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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Acceleration of Thermochemistry Solves in MOOSE and Pronghorn

This work focuses on the development and implementation of strategies to accelerate thermochemical calculations within MOOSE-based multiphysics simulations, particularly for applications in MSRs. We highlight the inherent complexity of nuclear materials, which require a multiscale approach to accurately model their behavior across various physical domains, including mechanical, chemical, and thermal phenomena. Thermochemical equilibrium calculations are crucial for predicting material properties and enhancing the fidelity of these simulations. The integration of Thermochimica, a Gibbs energy minimizer, into MOOSE allows for the direct minimization of Gibbs energy at every point on the mesh. However, the computational cost of such integration is significant. To address this, we explored acceleration strategies such as multi-threading support and the use of a thermodynamic ValueCache to reduce redundant calculations. Additionally, we investigated modifications to Thermochimica to enable phase constraints and improve its coupling with phase-field models, which are essential for simulating microstructural evolution and corrosion in MSR. These efforts aim to optimize the computational efficiency and accuracy of multiphysics simulations, thereby supporting the development of reliable and efficient nuclear materials for next-generation reactor technologies.

36 - MATERIALS SCIENCE↗
DOE OSTI2012

Multiphysics Applications of ACE3P

The TEM3P module of ACE3P, a parallel finite-element electromagnetic code suite from SLAC, focuses on the multiphysics simulation capabilities, including thermal and mechanical analysis for accelerator applications. In this pa- per, thermal analysis of coupler feedthroughs to supercon- ducting rf (SRF) cavities will be presented. For the realistic simulation, internal boundary condition is implemented to capture RF heating effects on the surface shared by a di- electric and a conductor. The multiphysics simulation with TEM3P matched the measurement within 0.4%.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

Coupled Decay Heat and Thermal Hydraulic Capability for Loss-of-Coolant Accident Simulations

As the nuclear energy industry considers ways to achieve improved economics in the current fleet of light-water reactors (LWRs), one possible approach is to operate each cycle for longer durations. This causes a greater portion of the fuel to be burned and reduces the frequency of outages, which ultimately reduces the cost to operate the reactor. However, this also leads to higher burnup fuels than has traditionally been allowed in these reactors. Thus, there are concerns about integrity of high-burnup (HBu) fuel, especially during accident conditions such as loss-of-coolant accidents (LOCAs), as shown by Capps et al.. To investigate these concerns, advanced modeling and simulation capabilities are being leveraged to determine the susceptibility of HBu fuel to fuel fragmentation, relocation, and dispersion (FFRD). Improvements have previously been made to fuel performance capabilities to more accurately model these phenomena; multiphysics simulations have also been conducted to determine the power and burnup histories of the HBu fuel, which are needed as inputs for the fuel performance calculations. Most recently, new statistical approaches have been developed to identify a subset of fuel rods that have greater FFRD susceptibility, reducing the total number of fuel performance simulations required. Prior LOCA simulations have relied on the TRACE systems code, which can model the core and primary loop during accident conditions. TRACE includes many models for various aspects of the primary loop, but two sets of models are important for this report. First, TRACE uses a lumped-fuel approach for modeling the core. This approximates the ~50,000 fuel rods in the core with a much smaller number of rods. The rods can be lumped in various ways as determined by the user. For example, one lumped rod may be used to represent all rods in an assembly, sometimes with an additional rod representing the hottest fuel rod. However, due to runtime constraints and complexity of modeling, a more common approach is to group several assemblies or larger regions of the core into single lumped rods. These lumping schemes apply not only to fuel rods but to flow channels as well. Second, TRACE has several different models for treating decay heat, ranging from pregenerated decay heat curves based on an ANSI/ANS-5.1 standard (hereinafter abbreviated simply as ANSI) to explicit time-dependent heat inputs from the user. None of these models account for differences in isotopics between different rods, which is an approximation the work in this report seeks to eliminate. This report focuses on the implementation of coupled decay heat capabilities in the Virtual Environment for Reactor Applications (VERA) code suite to address a gap identified in previous LOCA simulations. This constitutes an improvement for both the lumped-fuel and decay heat models in TRACE. VERA has been developed to perform high-fidelity, whole-core multiphysics simulations for LWRs. Previously, during the Consortium for Advanced Simulation of LWRs (CASL) program, the emphasis was on providing accurate steady-state analysis—with a secondary focus on reactivity insertion accident (RIA) analysis—to address operational challenges in the nuclear energy industry. Under the Department of Energy (DOE) Nuclear Energy Advanced Modeling and Simulation (NEAMS) program, these capabilities are being extended to a broader range of transient analyses with the goal of quantifying the risk of fuel failures such as FFRD. To properly model such conditions with VERA, decay heat calculations have been integrated with the multiphysics to enable rod-by-rod thermal hydraulic (TH) conditions to be driven by the decay heat in long-running accidents such as LOCAs.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Coupled Multiphysics Earthquake Simulation of MSRs

