Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “materials simulations”

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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Stabilized Hyperfoam Modeling of the General Plastics EF4003 (3 PCF) Flexible Foam

Constitutive model parameterizations for the General Plastics EF4003 low density 3 pound per cubic foot are needed for design and qualification purposes in normal and abnormal mechanical simulations. The material is expected to be deformed in two ways: first during preloading, and second under impact conditions of the system (transient dynamic). All analyses are to be performed at room temperature. The goal is to provide the analysis community a robust constitutive model parameterization to represent the compression behavior of the EF4003 foam from small deformations up to massive compressive deformations when the foam is densifying. It is worth noting the EF4003 exhibits anisotropy in its stress-strain behavior between the rise and transverse directions (See figure 2.8c-d) as well as plateau behavior that is very likely to cause material stability issues, due to the buckling transition, (and has historically done so) when using Sandia’s current workhorse models for flexible foams, Hyperfoam and Flex Foam. A Stability-informed Hyperfoam parameterization procedure is developed and executed to calibrate a hyperfoam model for the EF4003 room temperature, transversely loaded data. A rise orientation parameterization was not attempted due to localization in the experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Snowmass2021 Topical Group Report from AF07: Targets and Sources

For the next multi-megawatt accelerator generation, targets and other beam-intercepting components will face even more severe challenges due to the higher power densities, higher energy, and higher radiation. A comprehensive research and development program must be implemented to address the challenges. International collaborations such as RaDIATE or High Power Targetry Workshop should be leveraged and expanded to accelerate knowledge gain and avoid duplicated efforts. The next generation of high power targets will need novel designs allowing better high heat flux cooling methods, novel materials, advanced simulations, and better instrumentation. Four main R&D tracks were identified and discussed for targets. For electron sources, current state of art and challenges we are facing for key components such as cathodes, guns and injector design for sources R&D are presented for highly polarized electrons and unpolarized high current high brightness beams. For ion sources such as electron cyclotron resonance ion source (ECRIS), laser ion source (LIS), charge breeders, status of development are reviewed, and areas require investment for future R&D are discussed separately. Facilities critical for various source development are recommended.

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

Advanced Modeling and Simulations for Evaluation of Thermal Neutron Scattering Materials [Slides]

In this presentation, researchers detail tradeoffs between two simulation suites for thermal neutron scattering data. OXLIMAX + MCViNE provide a more accurate elastic peak shape and NJOY + MCNP have more accurate spectra between phonon mode peaks (most likely due to multiple neutron scattering). Additionally, some outstanding issues with MCViNE are noted, including multiple neutron scattering and non-uniform (Q,E) grid for data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
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 OSTI2025

Bridging the length scales in ionic separations via data-driving machine learning

We pursued a data science driven machine learning (ML) approach that blended molecular scale attributes informed from molecular dynamics (MD) simulation and materials properties to the selectivity and energy efficiency in targeted ionic separations using electric fields. The model mixtures investigated for ionic separations are pH sensitive and include organic acids, silica and boron, transition metals, such as copper and chromium. There were two major research thrusts of this project. Firstly, we investigated surrogate models and deep learning that relate material chemistries and structures to selective transport of ionic species under applied electric fields. Secondly we investigated how the bipolar junction interfacial design and water dissociation catalyst in bipolar membranes affect reverse bias polarization behavior and pH modulation in deionization platforms as a function of the platform operating parameters (e.g., cell voltage, residence time, and salt feed concentration). As a result of this work, we also were able to start a new direction, namely ML models for molecular design of surfactants.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Advancing Superconducting Magnet Diagnostics for Future Colliders

Future colliders will operate at increasingly high magnetic fields pushing limits of electromagnetic and mechanical stress on the conductor [1]. Understanding factors affecting superconducting (SC) magnet performance in challenging conditions of high mechanical stress and cryogenic temperatures is only possible with the use of advanced magnet diagnostics. Diagnostics provide a unique observation window into mechanical and electromagnetic processes associated with magnet operation, and give essential feedback to magnet design, simulations and material research activities. Development of novel diagnostic capabilities is therefore an integral part of next-generation magnet development. In this paper, we summarize diagnostics development needs from a prospective of the US Magnet Development Program (MDP), and define main research directions that could shape this field in the near future.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Investigation of Process Emissions during Thermal Cutting of Clad Metals from the Nuclear Sector - 20183

