and condenses. Capillary force generated by the wick structure then draws the liquid back to the evaporator. A validation study was performed to compare the Sockeye code against data produced at the Ulsan National Institute of Standards and Technology for a slightly overfilled sodium heat pipe. The heat pipe was operated under natural convection cooling and a decreasing inactive length was observed. The experiment was modeled in Sockeye using the condenser pool model, the front non-condensable gas (NCG) model, and the mixture NCG model separately to reproduce the inactive length phenomenon. Also, a new capability was implemented in MOOSE to allow for conjugate heat transfer from the condenser based on the Churchill-Chu correlation for natural convection. The condenser pool model showed an increasing inactive length, demonstrating that the behavior was likely not caused by a pool of excess liquid. The front NCG model was able to show good agreement with the experiment, but it suffered convergence issues at the front. Finally, the mixture NCG model gave good results when the axial mesh was sufficiently refined. This work culminated in additions to the Sockeye documentation and a contribution to a journal article that will be published later. This poster is a summary of my work which I can take back to my university for presentation.

42 - ENGINEERING↗

Design Basis Document / Owner’s Technical Specification for Nitrate Salt Systems in CSP Projects (Final Technical Report)

The number of commercial coal, gas, and nuclear projects built over the past 100 years number in the thousands. As such, there is a large database, available to a wide range of commercial engineering contractors, on proven designs. In essence, unsuccessful designs have, through generations of iterations, been identified and then deleted from further consideration. In contrast, the number of commercial parabolic trough projects using nitrate salt for the thermal storage media is perhaps 60. Further, the number of commercial central receiver projects using nitrate salt as the working fluid is on the order of 20, including estimates for China. Given the relative immaturity of salt technology, and commercial pressures to successfully bid new solar projects into a mature electricity market, solar projects often promise more than has been delivered. The Design Basis Document / Owner’s Technical Specification is a first step in the iteration process. The report describes the successful features of commercial projects, outlines a range equipment and system failures in projects that didn’t operate as intended, and provides a draft set of design changes intended to correct the known problems. The product of the study is 3 volumes of technical material; one volume is on parabolic trough technologies; a second is on central receiver technologies, and the third is on potential design changes to parabolic trough and central receiver projects. The 3 volumes, which total some 590 pages, can be found at https://www.solardynllc.com/csp-plant-technologies. One of the principal topics in the report is the use of functional or prescriptive specifications. Functional specifications describe what the equipment needs to do, consistent with the minimum legal requirements of the local jurisdictions. The details of how this is to be accomplished is developed by the engineering contractor. Prescriptive specifications, which are developed by the Owner, prescribe to the engineering contractor how the functional requirements are to be met. This arrangement ensures that the favorable experience from a previous project is repeated. One example is the design code for the hot salt tank in central receiver projects. The closest design basis is API Standard 650 Welded Steel Tanks for Oil Storage. However, the maximum design temperature in API 650 is 260 °C. As such, solar projects have typically adopted a hybrid Code approach, in which allowable material stresses are taken from ASME Section II Materials. Further, since the tanks experience daily changes in temperature and in (static) pressure, and since portions of the tank can operate at stresses beyond the elastic range, the low cycle fatigue life of the tank is conducted using the rules of Section VIII Division 2. However, in a recent study by NREL, the principal damage mechanism was identified as creep rather than fatigue. Further, design stresses permitted under Section VIII Division 2, corresponding to a fatigue life of 30 years, result in projected creep lifetimes of only 2 to 5 years. An alternate design approach, prescribed by the Owner, would be based on Code sections intended for high temperature service in the creep regime. A candidate is Section III Division 5. Granted, this is a nuclear code section, and it’s use would not likely be mandated by local jurisdictions. However, the effects of creep have been deemed to be of sufficient importance that one nuclear project developer, and one central receiver project developer, have stipulated in the tank design specification that the equipment be designed to the requirements of Section III Division 5.

