Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “nuclear simulation”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

High-fidelity, hyper-accurate, and evolved mutants rewire atomic-level communication in CRISPR-Cas9

The high-fidelity (HF1), hyper-accurate (Hypa), and evolved (Evo) variants of the CRISPR-associated protein 9 (Cas9) endonuclease are critical tools to mitigate off-target effects in the application of CRISPR-Cas9 technology. The mechanisms by which mutations in recognition subdomain 3 (Rec3) mediate specificity in these variants are poorly understood. Here, solution nuclear magnetic resonance and molecular dynamics simulations establish the structural and dynamic effects of high-specificity mutations in Rec3, and how they propagate the allosteric signal of Cas9. We reveal conserved structural changes and dynamic differences at regions of Rec3 that interface with the RNA:DNA hybrid, transducing chemical signals from Rec3 to the catalytic His-Asn-His (HNH) domain. The variants remodel the communication sourcing from the Rec3 α helix 37, previously shown to sense target DNA complementarity, either directly or allosterically. This mechanism increases communication between the DNA mismatch recognition helix and the HNH active site, shedding light on the structure and dynamics underlying Cas9 specificity and providing insight for future engineering principles.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Accelerated coupled Monte Carlo-Thermal hydraulic calculations using a hybrid GTF-diffusion-based prediction block: first results

Accurate predictions of spatial power and temperature distributions require the coupling of a neutron transport solver with a thermal-hydraulic (TH) feedback. Nowadays, Monte Carlo (MC) codes are widely coupled to TH solvers, typically via a Picard iteration (PI) method, due to the higher fidelity that such frameworks can produce. To speed up a PI, a prediction step can produce an improved initial guess for a source distribution and feed it to the MC code. Recent work investigated a prediction step that uses generalized transfer functions (GTFs) to predict the macroscopic cross sections' variations following a perturbation in TH properties, such as coolant density. The previous method also relied on first order perturbation (FOP) theory to predict perturbed power profiles, rather than using an expensive MC iterate. The implemented FOP method relied on generating a fission matrix from which the forward and adjoint Eigenmodes were extracted and later used to for power calculations. The generation of the fission matrix can introduce a significant computational overhead, therefore undermining the performance of the proposed hybrid technique when applied to high-dimensional problems, e.g., full core calculations. This work attempts to improve the GTF-FOP prediction step by replacing the FOP solver with a nodal diffusion solver, thus eliminating the need to calculate a fission matrix. The GTF-diffusion step was tested for various moderator density perturbations. In each case, the predicted power distribution showed good agreement with the reference case. The latter is attributed to the generally good prediction of most spatially distributed macroscopic cross sections, except the transport cross section, which will become the focus of future work. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

NucMesh: nuclear reactor geometry creation and mesh generation module in NEMoSys

NucMesh is a parameterized geometry and mesh generator for nuclear reactors developed within the Nuclear Energy Modeling System NEMoSys at Illinois Rocstar. NEMoSys is a platform developed for mesh generation, adaptive refinement, and solution verification. NucMesh is implemented to be generalized and extensible with a robust computer aided design engine and multiple mesh generation algorithms for unstructured triangular, quad-dominant, and structured quadrilateral meshing. In this paper, we present the geometric and meshing features of NucMesh. Geometrically objects are constructed bottom-to-top and overlaps are addressed automatically. A sophisticated object tracking algorithm prevents data from being lost for segmented objects. We discuss the primitive objects of circle and polygons that constitute the module and show how they are used with example inputs. Arrays of primitives and arrays of arrays are utilized to build large assemblies of objects. The concept of saved objects is discussed to demonstrate how repetitive objects can be reused easily and augmented in place. Three dimensional meshes can be obtained through mesh extrusion where all materials and side sets are extended to three dimensions. We show that side sets can be defined nearly anywhere within the geometry and can then be applied to the mesh. Finally, example reactor meshes are demonstrated for the Idaho National Laboratory Advanced Test Reactor and Los Alamos National Lab Empire reactor, both of which use control drums that NucMesh handles easily. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

Genesis Data Card Schema, Template and Supporting Tools

Genesis Data Cards provide a standardized template and schema for documenting scientific datasets in support of discovery, access, interoperability, reusability, governed use, and AI usability. This release of the Genesis Data Card repository includes a versioned Markdown template, a LinkML schema with generated Pydantic and JSON artifacts, schema documentation, and example completed data cards. Validation tooling is provided to ensure that completed data cards conform to the schema prior to submission. Accompanying documentation for the structured metadata is provided as a Field Reference Guide. The schema and accompanying template provided in this repository address the call for actionable context that enables humans and AI systems to find, access, interpret, cite, and reuse data, and, when appropriate, integrate it into AI and machine learning workflows. The data card is intended to serve as a common metadata artifact intended to support standardized, cross-program dataset documentation across Department of Energy (DOE)-aligned efforts, including but not limited to Genesis Mission-related implementations, the Office of Science, National Nuclear Security Administration (NNSA), and Advanced Simulation and Computing (ASC) data governance and stewardship initiatives.

