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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 901 records · Page 50

Radiation Hydrodynamics in the Lagrangian Application Project’s LUMOS code

Starting in 2019, the Lagrangian Applications Project (LAP) and the Transport Project set out to develop a new ALE/Lagrangian radiation-hydrodynamics (RH) capability in a new code product named LUMOS. This work was done under the guidance of the Advanced Simulation and Computing (ASC) program with the goal of producing software capable of leveraging the high-order thermal radiative transfer (TRT) solvers provided by the Jayenne and Capsaicin software projects. This capability supplements the existing gray diffusion solver that is currently available in LAP’s FLAG code [1, 2, 3] for RH. The remainder of this memo describes the coupling of the radiation and hydrodynamics solvers within LAP’s LUMOS code. Initially delivered in 2020 as part of an L2 milestone [4], this capability continues to mature in FY21 with more efficient and robust algorithms, new support for ALE, and support for mixed materials per cell. Today, LUMOS is provided as a standard end-user product in the suite of LAP tools provided in each release cycle. Code access can be requested at https://asc.lanl.gov.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

MRP and NEAMS Meeting - Current Modeling to Support Experiments

Heat-pipe cooled micro-reactor is currently being actively investigated in the NS&T department at INL. Given the high operation temperature and large temperature gradients in the system, the induced thermal stresses need to be well analyzed and kept within the safety margin. Two commercial FEM software (ABAQUS and STAR-CCM+) have been proposed to simulate and compare for both the temperature and stress distributions for the single heat pipe experiments, with the middle single heat pipe and 6 heaters surrounded. This presentation file is aimed to provide the latest updates for the researchers who is under NEAMS program and involved with the DOE micro-reactor program

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Development of Lightweight Structural Materials with Improved Properties for Fission Batteries

The notion of a “fission battery” conveys a vision focused on realizing very simple “plug-and-play” nuclear systems that can be integrated into a variety of applications requiring affordable, reliable energy in the form of electricity and/or heat and function without operations and maintenance staff. Fission batteries require lightweight structural materials to increase their mobility, and the lightweight materials must demonstrate structural resilience under various conditions. The objective of this work is to develop lattice structured lightweight structural material featuring a good combination of mechanical properties using advanced modeling and simulation together with an advanced additive manufacturing technique such as laser powder bed fusion. The preliminary results show that different lattice structures and types can be successfully meshed using nTopology software, and the lattice structure data can be successfully transformed to Multiphysics Object-Oriented Simulation (MOOSE) Environment input. Finite Element Analysis (FEA) displays that, at macro/engineering scale simulation, the weight saving design has an obvious effect on tensile behavior such as effective elastic modulus and yield stress. The novel approaches of this work are (1) development of lattice structures for improved mechanical properties using advanced simulation and modeling techniques; and (2) model predictions of the mechanical properties (e.g., strength and stress distribution) of macroscopic materials in order to preliminarily select a lattice structure for additive manufacturing.

36 MATERIALS SCIENCE↗

GeoThermalCloud for EGS – An Open-source, User-friendly, Scalable AI Workflow for Modeling Enhanced Geothermal Systems

Enhanced Geothermal Systems (EGS) offer a vast potential to expand the use of geothermal energy. Heat is extracted from this engineered system by injecting relatively cold water into subsurface fractures, which are in contact with hot dry rock, and brought back to surface through production wells. Creating EGS requires improving the natural permeability of hot crystalline rocks. In this short conference paper, we present a reproducible workflow for modeling EGS. Our workflow called the GeoThermalCloud (GTC) for EGS, leverages recent advances in machine learning, deep learning, and high-performance computing. This GTC framework is currently being made open-source, user-friendly, and reproducible through python scripts as well as Google Colab/Jupyter Notebooks. This GTC for EGS modeling scripts are made available at https://github.com/SmartTensors/GeoThermalCloud.jl/tree/master/EGS and will constantly be updated to cater for geothermal community. Current GTC framework provides scripts to train deep learning (DL) models for techno-economics and data worth analysis. The Geothermal Design Tool (https://github.com/GeoDesignTool/GeoDT.git), a fast and simplified multi-physics solver, is used to develop a database for training DL models. This short paper provides details on the scripts to curate, process, and train DL models. The scripts can easily be modified to train on databases generated by other popular open-source simulators such as PFLOTRAN, STOMP, TOUGH, and GEOSX or commercial software such as ResFrac and COMSOL.