Typically, reactor pressure vessels as well as steam generators comprising low alloyed steel with a cladding of stainless steel. Recently the permissible values for Cr (VI) in the air of the working areas have been reduced in Germany from 100 μg/m{sup 3} to 1 μg/m{sup 3} air. This results in the danger that even with low-alloy steel with claddings these limit values would be exceeded when using flame cutting technologies. In order to ensure compliance with the permissible limit values, exhaust gas systems with gas cleaning measures are provided. The process emission test shall replace the assumptions required for the design of these systems with measured values. NUKEM Technologies Engineering Services GmbH (NUKEM) has chosen autogenous flame cutting as an example of a thermal cutting system for process emission testing, as there are no proven values in the literature for the Cr (VI) and NiOx emissions produced. The autogenous flame cutting can be used for a variety of cutting tasks within decommissioning projects. In order to simulate the material to be cut, mock ups were generated and cut from information about the material specification for the reactor pressure vessel from existing nuclear power plants including possible claddings. The cutting length needed for analysis in the test will be maximum 100 mm. The airborne emissions from the thermal cutting process will be captured and analyzed as follows: - Dust emission: The generated particles will be collected by a hood equipped with strong suction device and suitable filter elements. The resulting filter is gravimetrically measured before and after the tests. - Particle Size Distribution: The airborne particle size distribution measurement will result in figures for the size and number of particles arising from the thermal cutting process. - Gas Analysis: The gas analysis enables the determination of e.g. CO{sub 2}, CO, O{sub 3}, NO, NO{sub 2}. - Cr (VI) and NiOx Analysis: For the Cr (VI) and NiOx analysis, samples of the filter residue will be taken. As a result Cr (VI) in relation to total Cr as well as the Ni content will be determined by ICP-optically emission spectroscopy and put in relation to the total dust amount. The process emissions test itself as well as the necessary gas analyses and spectroscopic analyses were carried out at the Institute of Materials Science (IW) of Leibniz Universitaet Hannover (LUH). The results of the process emission tests are used to confirm the design of the gas cleaning systems. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Simulation of Reverse Osmosis Membrane Compaction Using Material Point Method (MPM)

Access to fresh drinking water in the future requires effective management of industrial wastewater and water purification from available resources. In this study, we present the simulation methodology and the analysis of a Reverse Osmosis (RO) membrane under various pressure conditions using the Material Point Method (MPM). In contrast to other numerical methods, MPM solves the continuum governing equations on material points in a Lagrangian framework. The method does not require a grid connecting the material points hence making it suitable to simulate large deformations during membrane compaction. The time integration is carried out using the explicit Euler method, while the spatial discretization is performed using linear or cubic-spline shape functions. A series of planar images containing detailed pore structures obtained from X-ray tomography experiments is converted to a three-dimensional collection of material points to simulate the membrane. Compressive loads are applied to the top layer of the membrane to simulate the experiments. The membrane deformation and pore size distribution before and after load application are reported and compared with the experimental measurements. The presentation discusses the numerical methods used, the performance of the solver on high-performance computing machines, and the results of membrane compaction in detail.

ENGINEERING,MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Improving Predictive Capability in REHEDS Simulations with Fast, Accurate, and Consistent Non-Equilibrium Material Properties

Predictive design of REHEDS experiments with radiation-hydrodynamic simulations requires knowledge of material properties (e.g. equations of state (EOS), transport coefficients, and radiation physics). Interpreting experimental results requires accurate models of diagnostic observables (e.g. detailed emission, absorption, and scattering spectra). In conditions of Local Thermodynamic Equilibrium (LTE), these material properties and observables can be pre-computed with relatively high accuracy and subsequently tabulated on simple temperature-density grids for fast look-up by simulations. When radiation and electron temperatures fall out of equilibrium, however, non-LTE effects can profoundly change material properties and diagnostic signatures. Accurately and efficiently incorporating these non-LTE effects has been a longstanding challenge for simulations. At present, most simulations include non-LTE effects by invoking highly simplified inline models. These inline non-LTE models are both much slower than table look-up and significantly less accurate than the detailed models used to populate LTE tables and diagnose experimental data through post-processing or inversion. Because inline non-LTE models are slow, designers avoid them whenever possible, which leads to known inaccuracies from using tabular LTE. Because inline models are simple, they are inconsistent with tabular data from detailed models, leading to ill-known inaccuracies, and they cannot generate detailed synthetic diagnostics suitable for direct comparisons with experimental data. This project addresses the challenge of generating and utilizing efficient, accurate, and consistent non-equilibrium material data along three complementary but relatively independent research lines. First, we have developed a relatively fast and accurate non-LTE average-atom model based on density functional theory (DFT) that provides a complete set of EOS, transport, and radiative data, and have rigorously tested it against more sophisticated first-principles multi-atom DFT models, including time-dependent DFT. Next, we have developed a tabular scheme and interpolation methods that compactly capture non-LTE effects for use in simulations and have implemented these tables in the GORGON magneto-hydrodynamic (MHD) code. Finally, we have developed post-processing tools that use detailed tabulated non-LTE data to directly predict experimental observables from simulation output.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Software Quality Assurance Plan ANSYS LSDYNA Version 2023R1