data card↗
DOE OSTI2022

Study of a Proposed fissionTPC Measurement of 233 U(n,f)/ 235 U(n,f) Cross Section Ratio

A review of the available 233 U( n, f )/ 235 U( n, f ) cross section ratio data compared to the ENDF evaluation in the fast neutron energy range, 0.1–20 MeV, shows that discrepancies exist between some of the various measurements and the evaluation. The discrepancies vary and a function of incident neutron energy and range between 1–5%. In this document we review two potential options for performing new measurements of the cross section ratio to potentially resolve these discrepancies. The two options are compared and contrasted in terms of measurement accuracy and cost. The first option would utilize the fissionTPC, which was designed specifically to achieve measurement uncertainties of better than 1% to resolve a similar data–evaluation discrepancy in the 239 Pu( n, f ) cross section. While this would seem to be an ideal option in this case also, there are challenges. The fissionTPC is a complex instrument and the cost of maintenance and operations are significant. Furthermore, some of the fissionTPC equipment is nearing the end of its useful life which presents a risk to completion of a measurement campaign. The second option is to use a dual-fission chamber, which is the more traditional approach to these types of measurements. The cost is estimated to be about half that of a fissionTPC measurement, while the much simpler design of the detector reduces overall risk. The trade-off is the measurement uncertainty, which would be on order of 1–3% with a careful measurement and analysis. This uncertainty however may not be good enough to fully resolve the discrepancies. The objective of a new measurement would be the improvement in the ENDF evaluation with the end goal of improving the accuracy of models and simulations at the end of the nuclear data pipeline. An understanding of the sensitivity of these models to the data uncertainties would help guide the choice of measurement techniques.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Protecting Against Potential Issues in Thermal Neutron Scattering [Slides]

This presentation touches upon the TSL community that has been growing rapidly. Additionally, this presentation mentions the more exotic materials and theories that are being implemented in TSL files. This lecture concludes on three areas of potential concern: Coherent scattering, Computational simulations, and Isotopic distribution.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2025

Quantum Computing Strategy 2026

Quantum computing (QC) is a rapidly maturing technology with the potential for revolutionary impacts on stockpile stewardship science and national security. Recent developments in fault-tolerant architectures have compressed vendor roadmaps, and predictions of a production-ready quantum computer by the mid-2030s are becoming increasingly credible. This strategy provides a roadmap for integrating QC into the Advanced Simulation and Computing (ASC) program by investing in four strategic focus areas: 1. Develop Capabilities in Mission-Relevant Quantum Applications: ASC will prioritize developing quantum-ready applications in mission areas that have shown significant promise for quantum advantage, including simulations of materials in extreme environments, nuclear dynamics, solving linear and nonlinear partial differential equations, and uncertainty quantification. These applications directly support stockpile stewardship science and modernization objectives. 2. Conduct R&D in Algorithms, Software, and Hardware: Sustained research into quantum algorithms, robust software tools, and quantum hardware is essential. ASC will develop efficient quantum algorithms; invest in quantum compilers, debuggers, and performance tools; and explore specialized quantum hardware tailored to NNSA’s unique requirements. 3. Engage with Vendors and Partners: Early and active collaboration with commercial quantum hardware vendors and academic partners is critical. Through testbeds, co-design agreements, and quantum demonstration facilities, ASC will influence hardware design, gain early access to emerging technologies, and ensure that quantum platforms evolve to meet mission needs. 4. Build Knowledge, Experience, and Workforce: Expanding and upskilling the quantum-trained workforce is essential to long-term success. This includes hiring, internal training, university outreach, and postdoctoral support to ensure ASC maintains the expertise required to operate, program, and integrate quantum systems as they become available. While quantum computing will never replace classical computing, it has the potential to solve certain problems with speed and accuracy that would be unachievable using any conceivable classical high-performance computing (HPC) system. By investing strategically in QC, ASC will help propel the emergent QC industry, maintain U.S. technological leadership, ensure mission readiness, and position itself to rapidly adopt quantum technologies as they mature.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Effects of Magnetic Fields on Gas Dynamics and Star Formation in Nuclear Rings

Nuclear rings at the centers of barred galaxies are known to be strongly magnetized. To explore the effects of magnetic fields on star formation in these rings and nuclear gas flows, we run magnetohydrodynamic simulations in which there is a temporally constant magnetized inflow to the ring, representing a bar-driven inflow. The mass inflow rate is 1M ⊙ yr –1 , and we explore models with a range of field strength in the inflow. We adopt the TIGRESS framework developed by Kim & Ostriker to handle radiative heating and cooling, star formation, and resulting supernova (SN) feedback. We find that magnetic fields are efficiently amplified in the ring due to rotational shear and SN feedback. Within a few 100 Myr, the turbulent component Btrb in the ring saturates at ~35 μG (in rough equipartition with the turbulent kinetic energy density), while the regular component Breg exceeds 50 μG. Expanding superbubbles created by clustered SN explosions vertically drag predominantly toroidal fields from near the midplane to produce poloidal fields in high-altitude regions. The growth of magnetic fields greatly suppresses star formation at late times. Simultaneously, strong magnetic tension in the ring drives radially inward accretion flows from the ring to form a circumnuclear disk in the central region; this feature is absent in the unmagnetized model.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1978

