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At least 487 records · Page 27

All sources NASA NTRS DOE OSTI

DOE OSTI2024

Near-net shaping of high-density, complex, spatially-tailored ceramics for extreme environments

The purpose of this subcontract is for LLNL to collaborate with the Subcontractor (UCSB) in the areas of binder jet additive manufacturing (BJAM), hot pressing (HP), finite element modeling (FEM), and multi-material sintering studies. LLNL wants to further develop its hot pressing, AM, and modeling capabilities through LLNL’s Early Career Faculty Program. This work will focus on developing a method to hot press complex-shaped ceramic parts through the co-deposition of a structural/functional ceramic and sacrificial mold material in one assembly via multi-material binder jet printing. The method aims to produce dense, near-net shaped parts with applications relevant to a wide variety of fields including aerospace, defense, and energy.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Viscoelastic Modeling of Polymers in ALEGRA with the GAP Model

The Glassy Amorphous Polymer (GAP) model is a viscoelastic/plastic model developed at Los Alamos National Laboratory to accurately model a variety of polymers across a wide range of conditions and loading rates, including shock loading. In the present report we introduce and assess this model, newly implemented in the ALEGRA shock and multiphysics code, using a series of verification and application-related validation problems. We describe the mathematical and theoretical formulation of the model, as well as its implementation in ALEGRA, in detail. We provide verification results that assess the model implementation against published computational results, as well as validation results which we compare to existing experimental results when possible. These comparisons instill confidence in the implementation and indicate that the addition of the GAP model to the ALEGRA code provides users with a high-fidelity polymer modeling capability that is capable of recreating complex polymer phenomena.

36 MATERIALS SCIENCE↗

DOE OSTI2024

A hybrid-kinetic simulation tool for non-thermal warm x-ray z-pinch sources, with gas-puff and wire array exemplars

Increasing the fluence of z-pinch x-ray radiation sources above ∼ 10 keV has been a long-standing goal for scientists at Sandia National Laboratories’ Z Machine. Optimizing sources for non-thermal “cold Kα” emission in higher atomic-number materials appears to be a promising path to increase warm x-ray yield. However, this emission is generated by supra-thermal electrons, which are not treated in the magnetohydrodynamic (MHD) codes that are typically used in z-pinch source development. MHD codes do not allow for charge separation or space-charge-generated electric fields, and constrain particle kinematics to Maxwellian distributions. The kinetic codes which do accommodate discrete, non-thermal energy distributions are computationally prohibitive when modeling plasmas near solid density and when modeling/tracking higher ionization states. Thus, modeling non-thermal z-pinch sources requires a new simulation tool. In this report, we present a new hybrid modeling capability that uses the fast features of MHD-type particles to the greatest extent possible, then transitions to the slower but more complete kinetic particle treatment to correctly capture the particle energy spectra that generate non-thermal emission. This capability is founded on the fully-relativistic particle-in-cell code Chicago, which already includes fluid particle treatments. The governing equations and hybrid methodology presented here are applied in simulations of an argon gas-puff and a molybdenum wire-array to provide preliminary code validation. The argon simulation is compared to measured implosion times and yields from Jones et al., Phys. Plasmas 22, 020706 (2015). The simulated x-ray yield is within 25% of measurements and the implosion times agree within a few percent. The molybdenum wire array simulation captures the implosion timing reported in Hansen et al., Phys. Plasmas 21, 031202 (2014), but work is needed to verify the available EOS table. These exemplar simulations represents the type of non-thermal sources that will be developed using the hybrid code capability going forward.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

TiltEM User Manual

The ability to automate the scanning transmission electron microscope (S/TEM) is tantamount to addressing next generation artificial intelligence, machine learning, and materials modeling capabilities. Constant utilization of these high-end capital equipment purchases also serves the requirements of the Department of Energy (DOE) to be fiscally responsible to the public. The development of an automated multi-modal tilt series algorithm for dark field/bright field S/TEM imaging plus chemical identification with energy dispersive x-ray spectroscopy has been achieved at PNNL. A tilt series workflow has now been generated which allows for autonomous collection of imaging and compositional information simultaneously. This advancement is due in large part to a transition from the rigid and microscope specific JEOL hardware environment, to the more adaptable GMS environment. This has thereby led to a greater degree of flexibility in the application of this method across platforms in addition to substantial time savings to the user.

