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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Artificial Intelligence for Data Center Operations (AIOps): Cooperative Research and Development (Final Report)

High performance computing data centers will increasingly need to rely on automation to keep pace with exascale growth in compute capability and to manage and optimize the data center environment and facility resources. Artificial intelligence and machine learning approaches provide the means to improve HPC data center operational efficiency, by learning historical trends and training models to operate on real-time data collected from both IT and facilities sources. NREL has developed methods of real-time collection, aggregation and streaming of these data in the ESIF HPC Data Center and has collected a significant dataset of relevant metrics across computer systems, racks, environmental, building and utility sources for research into various predictive analytics problems. HPE's Advanced Technology Group (ATG) is doing comprehensive research into exascale monitoring and management for High Performance Computing (HPC) systems (hereinafter HPE's Data Monitoring/ Management Technology). NREL and HPE will collaborate to add Artificial Intelligence (AI) to NREL's real-time data collection/ aggregation/ streaming system and HPE's Data Monitoring/ Management System, with the goal of improving the operational efficiency of NREL's Energy Systems Integration Facility (ESIF) HPC Data Center through data analytics on both historical and real-time data from IT systems and facilities operations. This collaboration will consist of efforts in Data Management, Data Analytics, and AI/ML Optimization for both manual and autonomous intervention in data center operations. This will be a multi-year, multi-staged effort with a goal towards building capabilities for an Advanced Smart Facility, and demonstration of these techniques in the NREL ESIF HPC Data Center.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Wind Turbine Rotor Design Using High-Fidelity Aerostructural Optimization

Large wind turbines yield more energy but demand careful aeroelastic blade design. Coupled multiphysics design strategies can reduce wind energy costs by exploiting fluid-structure interactions. This work presents the first high-fidelity aerostructural optimization study of a large wind turbine rotor. We use blade-resolved fluid dynamics and structural solvers in a monolithic gradient-based optimization framework to explore steady-state torque and blade mass tradeoffs. The coupled-adjoint approach computes gradients efficiently, enabling the optimization of over 100 structural and geometric parameters simultaneously. Our optimization study modifies a DTU 10 MW benchmark with a simplified structure and isotropic material properties. The tightly coupled optimizations increase torque by 14% while reducing rotor mass by 9% or reduce blade mass by 27% while maintaining torque. Blade-resolved models provide greater design freedom, enabling 5% higher mass reductions than conventional parameterizations at equal torque. This framework paves the way for more detailed high-fidelity optimization studies to complement conventional design approaches.

17 WIND ENERGY↗
DOE OSTI2025

Evaluating the Impact of Tritium Permeation Membrane Performance and Direct Internal Recycling on Fusion Fuel Cycle Efficiency Using TMAP8

An efficient fuel cycle is vital to sustainable and cost-effective energy generation in fusion systems. Since tritium is not widely available, fusion systems must breed their own tritium for sustainable fusion deuterium-tritium reactions. An inefficient fuel cycle increases the tritium inventory needed for operations, which increases costs, constraints on tritium management systems, and safety concerns. A fuel cycle model is a powerful tool for understanding tritium inventories and flow rates across all systems in the fuel cycle. By simplifying the technical details into time-dependent tritium flow rates and inventories, the model can simulate the entire fuel cycle with high computational efficiency, even for technologies that are still under development. It can therefore quantify the impact of new tritium management technologies on fuel cycle efficiency. To evaluate the impact of key components on reducing tritium inventory, we are using and expanding an existing fuel cycle models based on latest advancements in fuel cycle research. The new model integrates Tritium Permeation Membrane (TPM) and Direct Internal Recycling (DIR) to enhance tritium transport from blanket breeders and plasma exhaust. These fuel cycle models are implemented in TMAP8 (Tritium Migration Analysis Program, version 8), a MOOSE-based open-source application designed to provide cutting-edge capabilities for tritium transport and fuel cycle modeling. The study aims to demonstrate the extensibility of existing fuel cycle modeling capability in TMAP8 and to offer a proof-of-principle design for future fusion plant systems. The presentation will cover the performance of fuel cycle modeling capabilities available in TMAP8, highlight advancements in fuel cycle research, and present a sensitivity analysis of these models. The results underline potential approaches and technology solutions to lower tritium inventory requirements, highlighting their role in shaping the future of fusion energy.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Towards a Deeper Fundamental Understanding of (Al,Sc)N Ferroelectric Nitrides

Density functional theory (DFT) calculations, within the virtual crystal alloy approximation, are performed, along with the development of a Landau-type model employing a symmetry-allowed analytical expression of the internal energy and having parameters determined from first principles, to investigate properties and energetics of Al1-xScxN ferroelectric nitrides in their hexagonal forms. These DFT computations and this model predict the existence of two different types of minima, namely, the fourfold-coordinated wurtzite (WZ) polar structure and a five-fold coordinated paraelectric hexagonal phase (denoted as H5), for any Sc composition up to 40%. The H5 minimum progressively becomes the lowest-energy state within hexagonal symmetry as the Sc concentration increases from 0 to 0.4. Furthermore, the model points to several key findings. Examples include the crucial role of the coupling between polarization and strains to create the WZ minimum, in addition to polar and elastic energies, and that the origin of the H5 state overcoming the WZ phase as the global minimum within hexagonal symmetry when increasing the Sc composition mostly lies in the compositional dependency of only two parameters-one linked to the polarization and another one being purely elastic in nature. Other examples are that forcing Al1-xScxN systems to have no or a weak change in lattice parameters when heating them allows us to reproduce their finite-temperature polar properties well and that a value of the axial ratio close to that of the ideal WZ structure implies a large polarization at low temperatures but not necessarily at high temperatures because of the ordered-disordered character of the temperature-induced formation of the WZ state. Such findings should allow for a better fundamental understanding of (Al,Sc)N ferroelectric nitrides, which may be used to design efficient devices having, e.g., low operating voltages.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