Earthquakes affect numerous nuclear power plants around the world and safe earthquake design requires that the physics of reactors subjected to earthquakes is well understood. This project attempts to understand the physics of molten salt reactors (MSRs) subjected to earthquakes using coupled multiphysics tools in MOOSE. A beyond-design-basis scenario of an unprotected pump trip (ULOFA) during an earthquake is analyzed.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2012

First steps toward a multiphysics exemplars and benchmarks suite

A workshop report (Keyes et al., 2012) summarizes challenges and opporunities in multiphysics simulations from algorithmic and architectural perspectives, where "algorithmic" includes both mathematical analysis and computational complexity and "architectural" includes both software and hardware environments. The report discusses the significant and still remaining key needs for conducting the mathematical analysis and developing the corresponding flexible software necessary to ensure that coupling schemes are accurate, stable, robust, consistent, and are implemented correctly, as prerequisites for developing predictive multiphysics simulations. Such work is essential for exploiting emerging extreme-scale computing resources for scientific discovery.

Keyes, D. E.↗
DOE OSTI2018

Prediction of the Lorentz Force Detuning and pressure sensitivity for a Pillbox cavity

The Lorentz Force Detuning (LFD) and the pressure sensitivity are two critical concerns during the design of a Superconducting Radio Frequency (SRF) cavity resonator. The mechanical deformation of the bare Niobium cavity walls, due to the electromagnetic fields and fluctuation of the external pressure in the Helium bath, can dynamically and statically detune the frequency of the cavity and can cause beam phase errors. The frequency shift can be compensated by additional RF power, that is required to maintain the accelerating gradient, or by sophisticated tuning mechanisms and control-compensation algorithms. Passive stiffening is one of the simplest and most effective tools that can be used during the early design phase, capable of satisfying the Radio Frequency (RF) requisites. This approach requires several multiphysics simulations as well as a deep mechanical and RF knowledge of the phenomena involved. In this paper, is presented a new numerical model for a pillbox cavity that can predict the frequency shifts caused by the LFD and external pressure. This method allows to greatly reduce the computational effort, which is necessary to meet the RF requirements and to keep track of the frequency shifts without using the time consuming multiphysics simulations.

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

Experimental validation of multiphysics model simulations of the thermal response of a cement clinker rotary kiln at laboratory scale

Abstract An increasing demand for buildings, transportation systems and civil infrastructure development has driven expansion of cement consumption world‐wide, producing a significant increase in related global energy demand. With approximately 7% of the world‐wide industrial energy consumption (10.7 exajoules [EJ]), the cement industry is the third most energy intensive industrial processes and a key component for concrete, the most consumed composite material in the global construction industry. In cement manufacturing, the cement kiln accounts for most of the energy consumption in the production process. As the heart of a cement plant, the cement kiln is where the kiln feed primarily containing calcium oxide (CaO), silica (SiO 2 ), alumina (Al 2 O 3 ), and iron (Fe 2 O 3 ) are thermally and chemically transformed into clinker minerals. The presented work developed a multiphysics model, designed and built a laboratory‐scale rotary cement clinker kiln, and produced cement clinker at laboratory‐scale. The model was developed to study the interaction between the various thermal, fluid dynamic and chemical interactions involved in the sintering process used to form Portland cement clinker in an effort to reduce energy use. The analytical model was validated through experimental testing using a unique laboratory‐scale rotary cement kiln developed during the investigation. Also demonstrated was the feasibility of producing clinker at laboratory scale. This modeling and lab scale tests were designed to better understand the clinker sintering process so that operational and quality decisions can be made to optimize energy consumption without compromising cement clinker quality. The computational fluid dynamics modeling was developed in COMSOL Multiphysics 6.0. The characteristics of the combustion fluid flow, concentration of species, temperature and heat transfer were studied for a turbulent flow of methane (CH 4 ) gas and oxygen (O 2 ). Theory suggests that heat transfer impacts the cement production process but the multiphysics model more accurately describes the convection, conduction, and radiant heat transfer in the kilning process and thus allows for a better understanding of the energy exchange driving the chemical reactions that produce Portland cement. Clinker minerals were formed because of appropriate burning conditions implemented during experimental model validation.

