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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Toucan: A performance portable, scalable implementation of the DECA algorithm

In the field of additive manufacturing (AM), cellular automata (CA) is extensively used to simulate microstructural evolution during solidification. However, while traditional CA approaches are relatively fast, they still require a substantial number of time steps, are limited to moderate volumes, and are relatively difficult to improve through parallelism due to the highly localized nature of the solidification front. Here, to address these issues of time to solution and load balancing, we introduce Toucan, a parallel, performance-portable, and scalable code written in C++ with the Kokkos library that leverages the discrete event inspired cellular automata (DECA) algorithm to perform parallel-in-time (PinT) grain growth simulations. Toucan effectively mitigates load balancing issues by distributing the computational workload more evenly across processors, enhancing scalability and efficiency. We conduct both strong and weak scaling studies on up to 64 GPUs on the Frontier supercomputer, demonstrating that Toucan significantly outperforms the current state-of-the-art, time-stepped CA code, ExaCA, on both single and multi-GPU simulations. Even in AM-specific weak scaling scenarios, Toucan maintains near-ideal scaling, in contrast to the linear increase observed with ExaCA due to the moving laser raster pattern. This study highlights Toucan’s potential to transform microstructural simulations in AM by radically improving both efficiency and scalability over existing methods.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Implementation of high-speed data acquisition at DIII-D

Research at the DIII-D National Fusion Facility in San Diego focuses on short pulse plasma discharges that specialize on various shaping profiles. High-speed data collection is a critical component for the operation of many of DIII-D’s diagnostics and is fundamental for capturing high-resolution data used in experimental data analysis. Differing techniques enable the plasma control system (PCS) to perform complex real-time feedback control on microsecond time scales. This work presents a comprehensive overview of data acquisition, focusing on the hardware and software used in reliable data acquisition at DIII-D. The robust nature of the data acquisition system allows for various techniques to coexist seamlessly. However, as modern systems capable of nanosecond resolution become more common, existing architectures will need to be modified. Here, by addressing the key challenges of high-speed data acquisition, DIII-D is able to provide real-time data used in plasma operation and has the ability to acquire high fidelity data needed for future experimental fusion reactors, such as ITER.

Control↗
DOE OSTI2025

Implementation of tritium transport in a gas-liquid contactor CFD simulation of tritium extraction from lead-lithium in ANSYS fluent

Modifications to the Computational Fluid Dynamic (CFD) software ANSYS Fluent were done to quantify and characterize tritium transport in Gas-Liquid Contactors (GLCs). A double-slit, Ergun-like equation was employed for the porous media model, with Ergun coefficients validated with Sulzer’s Sulcol software. Tritium transport from PbLi within the GLC was verified against analytical models. The geometry of the CFD model was based on the MELODIE GLC experiment. The hydrodynamic CFD pressure drop results align well with SulCol estimations and fall between the predictions of the analytical Delft-Olujic and Billet & Schultes models. In terms of mass transfer efficiency, traditional mass transfer models showed a significant deviation from experimental results when using varying values of H solubility in PbLi. A saturation phenomenon occurred when utilizing high solubility values for hydrogen in PbLi. In conclusion, a modified film theory mass transfer coefficient, incorporating either the Delft-Olujic or Billet & Schultes wettability model, yielded CFD-predicted extraction efficiencies that closely matched experimental measurements.

70 - PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Implementation of the HEP instrumentation R&D roadmap in the USA

In recent years, the High Energy Physics (HEP) community in the USA has evaluated the technological needs in detector instrumentation for future HEP experiments. Specific needs have been identified and an R&D program to reach them has been defined. This article will briefly summarize the planning process and will highlight the main findings and the road map to carry out the plan as defined by the community.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Mitigating urban climate-energy feedback with citywide building-integrated photovoltaics implementation

