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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 73 records · Page 4

Truchas Overview

Truchas and Truchas-PBF are two sister codes for part-scale multi-physics modeling of manufacturing processes. Both programs are open source and made publicly available. They’re designed for efficient use of HPC resources and can be programmatically driven from Python packages. This enables automatic execution and analysis of ensembles of simulations, in some cases allowing 1000s of simulations to be evaluated in a day on HPC. Beyond just giving engineers a window into the concealed internal state of a system, the goal of Truchas is to provide a framework for developing novel manufacturing processes by understanding how the entire space of engineering inputs affects thermal state. It often is used to explore combinations of capabilities uncommon in commercial software, or to scale up analyses beyond the capabilities of commercial software.

97 MATHEMATICS AND COMPUTING↗

Parallel Programming in MCNP6

Monte Carlo N-Particle (MCNP)1 is a general-purpose Monte Carlo particle transport code developed by Los Alamos National Laboratory (LANL). To efficiently handle long simulations, MCNP version 6 (MCNP6) supports parallel execution using two primary programming models: • Shared-memory task-based threading using OpenMP (Open Multi-Processing), and • Distributed-memory calculations using MPI (Message Passing Interface). The OpenMP and MPI programming models enable MCNP6 to scale from desktop systems to high-performance computing (HPC) clusters, allowing users to run MCNP in one of three parallel modes: • OpenMP-only, • MPI-only, and • Hybrid (MPI + OpenMP). The choice of parallelization mode depends on the underlying computer architecture and the characteristics of the simulation problem.

97 MATHEMATICS AND COMPUTING↗

Solar Pathways in Federal Energy Assistance Programs: Expanding Low Income Home Energy Assistance Program (LIHEAP) and Weatherization Assistance Program (WAP)

How can solar best fit within your LIHEAP or WAP activities? Come join NREL and learn about the various pathways and new resources available to help implement solar in low-income programs. Panelists will share results from a multi-year research project, including survey results on LIHEAP and WAP solar adoption across the United States. This session will highlight case studies from early implementers, key lessons learned and resources developed based on stakeholder feedback for interested organizations. Attendees can expect gain a better understanding of the perceived barriers and opportunities to solar implementation, including the importance of partner coordination and complementary funding sources, and the next steps for how to get started. Additionally, attendees will hear from a local implementer of solar in WAP about their program and process.

Colorado↗

Multi-GPU porting of a phase-change cascaded lattice Boltzmann method for three-dimensional pool boiling simulations

The Lattice Boltzmann method (LBM) has proven effective in simulating phase-change phenomena, such as melting, solidification, evaporation, and boiling. In this work, we develop a highly parallelized multi-GPU implementation of LBM for three-dimensional pool boiling simulations. The code is based on the OpenACC programming model, which enables the code to be deployed efficiently on multi-core CPUs, GPUs, and potentially other accelerators, without the need for architecture-specific rewrites. To support large-scale simulations, the domain is decomposed and distributed across multiple compute nodes using MPI. We demonstrate that the code exhibits excellent scaling properties, with ideal strong-scaling running with up to 256 GPUs on the MareNostrum5 cluster.

97 MATHEMATICS AND COMPUTING↗

R&D Program for HEP High-Power Targets at Fermilab

A high-power target system is a key beam element to complete future High Energy Physics (HEP) experiments. In the recent past, major accelerator facilities have been limited in beam power not by their accelerators, but by the beam intercepting device survivability. The target must then endure high power pulsed beam, leading to high cycle thermal stresses/pressures and thermal shocks. The increased beam power will also create significant challenges such as corrosion and radiation damage that can cause harmful effects on the material and degrade their mechanical and thermal properties during irradiation. This can eventually lead to the failure of the material and drastically reduce the lifetime of targets and beam intercepting devices. In order to operate reliable beam-intercepting devices in the framework of energy and intensity increase projects of the future, it is essential to develop a strong R&D program and have synergy with various expertise. After presenting the high power targetry challenges facing next generation multi-MW accelerators, we will give an overview of Fermilab’s R&D program in support of High Power Targetry development. The RaDIATE collaboration (Radiation Damage In Accelerator Target Environment), managed by Fermilab, also draws on existing expertise in related fields to execute a coordinated strategy for high power targetry R&D between the 14 international member institutions.