14 SOLAR ENERGY↗

Review of Technical Requirements for Inverter-Based Resources in Chile

This document compares the technical requirements in the grid code of Chile (NTSyCS) against the EirGrid (Ireland transmission system operator) and National Grid Electricity System Operator (NESO) grid codes and the Institute of Electrical and Electronics Engineers (IEEE) 2800-2022 standard for conventional inverter technology at the transmission and subtransmission levels in the process of being adopted by system operators in the U.S. The document is intended to be a guide and reference for future updates of the NTSyCS, considering the local system requirements and present improvements in inverter-based resource (IBR) technology. In light of the findings of the aforementioned comparative review, this document proposes and describes the requirements for conventional IBRs that could be incorporated and updated into the Chilean grid code. The document is structured around the main grid challenges posed by the transition to an IBR-dominated grid and conventional IBRs capabilities to help address them. This document does not provide guidance on how this specification should be implemented (e.g., through a mandate or market solution).

24 POWER TRANSMISSION AND DISTRIBUTION↗

CHEQUP v0.1

CHEQUP (Castro-based Hofi Expansion with QUasineutral Plasma) is a simulation code for modeling the formation of hydrodynamic optical-field-ionized (HOFI) plasma channels, which are used as waveguides in laser-plasma acceleration experiments. This includes experiments performed at LBNL's BELLA facility as well as other laser facilities across the world. CHEQUP extends the open-source Castro hydrodynamics framework with physics modules tailored for modeling HOFI plasma channels -- including multi-species ionization and three-body recombination for mixtures of hydrogen, nitrogen, helium, and argon ; a two-temperature model tracking electron and heavy-species temperatures separately ; and coupling with other codes of the BLAST ecosystem (https://blast.lbl.gov/) such as WarpX, via the openPMD standard. CHEQUP inherits from Castro the ability to run on modern GPU architectures (NVIDIA CUDA, AMD HIP) and supports adaptive mesh refinement (AMR) for efficient multi-scale resolution. Compared to existing tools, CHEQUP would be, to our knowledge, the first open-source code implementing the full HOFI channel formation physics, and the first implementation capable of running on GPUs. This enables significantly faster, large-scale parameter scans critical for the design of next-generation LPA-based accelerators and light sources.

Lehe, Remi [Lawrence Berkeley National Laboratory ↗

Idaho National Laboratory CY 2024 National Emission Standards for Hazardous Air Pollutants Analysis, Methodology, and Results for Radionuclides

This report documents the methodology and results for calculating the effective dose equivalent (EDE) to the maximally exposed individual (MEI) from atmospheric radionuclide emissions from Idaho National Laboratory (INL) sources in Calendar Year (CY) 2024. The calculations were performed in accordance with requirements in Code of Federal Regulations (CFR), Title 40, “Protection of the Environment,” Part 61, “National Emission Standards for Hazardous Air Pollutants (NESHAPs),” Subpart H, “National Emission Standards for Emissions of Radionuclides Other than Radon from Department of Energy Facilities” (40 CFR 61, Subpart H). UDFs were calculated using the computer model CAP88-PC for unit (1 Ci/yr) emission rates at INL Site facilities and INL in-town (Idaho Falls) facilities and stored in Microsoft Access databases. The UDFs—in this case, mrem/Ci—were then combined with radionuclide-specific release (emission) rates for each facility-specific source to compute doses at predetermined public receptor locations, including the MEI locations. This report contains the dose results and a description of the methodology and tools used to compute the doses.