15 GEOTHERMAL ENERGY↗

COMPUTER-AIDED LATTICE DESIGN AND ADVANCED MODELING FOR THE DEVELOPMENT OF LIGHTWEIGHT STRUCTURAL MATERIALS

The notion of a “fission battery” conveys a vision focused on realizing very simple “plug-and-play” nuclear systems that can be integrated into a variety of applications requiring affordable, reliable energy in the form of electricity and/or heat and function without operations and maintenance staff. Fission batteries require lightweight structural materials to increase their mobility, and the lightweight materials must demonstrate structural resilience under various conditions. The objective of this work is to develop lattice structured lightweight structural material featuring a good combination of mechanical properties using advanced modeling and simulation together with an advanced additive manufacturing technique such as laser powder bed fusion. The preliminary results show that different lattice structures and types can be successfully meshed using nTopology software, and the lattice structure data can be successfully transformed to Multiphysics Object-Oriented Simulation (MOOSE) Environment input. Finite Element Analysis (FEA) displays that, at macro/engineering scale simulation, the weight saving design has an obvious effect on tensile behavior such as effective elastic modulus and yield stress. The novel approaches of this work are (1) development of lattice structures for improved mechanical properties using advanced simulation and modeling techniques; and (2) model predictions of the mechanical properties (e.g., strength and stress distribution) of macroscopic materials in order to preliminarily select a lattice structure for additive manufacturing.

36 MATERIALS SCIENCE↗

Development of Lightweight Structural Materials with Improved Properties for Fission Batteries

The notion of a “fission battery” conveys a vision focused on realizing very simple “plug-and-play” nuclear systems that can be integrated into a variety of applications requiring affordable, reliable energy in the form of electricity and/or heat and function without operations and maintenance staff. Fission batteries require lightweight structural materials to increase their mobility, and the lightweight materials must demonstrate structural resilience under various conditions. The objective of this work is to develop lightweight structural material featuring a good combination of mechanical properties using advanced modeling and simulation together with an advanced additive manufacturing technique such as laser powder bed fusion. The preliminary results show that different lattice structures and types can be successfully meshed using nTopology software, and the lattice structure data can be successfully transformed to Multiphysics Object-Oriented Simulation Environment (MOOSE) input. Finite Element Analysis (FEA) displays that, at macro/engineering scale simulation, the weight saving design has an obvious effect on tensile behavior such as effective elastic modulus and yield stress. The novel approaches of this work are (1) development of optimized lattice structures for improved mechanical properties using advanced simulation and modeling techniques; and (2) model predictions of the mechanical properties (e.g., strength and stress distribution) of macroscopic materials in order to preliminarily select a lattice structure for additive manufacturing.

36 MATERIALS SCIENCE↗

CMS Full Simulation for Run 3

We report the status of the CMS full simulation for Run 3. During the long shutdown of the LHC a significant update has been introduced to the CMS code for simulation. The CMS geometry description is reviewed. Several important modifications were needed. CMS detector description software is migrated to the DD4Hep community developed tool. We will report on our experience obtained during the process of this migration. Geant4 10.7 is the CMS choice for Run 3 simulation productions. We will discuss arguments for this choice, the strategy of adaptation of a new Geant4 version, and will report on the physics performance of the CMS simulation. A special Geant4 Physics List configuration FTFP_BERT_EMM will be described, which provides a compromise between simulation accuracy and CPU performance. A significant fraction of time for simulation of CMS events is spent on tracking of charged particles in a magnetic field. In the CMS simulation a dynamic choice of Geant4 parameters for tracking in field is implemented. A new method is introduced into simulation of electromagnetic components of hadronic showers in the electromagnetic calorimeter of CMS. For low-energy electrons and positrons a parametrization of GFlash type is applied. Results of tests of this method will be discussed. In summary, we expect about 25% speedup of the CMS simulation production for Run 3 compared to the Run 2 simulations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Particle Sensitivity Analysis

We propose to develop a computational sensitivity analysis capability for Monte Carlo sampling-based particle simulation relevant to Aleph, Cheetah-MC, Empire, Emphasis, ITS, SPARTA, and LAMMPS codes. These software tools model plasmas, radiation transport, low-density fluids, and molecular motion. Our report demonstrates how adjoint optimization methods can be combined with Monte Carlo sampling-based adjoint particle simulation. Our goal is to develop a sensitivity analysis to drive robust design-based optimization for Monte Carlo sampling-based particle simulation - a currently unavailable capability.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

An integrated modeling framework with open architecture for phase field simulation of multi-component alloys

An integrated modeling framework (PanPhaseField) has been developed, which enables a direct and fast coupling between CALPHAD calculations and large-scale phase field simulations for multi-component alloys. Further, it adopts an open architecture allowing for integration of user-defined phase field models in a plug-and-play manner by taking full advantage of the user-friendly graphical interface of Pandat software. The developed modeling platform becomes an enabling tool that can be used to simulate the evolution of spatially varying microstructures of industrial complex alloys for various engineering applications.