Pellemoine, Frederique [Fermilab]↗

Search for muon neutrino disappearance with multi-topologically splitted Inclusive events at SBN

The Short-Baseline Neutrino (SBN) program at Fermilab searches for signatures of sterile neutrinos with mass-squared splittings at the O(1) eV2 scale, motivated by anomalies previously reported by the LSND and MiniBooNE experiments. We present a search for such signatures using the muon neutrino disappearance channel. This analysis exploits the large statistics of fully inclusive charged-current interactions collected by the SBND and ICARUS detectors to maximize sensitivity. The inclusive samples in both detectors are further subdivided into multiple exclusive topological channels, a strategy designed to enhance sensitivity by isolating differences in interaction-mode composition and reconstructed energy response. This multi-topology approach represents a novel analysis technique within SBN, enabling improved constraints on systematic uncertainties arising from neutrino flux, interaction modeling, and detector response. We will present comparisons of data with detailed predictions incorporating a comprehensive treatment of systematic uncertainties and constraints on the systematics obtained by the multi-topology method.

Yadav, Shweta [Texas U., Arlington]↗

xesn: Echo state networks powered by Xarray and Dask

Xesn is a Python package that allows scientists to easily design Echo State Networks (ESNs) for forecasting problems. ESNs are a Recurrent Neural Network architecture introduced by Jaeger (2001) that are part of a class of techniques termed Reservoir Computing. One defining characteristic of these techniques is that all internal weights are determined by a handful of global, scalar parameters, thereby avoiding problems during backpropagation and reducing training time significantly. Because this architecture is conceptually simple, many scientists implement ESNs from scratch, leading to questions about computational performance. Xesn offers a straightforward, standard implementation of ESNs that operates efficiently on CPU and GPU hardware. The package leverages optimization tools to automate the parameter selection process, so that scientists can reduce the time finding a good architecture and focus on using ESNs for their domain application. Importantly, the package flexibly handles forecasting tasks for out-of-core, multi-dimensional datasets, eliminating the need to write parallel programming code. Xesn was initially developed to handle the problem of forecasting weather dynamics, and so it integrates naturally with Python packages that have become familiar to weather and climate scientists such as Xarray (Hoyer & Hamman, 2017). However, the software is ultimately general enough to be utilized in other domains where ESNs have been useful, such as in signal processing (Jaeger & Haas, 2004).

97 MATHEMATICS AND COMPUTING↗

Charpy Impact Characterization of Surveillance Specimens Harvested from Palisades High Fluence A-60 Capsule

Located on the shores of Lake Michigan, the Palisades Nuclear Generating Station (PNGS) was a nuclear power plant that operated in Covert Township, Michigan. The plant had a single pressurized water reactor that produced electricity for the region. The PNGS was shut down in 2022 after more than four decades of service. The PNGS included in its surveillance program a surveillance capsule, designated A-60, containing specimens of a weld metal with nickel content of about 1.36 wt% and copper content of about 0.25 wt%. The capsule was removed from its surveillance position in early 1995 and has been resident in the spent fuel pool since that time. This capsule was irradiated to a fluence of 1.96×10 20 n/cm 2 (E>1MeV) that is equivalent for more than 150 effective full power years (EFPYs) for the US reactor pressure vessel (RPV) fleet. The material is also of special interest because of its very high nickel content and potential for development of NiMnSi (nickel-manganese-silicon) precipitates. Combination of very high fluence and very high Ni and Cu content makes the material in this capsule of great interest as benchmark for currently developing embrittlement trend curves (ETC) aiming to predict embrittlement at high fluences. Multi-year efforts by the Light Water Reactor Sustainability (LWRS) Program personnel from the Materials Research Pathway (MRP) to harvest this capsule finally succeeded in 2023. As a result, the Westinghouse Electric Company (WEC) through contract with Oak Ridge National Laboratory (ORNL) came to PNGS site, retrieved the A-60 capsule, brought it to WEC Churchill hot cell facility, opened the capsule and sent all surveillance specimens in the capsule to ORNL for future characterization by July 2023. Total of 9 tensile and 48 Charpy specimens were inventoried in the ORNL hot cells. Testing plan has been developed based on available specimens. It includes hardness, tensile, Charpy impact, Mini-CT fracture toughness testing, in-situ thermal annealing, and microstructural characterization, including Atom Probe Tomography (APT). Charpy impact testing has been completed and results are presented in this report. Moreover, negotiations with Pressurized Water Reactors Owners Group (PWROG) and Westinghouse resulted in Westinghouse donating to ORNL a piece of archive weld and base metal such that unirradiated characterization of these materials can be performed as part of this project. Comparison of measured hardening and embrittlement has been performed and data are compared to available large database.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Paired Hydro-Battery Hybrid System Operations Using MIQP Based Multi-Objective Optimization