07 - ISOTOPES AND RADIATION SOURCES↗

Sierra/SolidMechanics 5.20 ITAR Users' Guide: Addendum for Shock Capabilities

This is an addendum to the Sierra/SolidMechanics 5.20 User’s Guide that documents additional capabilities available only in alternate versions of the Sierra/SolidMechanics (Sierra/SM) code. These alternate versions are enhanced to provide capabilities that are regulated under the U.S. Department of State’s International Traffic in Arms Regulations (ITAR) export control rules. The ITAR regulated codes are only distributed to entities that comply with the ITAR export control requirements. The ITAR enhancements to Sierra/SM include material models with an energy-dependent pressure response (appropriate for very large deformations and strain rates) and capabilities for blast modeling. This document is an addendum only; the standard Sierra/SolidMechanics 5.20 User’s Guide should be referenced for most general descriptions of code capability and use.

97 MATHEMATICS AND COMPUTING↗

Sierra/SolidMechanics 5.22: ITAR Users Guide, Addendum for Shock Capabilities

This is an addendum to the Sierra/SolidMechanics 5.22 User’s Guide that documents additional capabilities available only in alternate versions of the Sierra/SolidMechanics (Sierra/SM) code. These alternate versions are enhanced to provide capabilities that are regulated under the U.S. Department of State’s International Traffic in Arms Regulations (ITAR) export control rules. The ITAR regulated codes are only distributed to entities that comply with the ITAR export control requirements. The ITAR enhancements to Sierra/SM include material models with an energy-dependent pressure response (appropriate for very large deformations and strain rates) and capabilities for blast modeling. This document is an addendum only; the standard Sierra/SolidMechanics 5.22 User’s Guide should be referenced for most general descriptions of code capability and use.

97 MATHEMATICS AND COMPUTING↗

Sierra/SolidMechanics, ITAR Users Guide (V.5.24): Addendum for Shock Capabilities

This is an addendum to the Sierra/SolidMechanics 5.24 User’s Guide that documents additional capabilities available only in alternate versions of the Sierra/SolidMechanics (Sierra/SM) code. These alternate versions are enhanced to provide capabilities that are regulated under the U.S. Department of State’s International Traffic in Arms Regulations (ITAR) export control rules. The ITAR regulated codes are only distributed to entities that comply with the ITAR export control requirements. The ITAR enhancements to Sierra/SM include material models with an energy-dependent pressure response (appropriate for very large deformations and strain rates) and capabilities for blast modeling. This document is an addendum only; the standard Sierra/SolidMechanics 5.24 User’s Guide should be referenced for most general descriptions of code capability and use.

42 ENGINEERING↗

Analysis of the impact of parallel magnetic fluctuations on linear gyrokinetic stability in NSTX-U and verification of gyro-fluid models

In this work, we use the CGYRO gyrokinetic code to analyze two L- and one H-mode discharges from the National Spherical Torus Experiment (NSTX) and NSTX-Upgrade (NSTX-U) selected due to their different mix of ion-scale driftwaves, ion temperature gradient (ITG) mode and trapped electron mode (TEM), and electromagnetic instabilities, kinetic ballooning mode (KBM), and micro-tearing mode (MTM) in the plasma core. It is found that the effect of parallel magnetic fluctuations is strongly destabilizing to the unstable KBMs compared to calculations with only perpendicular magnetic fluctuations. Two discharges have a mix of ITG/TEM and MTMs that are predicted to be dominant instability across the plasma radius. The parallel magnetic fluctuations are found to have little effect on the MTM stability but are destabilizing to ITG/TEM modes. To test the validity of the gyro-fluid linear stability codes TGLF and GFS at low aspect ratio, a database of linear growth rates has been created using the CGYRO gyrokinetic code. The database is comprised of various parameter scans around a standardized set of NSTX-U core parameters. It contains a group of electrostatic cases and an electromagnetic group that includes the effects of perpendicular and parallel magnetic fluctuations. Comparing the results from the GFS and TGLF models, we find that GFS exhibits the best agreement with the database of CGYRO linear growth rates. Comparing the model results for the electromagnetic scans shows that GFS captures the effects of parallel magnetic fluctuations accurately, while the TGLF model does not, as it lacks sufficient perpendicular energy resolution.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Covariant Quantum Error-Correcting Codes with Metrological Entanglement Advantage