47 OTHER INSTRUMENTATION↗

DOE OSTI2024

U.S. Domestic Molten Salt Reactor: Security-by-Design

U.S. nuclear power facilities face increasing challenges in meeting dynamic security requirements caused by evolving and expanding threats while keeping costs reasonable to make nuclear energy competitive. The past approach has often included implementing security features after a facility has been designed and without attention to optimization, which can lead to cost overruns. Incorporating security in the design process can provide robust, economical, and effective physical protection systems (PPS). The purpose of this work is both to develop a framework for the integration of security into the design phase of a molten salt reactor (MSR) and show how to effectively design a PPS with a reduced staffing headcount. Specifically, this work focuses on integrating PPS design features into a developed facility layout by making minor modifications to building structures. A suite of tools, including Scribe3D©, PathTrace©, and Blender©, were used to model a hypothetical, generic domestic MSR facility. Physical protection elements such as sensors, cameras, barriers, and responders were added into the model based on defending the hypothetical MSR facility against a hypothetical design basis threat (DBT). Multiple outsider sabotage scenarios were examined, with adversary team sizes ranging from 4–8 to determine security system effectiveness. The results of this work will influence PPS designs and facility designs for U.S. domestic MSRs. This work will also demonstrate how a series of experimental and modeling capabilities across the Department of Energy (DOE) complex can impact the design and completion of security-by-design (SeBD) for small modular reactors (SMRs). The conclusions and recommendations in this document may be applicable to all SMR designs.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2023

Demonstration of low-density, high-performance operation of sustained spheromaks and favorable scalability toward compact, low-cost fusion power plants (Final Scientific/Technical Report)

This project worked to advance the technical viability of a novel method for efficiently sustaining stable, high-performance spheromak plasma configurations to serve as the basis of compact, low-cost fusion power plants. In particular, our group worked to improve the method of Steady Inductive Helicity Injection (SIHI) with Imposed-Dynamo Current Drive (IDCD) for spheromak plasma sustainment. Prior to this project demonstrations of this plasma sustainment technology have achieved plasma performance consistent with entry milestone 3 of the BETHE FOA. Research and development (R&D) activities for this project were focused on increasing plasma performance toward a level consistent with exit milestone 4. To do this the PI and his group worked to increase the performance of sustained spheromaks produced in an existing experimental prototype (HIT-SIU) while improving confidence in projections to and design of future, higher performance devices through three primary R&D activities: 1) Improved control over the density of plasma in the device throughout a discharge to provide a pathway for demonstration of spheromaks Ohmically heating to the Mercier beta limit via: a. Fueling the device directly with plasma through the installation of pre-ionized source on the injectors b. Optimization of electrical current waveforms in the driver circuits to enable low-density plasma formation with a lower fueling rate 2) Computational demonstration of a validated, realistic injector circuit coupled to a dynamic plasma model capable of use as a design tool for SIHI drivers and associated circuits for new experimental design points on the pathway to commercial reactors. The improvements in plasma performance achieved during research activity 1), and the computational projections performed in research activity 2) increased the technological readiness level (TRL) of this fusion energy concept toward a level sufficient to attract early-stage private investment and/or other forms of follow-on investment to pursue required R&D activities required for the eventual fusion power plants based on this novel technical approach.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

UNR Grant Proposal Contribution

The work of Carrier et. al. (citation needed for Matt’s effect of surface roughness on phase transitions/ETI paper) demonstrates that 1D and 2D resistive magnetohydrodynamic (MHD) simulations can reliably model exploding aluminum rods driven by megaampere currents. Close agreement between simulation results and photonic Doppler velocimetry data from the Mykonos electrothermal instability (METI-II) campaign builds confidence in predictive modelling capabilities for pulsed-power HED experiments. Furthermore, 2D MHD simulations show how machined features and micro-scale surface roughness can seed the electrothermal instability (ETI). Surface roughness was observed to reduce the time of melt by 19%, with ETI growth driving the enhanced heating of the rod surface.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Connecting In Situ Stress and Wellbore Deviation to Near-Well Fracture Complexity Using Phase-Field Simulations

The interactions among in situ stress, rock fabric, wellbore geometry, natural fractures, and other natural or man-made defects create highly complex fracture trajectories in the near-wellbore region, far more intricate than those in the far-field. These near-wellbore complexities are critical for the Utah FORGE project and Enhanced Geothermal Systems (EGS) in general. Frictional pressure loss in the near-wellbore region during stimulation can significantly influence the growth of far-field fractures, while pressure losses during circulation serve as a major source of energy dissipation. Near-wellbore fracture complexities are often observable through image logs, offering valuable insights into in situ stress characteristics. However, leveraging this information requires a high-fidelity model capable of capturing the interplay among the diverse factors influencing fracture behavior.