Lithium and potassium heat pipes for thermionic converters

A prototypic heat pipe system for an out-of-core thermionic reactor was built and tested. The emitter of the concentric thermionic converter consists of the condenser of a tungsten heat pipe utilizing a lithium working fluid. The evaporator section of the emitter heat pipe is radiation heated to simulate the thermal input from the nuclear reactor. The emitter heat pipe thermal transport is matched to the thermionic converter input requirement. The collector heat pipe of niobium, 1% zirconium alloy uses potassium as the working fluid. The thermionic collector is coupled to the heat pipe by a tapered conical joint designed to minimize the temperature drop. The collector heat flux matches the design requirements of the thermionic converter.

Miskolczy, G.↗
NASA NTRS1978

Lithium and potassium heat pipes for thermionic converters

A prototypic heat pipe system for an out-of-core thermionic reactor has been built and tested. The emitter of the concentric thermionic converter consists of the condenser of a tungsten heat pipe utilizing a lithium working fluid. The evaporator section of the emitter heat pipe is radiation heated to simulate the thermal input from the nuclear reactor. The emitter heat pipe thermal transport is matched to the thermionic converter input requirement. The collector heat pipe of niobium, 1%-zirconium alloy uses potassium as the working fluid. The thermionic collector is coupled to the heat pipe by a tapered conical joint designed to minimize the temperature drop. The area ratio of the evaporator to condenser is 16:1, which increases the radiation area. The composite wick structure consists of seven arteries and cylindrical wraps. The collector heat flux matches the design requirements of the thermionic converter.

Miskolczy, G.↗
NASA NTRS2011

Z-Pinch Fusion Propulsion

Fusion-based nuclear propulsion has the potential to enable fast interplanetary transportation. Shorter trips are better for humans in the harmful radiation environment of deep space. Nuclear propulsion and power plants can enable high Ispand payload mass fractions because they require less fuel mass. Fusion energy research has characterized the Z-Pinch dense plasma focus method. (1) Lightning is form of pinched plasma electrical discharge phenomena. (2) Wire array Z-Pinch experiments are commonly studied and nuclear power plant configurations have been proposed. (3) Used in the field of Nuclear Weapons Effects (NWE) testing in the defense industry, nuclear weapon x-rays are simulated through Z-Pinch phenomena.

Miernik, Janie↗
DOE OSTI2020

Panel Session 100: An Integrated Systems-Based Monitoring Approach

This panel focused on recent advancements in monitoring and remaining challenges associated with the implementing cost-effective monitoring approaches for complex DOE sites. Monitoring presents one of the largest, long-term costs for environmental remediation and site stewardship within the DOE because contamination at complex sites will likely be present for tens to hundreds of years into the future. Integration of monitoring with predictive modeling is an approach that can reduce long-term monitoring costs as well as support the effective monitoring design and data interpretation for managing a site toward closure and long-term stewardship. Panelists with presentations: Autonomous Electrical Geophysical Monitoring of Contaminated Sites (Tim Johnson); Systems Based Long-Term Monitoring for DOE Legacy Management (David Shafer); Long-Term Systems Based Monitoring (Anderson Ward)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Hanford Tank Vapors in Worker Breathing Zones - Source, Dispersion, and Receptor Data - 20373

A wide range of organic and inorganic chemicals from historical Hanford Site processes are now stored in 177 underground storage tanks at the Hanford tank farms. Workers at the Hanford tank farms have expressed concerns about chemical vapor exposures for many years. During the spring of 2014, worker reports of chemical odors and/or symptoms prompted the development of the Savannah River National Laboratory Hanford Tank Vapor Assessment Team (TVAT) and their resulting independent assessment and recommendations concerning tank farm worker reports of vapors. The Tank Vapor Assessment report included a hypothesis that 'vapors coming out of tanks in high concentration (bolus) plumes sporadically intersected with the breathing zones of workers, resulting in brief but intense exposures to some workers.' The focus of this effort is to present current knowledge to describe the mechanisms by which workers may experience short duration vapor concentrations above background in the tank farms environment. The TVAT hypothesis that workers have experienced concentrations approaching 80% of the tank headspace up to 3 meters (10 feet) from tank sources is not supported by sampling data or modeling results. Modeling indicates that concentrations are quickly reduced from the source, and that the upper end of predicted concentrations at worker breathing zones are a factor of 10 or more lower than source concentrations. Area measurements corroborate the fact that worker breathing zone concentrations are 10 to 100 times lower than source concentrations, and events with elevated concentrations are rare. These reduced vapor concentration levels may result in detectable odors or irritation, depending on a worker's specific odor threshold and sensitivity to the chemical species. Short-duration vapor events may be mitigated by evaluating daily atmospheric conditions in conjunction with planned tank farm activities. Monitoring changing conditions related to tank vapors concentrations at the source and within worker breathing zone is also an important step to protect workers from short duration elevated concentration events. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