36 MATERIALS SCIENCE↗

Hardware-in-the-Loop Using Electromagnetic Transient Simulation

Digital real time simulators have the capability to run electromagnetic transient simulations in real time. This capability allows users to leverage the hardware-software combination to evaluate controller performance, protection device performance, and power device performance. This has helped many field deployment projects to be successful and be cost-effective. In this talk, we will present current state-of-art, and future of real time electromagnetic transient simulation and its impacts on field deployment.

08 HYDROGEN↗

Grain2Mesh: Mesh Generation for Grain-Scale Nonlinear Elasticity Modeling

The nonlinear hysteretic behavior of rocks under cyclic loading is a crucial area of study in geomechanics. The macroscopic response of a variety of materials has been found to be contingent upon the behavior of the micro-scale structure. This project aims to develop a functional and maintainable software package for generating a multi-phase numerical mesh and accompanying simulation files for finite element modeling used in computational mechanics solvers. Meshes generated from images often lack key preprocessing that reduces noise and prevents mesh element distortion that can increase computational cost. By incorporating user feedback throughout, grain2mesh ensures a high-fidelity mesh that can be used to model grain-scale interactions such as shearing, crack propagation, and interfacial material contrast. Scientific applications of this software include material fracturing, stress-strain analysis for natural and engineered materials, and nonlinear meso-scale analysis.

54 ENVIRONMENTAL SCIENCES↗

Powering Data Centers with Clean Energy: A Techno-Economic Case Study of Nuclear and Renewable Energy Dependability

Rising data demands from artificial intelligence (AI) and large language models (LLMs) generating images, videos, and text have prompted increased need for larger and more robust data centers in the United States. Major companies interested in these larger data centers face the choice of linking them to existing regional grids, building stand-alone power supplies onsite, or a combination of both. The request, review, and approval process for new transmission lines to grids in the United States, however, has grown in recent years to times spans rivaling those of new construction for nuclear power plants. Building an islanded power supply for each data center is therefore becoming a prominent option. In this case study, several technologies are modeled in techno-economic simulations for long-term system costs subject to fixed electricity demand from a singular data center. A 250 MWe data center is assumed with additional 50 MWe for resiliency. Techno-economic simulations are conducted using the Holistic Energy Resource Optimization Network (HERON) software, which is a part of the Framework for Optimization of Resources and Economics (FORCE) tool suite. Technologies considered include solar, wind, lithium-ion batteries, and several types of nuclear reactors: large-scale reactors, small modular reactors, and microreactors. A low- and high-cost estimate for each technology is assumed to develop a range of expected economic performance. Low-cost estimates included several clean energy production tax credits. Different combinations of renewable energy generators with nuclear reactors are considered, ranging from a fully renewable-powered data center to a fully nuclear-powered data center. Historic time series of wind and solar availability from the Texas grid are used to train a reduced order model; this model then generates unique time series with similar characteristics of the training dataset. Multiple scenarios of weather and subsequent operations are simulated for each renewable-nuclear combination to determine total costs throughout the project lifetime. Fully renewable-powered configurations required large amounts of installed capacity (GW scale) in the simulations to meet the fixed demand of the data center. This is due to some scenarios in the historical dataset which captured low-wind and low-solar days, requiring over-building of these technologies as well as batteries to compensate for the low amounts of electricity generation. Fully nuclear-powered configurations outperformed the fully renewable and mixed renewable-nuclear configurations in terms of cost, with ranges between $1B and $10B in 2023 USDs compared to $40B+ for fully renewable configurations. Of the nuclear technologies, small modular reactors performed better economically than large-scale nuclear models due to lower projected capital costs, and both performed better than the microreactor models. These results demonstrate the applicability of firm, dispatchable electricity resources from baseload generators like nuclear power plants for operating facilities that run at constant power without daily variability.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Demonstration of a modeling toolkit for the design of building electrical distribution systems