Here, we show that a subset of the basis for the irreducible representations of a tensor-product SU(2) rotation forms a covariant approximate quantum error-correcting code with transversal U(1) logical gates. Generalizing previous work on “thermodynamic codes” to general local spin and different irreducible representations using only properties of the angular momentum algebra, we obtain bounds on the code inaccuracy under generic noise on any known 𝑑 sites, under independent and identically distributed noise, and under heralded 𝑑-local erasures. We demonstrate that this family of codes protects a probe state with quantum Fisher information surpassing the standard quantum limit when the sensing parameter couples to the generator of the U(1) logical gate.

quantum error correction↗

Implementation of High Temperature and Pressure fluid property interpolation tables

This document describes the use of module property_interpolate by John Doherty (Doherty,2006). The document “Fast Lookup of CO 2 Properties” describes the numerical details associated with lookup table. Rajeh Pawar modified property_interpolate for easier implementation in the FEHM code. George Zyvoloski modified the package to produce tables for water and air at very high temperatures and pressures. He also modified the auxiliary codes(drivers) to use newer datasets from the National Institute of Standards and Technology. We note here that within the files associated with FEHM there three property_interpolate modules. They are interpolate_2a.f90 (water), interpolate_2b.f90 (air) , and interpolate_2c.f90(CO 2 ). The interpolate_2c module is different than the earlier module produced by Rajeh Pawar in that it includes high temperature and pressure data. While FEHM has a number of fluid physics modules, this document will describe only the software and algorithms associated with water, water vapor, and heat (WH).

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Fabrication and Testing of Micro Flux Monitors in the High Flux Isotope Reactor

Neutron dosimetry is a critical technique to measure the neutron flux, fluence, and energy spectrum of nuclear reactors and can be used to indicate fuel reloading, high-power operations, or changes in cycle length. This work presents results of a novel device named the micro flux monitor, which is a miniaturized neutron dosimeter made from small quantities (100s of nanograms) of Ti, Al, Ni, and Au metals deposited on Si and high-purity fused silica substrates using standard semiconductor fabrication techniques. Approximately 1,250 of these devices were produced, and 40 were irradiated in the pneumatic tube facility of the Neutron Activation Analysis Laboratory at the High Flux Isotope Reactor. Testing demonstrated that dosimeter metals can be deposited predictably and repeatedly in multiple geometries, including as quick response (QR) codes. Neutron flux measurements with these devices were within 3% of measurements made using standard flux monitors, demonstrating the efficacy of these devices. Devices were also tested at 500°C under a N2 atmosphere and showed minimal degradation, suggesting they could be deployed for neutron dosimetry measurements in high-temperature advanced reactors.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

BBN-simple: How to bake a universe-sized cake

Big Bang Nucleosynthesis (BBN), the process of creation of lightest elements in the early universe, is a highly robust, precise, and ultimately successful theory that forms one of the three pillars of the standard hot-Big-Bang cosmological model. Existing theoretical treatments of BBN and the associated computer codes are accurate and flexible, but are typically highly technical and opaque, and not suitable for pedagogical understanding of the BBN. Here we present BBN-simple - a from-scratch numerical calculation of the lightest element abundances pitched at an advanced undergraduate or beginning graduate level. We review the physics of the early universe relevant for BBN, provide information about the reaction rates, and discuss computational-mathematics background that is essential in setting up a BBN calculation. Here, we calculate the abundances of the principal nuclear species in a standard cosmological model, and find a reasonably good agreement with public precision-level BBN codes.