Tabares, Juan David↗
DOE OSTI2014

The iterative thermal emission method: A more implicit modification of IMC

For over 40 years, the Implicit Monte Carlo (IMC) method has been used to solve challenging problems in thermal radiative transfer. These problems typically contain regions that are optically thick and diffusive, as a consequence of the high degree of “pseudo-scattering” introduced to model the absorption and reemission of photons from a tightly-coupled, radiating material. IMC has several well-known features that could be improved: a) it can be prohibitively computationally expensive, b) it introduces statistical noise into the material and radiation temperatures, which may be problematic in multiphysics simulations, and c) under certain conditions, solutions can be nonphysical, in that they violate a maximum principle, where IMC-calculated temperatures can be greater than the maximum temperature used to drive the problem. We have developed a variant of IMC called iterative thermal emission IMC, which is designed to have a reduced parameter space in which the maximum principle is violated. ITE IMC is a more implicit version of IMC in that it uses the information obtained from a series of IMC photon histories to improve the estimate for the end of time step material temperature during a time step. A better estimate of the end of time step material temperature allows for a more implicit estimate of other temperature-dependent quantities: opacity, heat capacity, Fleck factor (probability that a photon absorbed during a time step is not reemitted) and the Planckian emission source. We have verified the ITE IMC method against 0-D and 1-D analytic solutions and problems from the literature. These results are compared with traditional IMC. We perform an infinite medium stability analysis of ITE IMC and show that it is slightly more numerically stable than traditional IMC. We find that significantly larger time steps can be used with ITE IMC without violating the maximum principle, especially in problems with non-linear material properties. The ITE IMC method does however yield solutions with larger variance because each sub-step uses a different Fleck factor (even at equilibrium)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Multiscale and multiphysics FEA simulation and materials optimization for laser ultrasound transducers

In this study, the relationship between the nanocomposite design and the laser ultrasound transducer (LUT) characteristics was investigated through simulations in multiple scale levels for material behavior, device response, and acoustic wave propagation in media. First, the effects of the nanoparticle size and concentration on the effective properties of composites were quantitatively investigated with the finite element analysis (FEA) method. Second, the effective properties of the nanocomposite were assigned to the layer, which is modeled as a homogeneous material, in the FEA for the LUT simulating the energy conversion from the incident laser to the acoustic wave. Finally, the ultrasound propagation in the water was calculated by a theoretical wave propagation model. The FEA-based prediction was compared with the experimental data in the literature and a theoretical analysis for LUT based on Thermal-Acoustic coupling. As a result, the ultrasound waves on the transducer surface and at a distance in the water could be predicted. Based on the hierarchically integrated prediction procedure, the optimal conditions of the photoacoustic nanocomposites were investigated through the parametric study with the particle size and concentration as variables. The results guide the material designs optimized for different device characteristics, such as high pressure and broad bandwidth.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Fornax: A Flexible Code for Multiphysics Astrophysical Simulations

This paper describes the design and implementation of our new multigroup, multidimensional radiation hydrodynamics code Fornax and provides a suite of code tests to validate its application in a wide range of physical regimes. Instead of focusing exclusively on tests of neutrino radiation hydrodynamics relevant to the core-collapse supernova problem for which Fornax is primarily intended, we present here classical and rigorous demonstrations of code performance relevant to a broad range of multidimensional hydrodynamic and multigroup radiation hydrodynamic problems. Our code solves the comoving-frame radiation moment equations using the M1 closure, utilizes conservative high-order reconstruction, employs semi-explicit matter and radiation transport via a high-order time stepping scheme, and is suitable for application to a wide range of astrophysical problems. To this end, we first describe the philosophy, algorithms, and methodologies of Fornax and then perform numerous stringent code tests that collectively and vigorously exercise the code, demonstrate the excellent numerical fidelity with which it captures the many physical effects of radiation hydrodynamics, and show excellent strong scaling well above 100,000 MPI tasks.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Mesh infrastructure for coupled multiprocess geophysical simulations