Hybridizing a hydropower plant with a battery energy storage system is often a very expensive decision. So to make the case for feasibility of hybridization the cost benefit analysis must be comprehensive. Most literature found on this subject only uses one out of many different available value streams to carry out a feasibility analysis. To that end, in this study we propose a multi-objective optimization formulation and a mixed-integer quadratic programming optimization engine that considers multiple different value streams and optimizes hydro-battery hybrid system paired operations to maximize revenue generated from energy arbitrage while simultaneously minimizing the total hydro turbine mileage thus reducing turbine starts and stops and improving turbines life all while following all environmental constraints and not violating any limitations either regulatory or preferential (i.e., to support recreational activities like white water rafting, etc.). In this study we also implemented the developed optimization methodology to a real-world case study of Bagnell dam hydropower facility (8 units totaling 240 MW rated power capacity) which is owned and operated by our industry partner Ameren Energy Inc. The case study outcomes shows that by hybridizing the Bagnell dam hydropower facility with a 60 MW x 2-hr battery energy storage system, the annual benefits can be increased over \$6 million while reducing the annual mileage averaged per turbine and number of start/stops by over 98\% and 85\% respectively.

Chalishazar, Vishvas H.↗

Coupled Neutronics - Thermal-Hydraulics - Thermomechanics modeling of Molten Chloride Reactor

Molten Salt Reactors (MSRs) are innovative Generation-IV nuclear reactors known for their enhanced safety features, fuel economy, and fuel cycle advancements. However, designing and studying these reactors present unique safety and modeling challenges. The Department of Energy (DOE)'s Nuclear Energy Advanced Modeling and Simulation program addresses these challenges through the development of flexible multi-fidelity, multiphysics simulation tools. This study exemplifies NEAMS tools' capabilities by modeling a chloride-based micro-MSR: Griffin for neutronics simulations, Pronghorn for thermal-hydraulics simulations, and BISON for thermomechanics simulations. These tools are integrated into a comprehensive 3D multiphysics model, successfully capturing steady-state and transient reactor operations. A loss of flow accident is examined as an illustrative example of transient behavior. Additionally, this paper contributes to demonstrating the theoretical feasibility of micro-MSR concepts, which have received less attention compared to other designs. The subsequent sections provide a brief description of the MSR concept studied, an overview of the computational tools used, and present results for both steady-state operation and a loss of flow accident.

42 - ENGINEERING↗

LDRD 2024 Annual Report: Laboratory Directed Research and Development Program Activities

One fundamental question underlying all living organisms is the need to understand their hierarchical organizations and physical changes with the necessary spatial and temporal resolutions under physiological or pathological conditions. This is a multi-scale challenge requiring imaging from sub-nanometers to micrometers in a cellular context. While individual imaging techniques are available, there is a critical need to integrate them into a workflow capability. Our objective is to develop an integrated multi-disciplinary and multi-scale bioimaging capability at Brookhaven National Laboratory (BNL). The capability expands BNL’s existing facility operation program in bioimaging and positions BNL in a leadership position in bioimaging research. The capability also addresses the grand challenges of the Department of Energy (DOE) science programs for national bioenergy sustainability and security.