Big bang nucleosynthesis↗

Verification of RESRAD-OFFSITE Code (V.4)

This report documents the verification of RESRAD-OFFSITE Version 4.0 and describes, where necessary, the verification of the following: • The data comprising the standard dose and risk coefficient libraries in the RESRAD database files Master_dcf_ICRP07.mdb and Master_dcf_2k.mdb. • The extraction and transfer of the data from the selected database file to the computational code by the RESRAD-OFFSITE 4.0 interface, ResOWin.exe. • The different processes that are modeled by the main computational code in RESRAD OFFSITE 4.0, ResOMain.exe. • The data displayed in the graphical and text reports. Many verifications were performed as part of the quality assurance quality control program associated with the development and release of RESRAD-OFFSITE 4.0, namely: • developer testing, • internal independent testing, and • release testing. Some were also performed in response to questions from users regarding the performance of the code. The main text of the report focuses on summarizing a subset of those tests, both independent and developer tests that verified the computations performed by the code. The verifications included in this report served as the basis for the development of the release tests of the computational executables and provided the quantitative results to be compared with the code output. The input and output interfaces and the data transfers between the various executables of the code were tested while performing the verification testing. They were tested intentionally during release testing. This report also provides some basic information to help in understanding the activities that were verified. The report: • outlines the components of RESRAD-OFFSITE 4.0 and the interconnections between these components, • outlines the processes modeled by the computational code, • provides summary figures and tables to offer confirmation of the verification of the computational components of the code, • reproduces the verifiers’ reports, if available, in individual appendices, • refers to the previous verification report (Yu et al. 2011) for more details about some of the verifications, and • reproduces the test cases and the testers’ reports from the release testing in individual appendices, when possible.

54 ENVIRONMENTAL SCIENCES↗

coh3

CoH3 (CoH ver.3) is an optical model, exciton pre-equilibrium, and Hauser-Feshbach statistical model code, which calculates nuclear reaction cross sections for medium to heavy targets in the keV to MeV energy region. This program is written in standard C++, divided into approximately 200 source and header files. CoH solves the Schroedinger equation for optical potentials defined in the code, and calculates differential elastic scattering, reaction, and total cross sections, for neutron, proton, deuteron, triton, 3He, and alpha-particle. Deformed optical potentials are solved with the coupled-channels method, in which the ground state rotational band members, or vibrational phonon states are coupled. The optical model gives particle transmission coefficients that are fed into the statistical model calculations. CoH includes the pre-equilibrium model (exciton model), the direct/semidirect capture model, and the multi-stage Hauser-Feshbach statistical decay with width fluctuation correction based on the Gaussian orthogonal ensemble. For weakly coupled levels, the DWBA (distorted wave Born approximation) method is used to calculate the direct inelastic scattering process to the excited states.

Kawano, Toshihiko↗

Fine Temperature Grid Continuous Energy Cross Section Generation for Monte Carlo Analysis of Xe-100 Design

The standard “A Compact ENDF (ACE)” data libraries used by Monte Carlo based reactor physics codes calculations are provided by Los Alamos National Laboratory (LANL) with a temperature interval mostly of 300 K (e.g. 300 K, 600 K, 900 K) for the cross sections and between 100 K and 200 K for the thermal scattering libraries (TSL). However, some codes such as MCNP lack capability to perform on-the-fly temperature interpolation during simulation both for neutron and TSL cross-sections. To evaluate the impact related to Doppler broadening and spectrum shift associated with TSL changes, this paper explores the potential of adopting a temperature grid finer than the ones contained in the standard data libraries. A 50 K temperature grid was employed to quantify the error in neutronics calculations due to temperature grid resolution. This was achieved by comparing the results of this study (50 K temperature interval) against the results obtained with standard data libraries (>100 K temperature interval). While the adopted grid primarily relies on the ENDF/B-VII.1 library, for neutron cross-sections, it utilizes ENDF/B-VIII.0 library for TSL. The analyses confirmed that the accuracy of neutronics calculations is satisfactory when using a 50 K temperature grid. Notably, adopting a 50 K temperature grid, as opposed to standard libraries or coarser temperature grids, could lead to a difference of no more than a few hundred pcm in dk for both fresh fuel and burnt fuel. The most sensitive reaction type to the temperature grid was as expected identified as the capture cross-section of U-238.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