58 GEOSCIENCES↗

DOE OSTI2025

Library of Advanced Materials for Engineering (LAMÉ) (V.5.24)

Accurate and efficient constitutive modeling remains a cornerstone issue for solid mechanics analysis. Over the years, the LAMÉ advanced material model library has grown to address this challenge by implementing models capable of describing material systems spanning soft polymers to stiff ceramics including both isotropic and anisotropic responses. Inelastic behaviors including (visco)plasticity, damage, and fracture have all incorporated for use in various analyses. This multitude of options an

36 MATERIALS SCIENCE↗

DOE OSTI2022

Development of a MOOSE thermal model of the MPC-32 canister and HI-STORM overpack

Nuclear power is a significant source of electricity in the United States, but the average age of nuclear power plants is around 40 years old. The safe management of the spent nuclear fuel (SNF) is a key aspect of the back-end of the nuclear fuel cycle. Spent fuel dry storage systems are becoming a popular and effective solution in this area, given the absence of a final disposal system. The spent fuel cask system (dry cask method) provides a feasible solution to maintain spent fuel for 60 years before final disposal. Dry cask storage has many characteristics that make it attractive. It fulfills the safety requirements of the Nuclear Regulatory Commission (NRC) while providing modularity and flexibility to contractors. The HI-STORM overpack and MPC-32 canister are the main parts of the HI-STORM 100 dry cask storage system. These components remove heat from the system using natural circulation, requiring no human intervention. This is the characteristic that provides passive heat removal and low maintenance features in dry cask storage systems. To develop a thermal model for a dry cask storage system, the physics behind the system should be defined clearly. There are two natural circulation loops in the system; circulation of helium cools down the nuclear assemblies in the MPC, while circulation of air cools down the walls of the MPC. This work aims to develop a thermal model of the MPC-32 canister and HI-STORM overpack using the Multiphysics Object-Oriented Simulation Environment (MOOSE). MOOSE is an open-source framework developed by Idaho National Laboratory (INL) for multiscale, multiphysics simulations. In this study, we will investigate and demonstrate the thermal-hydraulics modeling capabilities of the MOOSE framework, including natural circulation, heat transfer, and porous flow.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

Combined Creep and Fatigue Modeling

Simultaneous consideration of creep and fatigue is of paramount importance to accurately predict component life in many industrial applications. For example, growing penetration of renewable energy onto the grid is forcing many power plants to transition from base-load power generation to more complex operation modes, characterized by a combination of base-load generation and frequent start-up and shut-down cycles. The frequent start-stop of power plants is causing a significant toll in the component life due to fatigue. As such, creep alone is not adequate anymore to predict the component life. Most existing life prediction models consider creep or fatigue independently while neglect their interactions. In this presentation, we talk about some recent efforts at NETL to develop a unified modeling framework where both creep and fatigue can be considered. The creep-fatigue interaction mechanism is studied. High-throughput simulations are performed under various hold stress and hold time, and analytical expressions are fitted for the crack growth rates under creep and/or fatigue conditions demonstrating some applications of this newly developed modeling capability.

advanced alloy development↗

DOE OSTI2025

Modularization of Small Modular Reactor Facilities: Physical Protection Recommendations

U.S. nuclear power facilities face increasing challenges in meeting dynamic security requirements caused by evolving and expanding threats while keeping costs reasonable to make nuclear energy competitive. In consideration of the economic viability of small modular reactor (SMR) facilities, many designers and utilities are considering a modular approach to the construction and operation of these facilities. This modular approach considers building and operating a first unit; once the first reactor is in operation, construction will begin on a second reactor. This process would allow the vendor or utility to ensure production of energy and financial income while the second reactor is under construction. This project evaluates the feasibility of modular construction in terms of physical protection and identifies several recommendations for vendors and utilities considering this approach. To conduct this evaluation, a hypothetical three-unit SMR facility was developed, a physical protection system (PPS) was considered for the design, and a hypothetical design basis threat (DBT) was used to evaluate this PPS. Multiple outsider sabotage scenarios were examined, with adversary team sizes ranging from 4-to-8 to determine security system effectiveness. The results of this work will influence PPS designs and facility designs for U.S. domestic SMRs. This work will also demonstrate how a series of experimental and modeling capabilities across the Department of Energy (DOE) complex can impact the design and completion of security-by-design (SeBD) for SMRs considering modular construction. The conclusions and recommendations in this document may be applicable to all SMR designs.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

Unraveling fundamental mechanisms of silicon nitride crystallization in microelectronics manufacturing