99 GENERAL AND MISCELLANEOUS↗

Quantum simulation of charge and exciton transfer in multi-mode models using engineered reservoirs

Quantum simulation enables studies of open-system dynamics in non-perturbative regimes by programming electronic, vibrational, and environmental interactions on comparable energy scales. Trapped ions offer this capability, combining spins, phonons, and tunable dissipation on one platform. We demonstrate an open-system quantum simulation of charge and exciton transfer in a multi-mode linear vibronic coupling model. Using tailored spin-phonon interactions with reservoir engineering, we emulate a system with two dissipative vibrational modes coupled to donor and acceptor sites and track its non-equilibrium dynamics. We continuously tune the system from the charge transfer regime to the vibrationally assisted exciton transfer regime and find that degenerate modes enhance transfer rates at large energy gaps, while non-degenerate modes activate pathways that reduce the energy-gap dependence. Thus, the presence of one additional vibration introduces interfering pathways and reshapes non-perturbative excitation transfer. Our results establish a scalable, hardware-efficient route to simulate vibronic processes with engineered environments.

74 ATOMIC AND MOLECULAR PHYSICS↗

Multi-trait multi-environment genomic prediction strategies for Miscanthus sacchariflorus

Genomic selection holds the potential to serve as a strategic tool to enhance the genetic gain of complex traits in Miscanthus breeding programs. The development of improved cultivars requires their assessment for various traits across diverse environments to ensure suitable overall performance. Hence, the multi-trait multi-environment (MTME) genomic prediction (GP) models offer an opportunity to improve selection accuracy. This study aims to evaluate the potential of five GP models: (1) three MTME models including genotype-by-trait-by-environment interaction (G×E×T) and (2) two single-trait multi-environment (STME) models (with and without G×E interaction). A Miscanthus sacchariflorus population comprising 336 genotypes evaluated in three environments and scored for four traits (biomass yield YDY, total culm number TCM, average internode length AIL, and culm node number CNN) was analyzed. The predictive ability of the models was evaluated considering three cross-validation schemes resembling realistic scenarios (CV1: predicting new genotypes, CVP: predicting missing traits in a given environment, and CV2: predicting partially observed genotypes). On average, in all cross-validation schemes compared to the STME the predictive ability of the MTME models was 10% to 70% higher for TCM and AIL. On the other hand, for YDY and CNN, both STME models performed similarly or slightly better (between 5 to 64%) than the MTME models in most environments. While the MTME models were not successful for all traits when compared to their STME counterparts, MTME models improved the prediction of the performance of genotypes that were untested across environments or lacked trait information in a specific environment. Overall, our study suggests that MTME GP models can be implemented in Miscanthus breeding programs to improve the predictive ability of the complex traits, shorten breeding cycles, and accelerate selection decisions.

genomic prediction (GP)↗

Q-Fibre Quarterly Performance Progress Report

The project titled Quantitative Strain Monitoring for Well and Seal Integrity through Wellbore Fiber Optic Cable s, or Q-Fibre in short, is a multi-national collaborative project under the Clean Energy Transitional Partnership (CETP) program. The lead organization of the project is the Norwegian Geotechnical Institute (NGI), and the LLNL team joins as a beneficiary member. The LLNL team receives the funding from the U.S. Department of Energy with the amount of $\$$1 million across three years, and the budget is primarily allocated to Work Package 3 (WP3) of the project, which focuses on Numerical Modeling of Fiber Optic Cable Data . Figure 1 presents all work packages involved in the project and corresponding lead organization for each work package. The LLNL team leads WP3.

42 ENGINEERING↗

Mapping the Gap: Analysis of Nuclear Cybersecurity Education in U.S. Universities

The U.S. nuclear sector is undergoing rapid transformation, driven by the expansion of advanced reactors, digital modernization of legacy systems, and increasing interest in nuclear energy to meet AI-fueled energy demands. However, the cybersecurity talent pipeline is not keeping pace with this growth. This paper investigates the significant gap in nuclear cybersecurity education and proposes scalable strategies for colleges to address this critical need by promoting it as a viable and essential career path. Through a multi-institutional landscape analysis of 16 cybersecurity and 12 nuclear engineering programs, we found that nuclear cybersecurity is largely absent from university curricula. Most students are unaware of the field’s existence, and few institutions offer hands-on training or interdisciplinary exposure. This lack of awareness leads to a shortage of specialized talent, forcing nuclear facilities to retrain generalist hires or rely on costly external consultants. We present a framework for early pipeline cultivation grounded in Social Cognitive Career Theory and workforce development principles. Proposed solutions include student-led clubs, guest lectures, modular classroom kits, and summer boot camps. By increasing visibility and access to nuclear cyber content, we aim to break the self-reinforcing cycle of low awareness and limited specialization. This work underscores the critical role of education and advocacy in cultivating early interest and guiding students toward this emerging field. We call on academic institutions, national laboratories, and industry stakeholders to collaborate in establishing nuclear cybersecurity as a distinct and accessible career path within the broader cybersecurity and nuclear engineering ecosystems.