We have developed a sophisticated mesh infrastructure capability to support large scale multiphysics simulations such as subsurface flow and reactive contaminant transport at storage sites as well as the analysis of the effects of a warming climate on the terrestrial arctic. These simulations involve a wide range of coupled processes including overland flow, subsurface flow, freezing and thawing of ice rich soil, accumulation, redistribution and melting of snow, biogeochemical processes involving plant matter and finally, microtopography evolution due to melting and degradation of ice wedges below the surface. In addition to supporting the usual topological and geometric queries about the mesh, the mesh infrastructure adds capabilities such as identifying columnar structures in the mesh, enabling deforming of the mesh subject to constraints and enabling the simultaneous use of meshes of different dimensionality for subsurface and surface processes. The generic mesh interface is capable of using three different open source mesh frameworks (MSTK, MOAB and STKmesh) under the hood allowing the developers to directly compare them and choose one that is best suited for the application's needs. We demonstrate the results of some simulations using these capabilities as well as present a comparison of the performance of the different mesh frameworks.

58 GEOSCIENCES↗
DOE OSTI2021

Detailed analyses of a TRISO-fueled microreactor: Modeling of a Micro-Reactor System using NEAMS Tools

Our analysis provides preliminary confirmation of the feasibility of applying the NEAMS codes for multiphysics simulations to model load following transients and accidental scenarios. Detailed demonstration was performed on a simple unit-cell model to perform transient simulations, while verifying accuracy of the multiphysics solution obtained with the NEAMS codes. Results on the full core focused on showcasing the multiphysics workflow rather than detailed verification of the results, at least for this report.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

Model Validation and Uncertainty Quantification on the KRUSTY Microreactor Design Using GRIFFIN Neutron Transport Code [Poster]

Argonne National Laboratory (ANL) and INL have developed a GRIFFIN steady state neutronics model for the multiphysics simulations of the Kilopower Reactor Using Sterling TechnologY (KRUSTY) microreactor in the Multiphysics Object Oriented Simulation Environment (MOOSE). The reliability of such deterministic neutronics models can be validated by comparing with computations from Monte Carlo codes (e.g. MCNP, SERPENT, OpenMC, Shift, etc). Furthermore, potential modeling/design improvements can be identified by incorporating uncertainty quantification (UQ), which can be performed by MOOSE’s Stochastic Tools Module (STM). KRUSTY is a prototype for a 5-kW thermal nuclear-powered space reactor. Its primary components consist of nuclear fuel, heat pipes, a control rod, a reflector, and the shielding. The fuel consists of 3 stacked U-7.65Mo cylinders with a hole in the center for the control rod. 8 liquid sodium heat pipes transfer fission energy from the solid fuel block to the Sterling power conversion system where the energy is extracted, and the cooled sodium flows back to the core via capillary action . The movable Boron Carbide control rod regulates the neutron population during startup or when a reactor temperature boost is needed . The beryllium oxide reflector is in 3 places in the reactor; it surrounds the core axially, it lies beneath the core on a platen, and it is present in the shim. The axial and lower reflectors rest on an adjustable stainless-steel platen that moves upward to cover the fuel and help the reactor reach criticality. Lastly, radial stainless steel surrounds the core offering protection from radiation exposure .

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

A Tool Kit for Generating Simulated Radiation Measurements for Advanced Reactor Safeguards and Security

A tool kit was developed to simulate and analyze passive radiation measurements of molten salt reactor (MSR) operations to support development of nuclear safeguards approaches for this emerging reactor technology. A Transient Simulation Framework of Reconfigurable Modules (TRANSFORM) multiphysics simulation of an MSR produces time-dependent isotopic inventories at user-selected locations within the model. The tool kit implements the Gamma Detector Response and Analysis Software (GADRAS) application programming interface to inject the TRANSFORM isotopic inventories extracted/processed by a Python pipeline into GADRAS models of user-defined geometries. The TRANSFORM inventories are the source terms used to obtain synthetic measurements from GADRAS-defined detectors. The speed of TRANSFORM and GADRAS simulations enables surveying the large design space of MSRs (e.g., fuel type, fuel salt composition, number of loops) and the plethora of measurements (e.g., location, detector type, and collimation) within the reactor. This has enabled timely assessment of the various measurement locations and detectors to identify the most effective and efficient safeguards approach for a specific MSR design. Lastly, the tool kit also simulates extracted samples that can be aged to a desired dose, enabling stakeholders to optimize a measurement plan to use sample analysis as an element within a broader material accountancy plan.

Westphal, Greg↗