This research project investigates the fundamental mechanisms of silicon nitride (SiN) crystallization, aiming to enhance the understanding of this critical material in microelectronics manufacturing. Through a collaborative effort between Sandia National Laboratories, the University of Tennessee, and the University of Florida, we developed a comprehensive framework that integrates experimental techniques, atomistic modeling, meso-scale simulations, and an integrated multi-scale model to capture this physical phenomenon on multiple time and length scales . The project developed a new machine learning based atomistic potential and utilized advanced phase field modeling to capture the complexities of polycrystalline growth and the influence of mechanical stresses on crystallization dynamics. By employing a grain tracker algorithm, the meso-scale model effectively identified and tracked individual crystal grains, enabling the simulation of anisotropic growth behaviors reflective of SiN’s physical properties. The integration of atomistic simulations with meso-scale modeling created a powerful multi-scale framework that validated atomistic inputs and enhanced predictive accuracy for crystallization dynamics at larger scales, validated experimentally. This adaptable modeling capability not only accelerates development times by informing manufacturing processes but also serves as a valuable starting point for understanding crystallization physics in similar materials. The insights gained from this research unlock new opportunities for the development of advanced materials tailored for future microelectronics and photonics applications. Overall, this project represents a significant advancement in understanding of fundamental physics of SiN and establishes a foundation for future research in material science, bridging the gap between atomic-level phenomena and macroscopic material behaviors for practical applications.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Probability Density Function for the spatial and intensity distribution of neutron-induced defects in Silicon

The ability to model semiconductor device degradation under neutron irradiation depends upon having a robust modeling capability for the neutron-induced collision cascades as well as a means to analytically fit the resulting probability distributions of defect production and ionizing energy deposition for purposes of extrapolation to low-probability, high-consequence scenarios. In this paper, the widely-utilized binary collision approximation codes MARLOWE and SRIM are deployed in conjunction with a critical examination of their parameterizations as benchmarked against higher-fidelity molecular dynamics simulations. A simple 3-parameter form described by the Generalized Logistic Distribution is shown to be a good fit to Frenkel pair and ionization intensity distributions in bulk silicon. The BCA codes are then applied to simulate cascades in 5 nm layers of a representative gate-all-around nanosheet transistor, where joint probability distributions of threshold levels of damage to multiple layers are evaluated.

36 MATERIALS SCIENCE↗

DOE OSTI2025

SCALE Analyses of Scenarios in the TRISO-based Heat Pipe Microreactor Fuel Cycle

This report documents the application of the SCALE code to the analysis of a TRistructural-ISOtropic (TRISO)-based heat pipe microreactor (HPMR) within the context of its nuclear fuel cycle stages. The evaluation was conducted in support of the US Nuclear Regulatory Commission’s ongoing efforts to assess modeling capabilities for advanced non–light-water reactor technologies. The generic HPMR selected as a representative microreactor concept features a compact core design that incorporates TRISO fuel compacts, passive heat removal via heat pipes, and a transportable configuration intended for deployment in remote environments.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2026

Southern Company Services: Project 2: Tall Tower Wind Technical Potential for the Southeast (Modifications 4, 5), Project 4: Offshore Wind Potential for Southern Company Services (Modifications 7, 8)

Project 2: The National Laboratory of the Rockies (NLR) and Southern Company Services (SCS) seek to establish an agreement to assess the technical potential for wind energy in the Southeastern U.S. SCS has requested that NLR conduct a detailed assessment of system performance, available capacity, transmission distance, and levelized cost of electricity (LCOE) at turbine hub heights of 100m to 160m within the SCS service territory. NLR will also provide an assessment of utility photovoltaic (PV) technical potential within the SCS service territory. NLR has unique modeling capabilities to assist SCS with high spatial and temporal resolution assessment of wind and PV technical potential, considering geospatial constraints. Project 4: NLR and SCS seek to develop a spatially explicit techno-economic assessment for offshore wind energy in the Southeastern U.S. The analysis aims to characterize the regional sensitivities of offshore wind plant costs and performance, underwater cabling, potential siting constraints, and landfall spur transmission costs.

17 WIND ENERGY↗

DOE OSTI2023

HPC-Enabled Optimization of High Temperature Heat Exchangers (CRADA Final Report)

This project was a collaborative effort between Lawrence Livermore National Security, LLC (LLNS) as manager and operator of Lawrence Livermore National Laboratory (LLNL) and Materials Sciences, LLC, to develop a technology for design and optimization of heat exchangers using powerful desktop and laptop computers. The project was originally designated as a 12-month project, and consisted of 3# major tasks and the following 8# major deliverables: 1) CFD models of 3D heat exchangers based on existing and new geometry. 2) Validation against experimental data provided by MSC and published in the literature. 3) CFD models of 3D unit cells based on TPMS. 4) Surrogate models capable of delivering the gradients of the homogenized properties with respect to the parametrization. 5) 3D design methodology using TO algorithms. 6) Conventional reference and topology optimized designs. 7) 3D optimized designs stored in a 3D printer build format. 8) Verification of the improved performance. All of the deliverables for this project were successfully completed with two no-cost time extensions.

36 MATERIALS SCIENCE↗

DOE OSTI2026

HPC-Enabled Optimization of High Temperature Heat Exchangers (CRADA Final Report)

13 HYDRO ENERGY↗