Urban heat islands (UHIs) intensify cooling demands, whose waste heat further exacerbates UHI, creating a self-reinforcing feedback loop. Building-integrated photovoltaics (BIPV) can break this cycle by generating electricity and altering urban climate-energy interactions, yet its net impact remains unresolved. Using a cross-scale modeling framework for 118,521 buildings in Hong Kong, we demonstrate that BIPV glazing reduces cooling demand through improved insulation and lower solar heat gain, while inducing diurnal thermal asymmetry of daytime warming (up to +1.9°C) and nighttime cooling (up to −2.5°C). This microclimate regulation indirectly contributes to a 0.6% reduction in citywide building energy use. Cumulative savings from electricity generation and reduced energy use reach 4.7% (2,060.2 GWh) and 10.1% (4,401.3 GWh) under low- and high-coverage deployment, respectively, with building-level savings of −20.1% ± 11.7% (mean ± SD) at high coverage. We establish BIPV as a configurable climate-energy regulator that enables net-zero, heat-resilient planning and quantifies deployment trade-offs in cooling-dominated cities worldwide.

Building-integrated photovoltaics (BIPV)↗
DOE OSTI2024

High-Temperature Fe-Based Fischer–Tropsch Synthesis: Experimentally Validated Kinetic Models Implemented at Pellet and Reactor Scales

Pellet- and reactor-scale models for Fischer–Tropsch synthesis (FTS) with a Fe–K/silica catalyst were developed to investigate the sensitivity of the hydrocarbon products and carbon dioxide selectivity to process conditions and feed composition at high temperature (350–400 °C), moderate pressure (1–10 bar), and a range of H 2 /CO ratios (3–1). The major objective of this paper is to develop, validate, and evaluate a high-temperature FTS model that is then used to assess the feasibility of process integration with syngas production. Since there is limited kinetic data available, in literature at these conditions, bench-scale reactor tests were conducted to obtain operational data for parameter fitting of kinetic expressions used in the model. This resulting kinetic model demonstrated agreement with the experimental data with an R 2 of 0.97 to the testing data set and, thus, was feasible to apply at pellet and reactor scales. Here, multiple pellet sizes were modeled to detail the role of transport limitations as the sphere’s diameter approached and exceeded 1 mm. Application of the reactor model indicated that hydrocarbon selectivity depended strongly on temperature, whereas the ratio of olefin to paraffin products decreased with increasing temperature, pressure, and H 2 /CO ratio. Product selectivity was not sensitive to the conversion of carbon monoxide. Furthermore, the roles of the pressure and H 2 /CO ratio were closely coupled. At a H 2 /CO ratio of 3, only slight variations in selectivity occurred over a pressure range of 1–20 bar, whereas at a ratio of 1, selectivity could vary by as much as 30% over the same pressure range. At pressures below 5 bar and temperatures above 350 °C, minimal selectivity to heavy hydrocarbons (C 12+ ) is obtained, and selectivity to midrange products (C 5–11 ) rapidly declined as pressure dropped below 5 bar, which indicated that an operational pressure of at least 5 bar is needed to achieve reasonable yields in this temperature range. These results, while tentative, provide guidelines for further experimentation and evaluation of integrated FTS processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Implementation of Genetic Algorithms to Optimize Metal–Organic Frameworks for CO 2 Capture

Metal-organic frameworks (MOFs) are promising materials for CO 2 capture with the potential to use less energy than current industrial CO 2 capture methods. MOFs are highly versatile sorbents, and there is an almost unlimited number of MOFs that could be synthesized. In this work, we used a genetic algorithm (GA) and grand canonical Monte Carlo (GCMC) simulations to efficiently search for high-performing MOFs for CO 2 capture. We analyzed the effects of important GA parameters, including the mutation probability, the number of MOFs per generation and the number of GA generations, on the GA performance. Here, we performed GCMC simulations on-the-fly during the GA procedure to determine the performance of proposed MOFs and optimized their structures using multiple objective functions across different topologies. The GA was able to determine top-performing MOFs balancing CO 2 selectivity versus working capacity and reduced the cost of molecular simulations by a factor of 25 versus brute-force screening of an entire database of structures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