99 - GENERAL AND MISCELLANEOUS↗

eCC++ : A Compiler Construction Framework for Embedded Domain-Specific Languages

eCC++ is a new compiler construction framework for embedding domain-specific programming languages within C++. That is, the host language is C++, the guest language is the DSL to be embedded in C++, and eCC++ is the tool that enables the embedding. The eCC++ framework is composed of three main components: a front-end, an API for program verification based on a functional and declarative intermediate representation (IR), and a Multi-Level Intermediate Representation (MLIR) code generator. The eCC++ front-end consists of a library of C++ classes and operators that can be used to define the guest language. Guest sources are compiled with any standard C++ compiler, and when run, the resulting executable generates an eCC++ IR representation of the program, which can be verified within the eCC++ framework. Finally, eCC++ allows for high-level and domain-specific optimizations before generating MLIR. In summary, eCC++ aims to act as a generic front-end that enables embedding guest languages into C++, and provides necessary compiler technology for program verification, targeting the existing capabilities in the MLIR infrastructure. The paper evaluates the eCC++ expressiveness and usability describing the process of embedding GraphIt, a high-performance graph language in C++.

Gonzalez Tallada, Marc↗

Control And Optimization Modular Modeling Application For Nuclear Deployment

The purpose of the COMMAND code is to provide a flexible, scalable tool for use in developing, integrating, and testing the technologies necessary for achieving autonomous operations of advanced nuclear reactors. The code enables users to efficiently implement custom simulations and experiments by combining key methods from different software modules. These modules are focused on: modeling and simulation tools, such as nuclear simulation tools used for high-fidelity modeling (e.g., Reactor Excursion and Leak Analysis Program [RELAP5-3D] and Monte Carlo N-Particle [MCNP]); machine learning and optimization tools (e.g., anomaly detection and data-driven modeling techniques); advanced control in its digital, high-performance, and supervisory control forms (e.g., proportional integral derivative (PID) control and model predictive control (MPC); and integration with hardware through industrial communication protocols. To ensure flexibility and scalability, COMMAND was designed to be both modular—the software “pieces” all inherit from generic building blocks and can be combined and connected to create complicated simulations—and high performing—designed for parallel processing, enabling simulations and experiments to take advantage of multi-core computers, servers, and nodes. The code is written in the Python programming language due to the language's popularity, active community, and open-source and cross-platform nature. Maintaining consistency with other simulation tools used within the nuclear energy community, users implement simulations and experiments through text input files, which define components, parameters, connections, etc., through lines of text. Given that COMMAND is written in Python, these input files are native Python scripts, and so use the standard Python structure and formatting. This also enables users to take advantage of Python's extensive package library to develop custom capabilities for their specific use cases.

Faber, Jacob [Idaho National Laboratory (INL), Ida↗

Advanced Materials and Manufacturing Technologies Nondestructive Examination Efforts at Idaho National Laboratory: Report of FY-24 Efforts

This report details FY-24 nondestructive examination (NDE) efforts at Idaho National Laboratory (INL) in support of the Advanced Materials and Manufacturing Technologies (AMMT) program. While the goal of this endeavor is to develop a multi-modal, multi-length scale workflow for nondestructive characterization of advanced manufactured (AM) nuclear reactor components, substantial development remains until this is a reality. In support of this effort X-ray computed tomography (XCT), X-ray diffraction (XRD), neutron computed tomography (nCT), neutron diffraction, lock-in thermography (LIT), multi-point lock-in thermography (MLIT), and positron annihilation spectroscopy (PAS) were all used on AM specimens to examine defects such as voids, porosity, and residual stress. In addition to summarizing the results of these NDE applications, recommendations for integrating these into a more comprehensive undertaking to promote NDE of engineering-scale components are also included.

36 MATERIALS SCIENCE↗