ANSYS Inc. develops and markets engineering simulation software and services used in the aerospace, automotive, manufacturing, electronics, biomedical, energy, defense, and many other industries. ANSYS is dedicated to engineering simulation and is the world’s leading software provider. ANSYS was founded in 1970 and is headquartered in Canonsburg, Pennsylvania. ANSYS provides an engineering analysis tool combining structural, thermal, computational fluid dynamics, acoustic and electromagnetic simulation capabilities. ANSYS LS-DYNA is the most used explicit simulation program capable of simulating the response of materials to short periods of severe loading. Its many elements, contact formulations, material models, and other controls can be used to simulate complex models with control over all the details of the problem. ANSYS LS-DYNA has a vast array of capabilities to simulate extreme deformation problems using its explicit solver. Engineers can tackle simulations involving material failure and look at how the failure progresses through a part or through a system. Models with large amounts of parts or surfaces interacting with each other are also easily handled, and the interactions and load passing between complex behaviors are modeled accurately. Using computers with higher numbers of CPU cores can drastically reduce solution times. In addition, many consulting firms and hundreds of universities use ANSYS for analysis, research, and educational purposes. ANSYS is recognized worldwide as one of the most widely used and capable programs of its type. ANSYS has successfully passed over 100 customer quality system audits against American Society of Mechanical Engineers (ASME) NQA-1 and 10 CFR Part 50, Appendix B, since the company was founded, over 60 of which have been since 1997. ANSYS has successfully passed over 100 International Organization for Standardization (ISO) 9001 assessments. ANSYS design analysis software is the first created within a quality system with ISO 9001 certification, which is the internationally accepted quality standard. Product development, testing, maintenance, and support processes also meet the US Nuclear Regulatory Commission’s (NRC’s) quality requirements, as they have for nearly four decades. ANSYS staff perform more than 60,000 software verification tests before releasing each new product. ASME NQA-1-2012 (Subpart 2.7 is specific to software) is the industry- and NRC-accepted approach (consensus standard) for meeting 10 CFR Part 50, Appendix B, requirements.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Report on the "Symposium on Advancements in Simulating Neutron Scattering Instruments and Experiments"

An international group of researchers gathered for the “Symposium on Advancements in Simulating Neutron Scattering Instruments and Experiments” at Oak Ridge National Laboratory (ORNL) on October 29- 30, 2024. The symposium highlighted state-of-the-art advancements in neutron scattering instrument simulations and the development of digital twins for scattering instruments. This document summarizes the recurring themes from the 19 talks and discussions. A key focus was on the role of neutronics simulations in the design, analysis, and performance optimization of neutron instruments. Presentations featured the most widely used software packages, such as McStas, McVine, Vitess, and MCNP. Another major theme addressed the analysis and interpretation of experimental neutron data, where materials models and simulations play a critical role. Talks on relevant software tools, including NCrystal, OCLimax, and Paradyse, were delivered by their respective developers. During the symposium, both talks and breakout sessions explored strategies to enhance the interplay between neutronics simulations and materials models. A key question emerged: How can we develop a RealTime Explainable Digital Twin of a neutron scattering experiment? Discussions include the idea that the Digital Twin concept has implications for instrument control and testing. Through this symposium, we gained valuable insights into the challenges and requirements for developing a Real-Time Explainable Digital Twin of a neutron scattering experiment. The discussions and presentations paved the way for future innovations in this rapidly advancing field.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