The deployment of building equipment (e.g., lighting, security) and miscellaneous electrical loads that fundamentally require DC power for operation is increasing. Powering these DC loads has traditionally required an AC/DC converter, but the installation of photovoltaic (PV) and battery energy storage systems that primarily produce DC power eliminates the need for AC/DC converters at each end-device. However, analyzing system energy efficiency and cost for different electrical distribution architectures can be challenging as software tools that support this are not readily available. This paper presents preliminary results from a laboratory verification of the Building Electrical Efficiency Analysis Model (BEEAM) toolkit that was developed to address this gap. Three different eight-luminaire lighting systems comprised of market-available products were designed and modeled: one that used traditional AC distribution, a second that used a hybrid AC -to- centralized DC electrical distribution architecture, and a third that used a hybrid AC -to- distributed DC architecture. Notably, AC/DC conversions are required in all three systems. BEEAM models for LED drivers as well as Power-over-Ethernet (PoE) switches were created using laboratory characterization data. The lighting systems were simulated in Modelica, and the results were compared with each other and physics-based expectations. Simulation results show that PoE system energy efficiency is highly dependent on both device specification (e.g., LED driver and PoE switch efficiency) and system architecture (e.g., PoE switch loading) choices, as expected. For the products and system architectures selected for this study, the two DC systems were found to be less efficient than the AC system over the course of typical operation. In future work, simulation results will be compared with laboratory measurements to validate the usefulness of this software for design, and lighting systems with integrated PV and battery energy storage will be simulated to quantify the energy performance improvements that result from the elimination of some AC/DC converters.

Waghale, Anay S.↗

Employing MACS/ViBRANT as a Surrogate MARVEL Reactor for Startup Reactivity Tuning and Supervisory Control Processes

Advanced nuclear reactors are a key part of the future of nuclear energy both in the United States and globally. They offer unique benefits for various energy-demanding applications, including use in remote locations, compact size, modular manufacturing, remote monitoring, low and/or variable power rating operation, and reliance on novel technologies to enhance operational safety. To achieve economic feasibility, advanced reactors must significantly reduce their workforces in comparison with the current fleet. Achieving this reduction will occur through reducing staff workloads using technology to achieve autonomous or semi-autonomous operations, demonstrated by comprehensive testing and validation activities. These operations will require both software and hardware platforms during the design and testing phases. While simulations are useful during the design phase, their performance can significantly deviate during actual deployment on hardware. This report presents the outcomes of a collaborative technical initiative between the U.S. Department of Energy (DOE) Microreactor Program (MRP) and Advanced Sensors and Instrumentation (ASI) Program. The collaboration utilized the Microreactor Automated Control System (MACS) hardware platform to bridge the gap between theoretical reactor design and actual startup and control operations. Two key use cases were investigated: facilitating the startup testing period and demonstrating supervisory control. The first use case details the key Microreactor Applications Research Validation and Evaluation (MARVEL) reactor startup physics testing activities conducted using the MACS platform. These activities included drum worth measurements, shutdown margin assessment, temperature feedback analysis, and scram time evaluation, as well as unique testing that would apply to the MARVEL reactor to demonstrate the testing methodologies in a low-risk environment. The MACS platform, serving as a surrogate representation of the MARVEL reactor, proved instrumental in performing these tests. The exercise revealed aspects that led to optimized processes, refined hardware design, and enhanced base software capabilities. By maturing methods and technologies in this manner, the initiative promises to reduce wasted time in the actual on-site reactor deployment effort, thereby saving significant time and resources. The second use case focuses on the development and implementation of supervisory control methods aimed at managing core tilt, which can result from asymmetrical operations or manufacturing imperfections in fuel rods or reactivity control devices. A key objective was to assess and compare the use of artificial intelligence (AI) for supervisory control. The effort aimed to define the role of supervisory control to enhance performance without risking control instability. This effort explored three distinct approaches: rules-based (RB) methods, optimization techniques, and reinforcement learning (RL) algorithms. Each approach was evaluated for its ease of implementation, its usability, and its effectiveness in responding to asymmetries in neutron flux. Comparative analysis of these approaches provided valuable insights into their applicability and effectiveness, offering a robust framework for advanced reactor operations. Together, these two use cases highlight the potential of hardware test beds to help streamline the design, operation, and control of advanced nuclear reactors. This collaborative effort underscores the importance of continued innovation and experimentation in achieving the next generation of safe, reliable, and economically viable nuclear energy solutions.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

ExaWorks software development kit: a robust and scalable collection of interoperable workflows technologies

Scientific discovery increasingly requires executing heterogeneous scientific workflows on high-performance computing (HPC) platforms. Heterogeneous workflows contain different types of tasks (e.g., simulation, analysis, and learning) that need to be mapped, scheduled, and launched on different computing. That requires a software stack that enables users to code their workflows and automate resource management and workflow execution. Currently, there are many workflow technologies with diverse levels of robustness and capabilities, and users face difficult choices of software that can effectively and efficiently support their use cases on HPC machines, especially when considering the latest exascale platforms. We contributed to addressing this issue by developing the ExaWorks Software Development Kit (SDK). The SDK is a curated collection of workflow technologies engineered following current best practices and specifically designed to work on HPC platforms. We present our experience with (1) curating those technologies, (2) integrating them to provide users with new capabilities, (3) developing a continuous integration platform to test the SDK on DOE HPC platforms, (4) designing a dashboard to publish the results of those tests, and (5) devising an innovative documentation platform to help users to use those technologies. Our experience details the requirements and the best practices needed to curate workflow technologies, and it also serves as a blueprint for the capabilities and services that DOE will have to offer to support a variety of scientific heterogeneous workflows on the newly available exascale HPC platforms.

97 MATHEMATICS AND COMPUTING↗

Final Report for ARPA-E LOCOMOTIVES Advanced Locomotive Technology and Rail Infrastructure Optimization System (ALTRIOS) Project

The Advanced Locomotive Technology and Rail Infrastructure Optimization System (ALTRIOS) is a unique, fully integrated, open-source software tool used to evaluate strategies for cost-effectively deploying advanced locomotive technologies and associated infrastructure. ALTRIOS simulates freight-demand-driven train scheduling, mainline meet-pass planning, locomotive dynamics, train dynamics, energy conversion efficiencies, and energy storage dynamics of line-haul train operations. Because new locomotives represent a significant long-term capital investment and new technologies must be thoroughly demonstrated before deployment, this tool provides guidance on the risk/reward trade-offs and operation integration of different technology rollout strategies. An open, integrated simulation tool is valuable for identifying future research needs and making decisions on technology development, routes, and train selection. This final report details the ALTRIOS software architecture, major modules and components, and data validation process. It demonstrates the software's utility through a 30-year rollout case study targeting high penetration of advanced powertrain technologies by 2050 for two BNSF Railway routes: loaded taconite ore trains from Hibbing, Minnesota, to Superior, Wisconsin, and mixed-freight trains from Superior to Minneapolis, Minnesota.

33 ADVANCED PROPULSION SYSTEMS↗

3D Reality Energy Modeling Software

The team will combine Bentley Systems’ ContextCapture and extend Oak Ridge National Laboratory’s building energy modeling capabilities in order to create digital twins of buildings that allow simulation-informed improvement for energy efficiency and demand response in the design and operation of the built environment. Bentley Systems’ ContextCapture software processes data from 3D laser scanning and photographs (through photogrammetry) to create a photorealistic, 3D mesh with a scale of individual objects to building to city-sized. This capability easily provides city-level visualization models and platforms where sustainable design alternatives are readily evaluated. Oak Ridge National Laboratory (ORNL) serves the U.S. Dept. of Energy (DOE) as one of three core laboratories developing building energy modeling tools EnergyPlus and OpenStudio. ORNL’s AutoBEM software (bit.ly/AutoBEM) can process imagery (satellite, aerial, and street level), LiDAR, cartographic layers, tax assessor’s data, and other data sources to extract building footprints, height, window-to-wall ratio, building type, vintage, and other building properties. AutoBEM has created 178,368 building energy models that were empirically validated with 15-minute whole-building electrical data from a utility.

97 MATHEMATICS AND COMPUTING↗

CFD Simulation of Biomass Pyrolysis Vapor Upgrading over a Pt/TiO 2 Catalyst in Fixed and Moving Beds

This report presents a comprehensive computational fluid dynamics (CFD) study of the biomass pyrolysis vapor phase upgrading and the catalyst regeneration in different reactors under various operational conditions. This study used the open-source software Multiphase Flow with Interphase eXchanges (MFiX), developed at National Energy Technology Laboratory (NETL) for simulating hydrodynamics, heat transfer, and chemical reactions in multiphase systems. This simulation solved the conservation of mass, momentum, energy, species for gas and solid phases with chemical reactions.

09 BIOMASS FUELS↗