A performant energy-conserving particle reweighting method for Particle-in-Cell simulations

A new particle-based reweighting method is developed and demonstrated in the Aleph Particle-in-Cell with Direct Simulation Monte Carlo (PIC-DSMC) program. Novel splitting and merging algorithms ensure that modified particles maintain physically consistent positions and velocities. This method allows a single reweighting simulation to efficiently model plasma evolution over orders of magnitude variation in density, while accurately preserving energy distribution functions (EDFs). Demonstrations on electrostatic sheath and collisional rate dynamics show that reweighting simulations achieve accuracy comparable to fixed weight simulations with substantial computational time savings. This highly performant reweighting method is recommended for modeling plasma applications that require accurate resolution of EDFs or exhibit significant density variations in time or space.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

High Performance, High Fidelity: A GPU‐Accelerated Doubly‐Periodic Configuration of the Simple Cloud‐Resolving E3SM Atmosphere Model Version 1 (DP‐SCREAMv1)

The development of the Simplified Cloud Resolving Energy Exascale Earth System Atmosphere Model (SCREAMv1) enables global storm-resolving simulations on modern GPU-based supercomputers. However, the high computational cost of SCREAMv1 limits its routine use for process-level studies, creating a need for efficient proxy configurations. This study addresses this gap by introducing DP-SCREAMv1, a doubly periodic cloud-resolving model designed to be fully consistent with SCREAMv1 while enabling high-resolution, long-duration simulations at significantly reduced computational expense by simulating a limited doubly periodic domain rather than the entire globe. Built on a C++/Kokkos architecture, DP-SCREAMv1 achieves exceptional performance scalability on GPU systems and includes a rich library of cases for validation and scientific exploration. In this work, we demonstrate short wall-clock times at SCREAMv1's default resolution and show that DP-SCREAMv1 supports routine execution of large-domain, high-resolution experiments that were previously challenging in practice. Furthermore, we show that DP-SCREAMv1 enables routine execution of “Giga-LES” style simulations and facilitates large-domain, high-resolution simulations that were recently considered burdensome to perform. These results document an efficient, fully consistent process-level configuration for SCREAMv1 (DP-SCREAMv1) and illustrate its use for long-duration and large-domain experiments at cloud-resolving to eddy-permitting resolution.

Environmental sciences↗
DOE OSTI2026

Plant Design for a Developing Bioeconomy Workshop Report: Frontier Science for the Bioeconomy Workshop Series

Recent advances in fundamental plant biology research, synthetic biology, and artificial intelligence (AI) are unlocking powerful new capabilities in plant biodesign, offering unprecedented potential to reimagine plants as programmable platforms for resource-efficient production of bioenergy, biomaterials, chemicals, and more. The U.S. Department of Energy (DOE) convened the Plant Design for a Developing Bioeconomy virtual workshop on March 12 through 14, 2025, to bring together leaders across plant science, engineering, and computation to assess the current landscape and define a bold vision for future research. Discussions during the workshop built upon findings included in DOE’s Biological and Environmental Research (BER) workshop report Overcoming Barriers in Plant Transformation: A Focus on Bioenergy Crops (U.S. DOE 2024; genomicscience. energy.gov/plant-transformation). Participants identified critical knowledge gaps, technical barriers, and emerging opportunities in the design and engineering of plant systems to support a robust, resilient domestic bioeconomy aligned with DOE’s mission.

09 BIOMASS FUELS↗
NASA NTRS1993

Computation of the sound generated by isotropic turbulence

The acoustic radiation from isotropic turbulence is computed numerically. A hybrid direct numerical simulation approach which combines direct numerical simulation (DNS) of the turbulent flow with the Lighthill acoustic analogy is utilized. It is demonstrated that the hybrid DNS method is a feasible approach to the computation of sound generated by turbulent flows. The acoustic efficiency in the simulation of isotropic turbulence appears to be substantially less than that in subsonic jet experiments. The dominant frequency of the computed acoustic pressure is found to be somewhat larger than the dominant frequency of the energy-containing scales of motion. The acoustic power in the simulations is proportional to epsilon (M(sub t))(exp 5) where epsilon is the turbulent dissipation rate and M(sub t) is the turbulent Mach number. This is in agreement with the analytical result of Proudman (1952), but the constant of proportionality is smaller than the analytical result. Two different methods of computing the acoustic power from the DNS data bases yielded consistent results.

Sarkar, S.↗
NASA NTRS1994

Cell Libraries

A NASA contract led to the development of faster and more energy efficient semiconductor materials for digital integrated circuits. Gallium arsenide (GaAs) conducts electrons 4-6 times faster than silicon and uses less power at frequencies above 100-150 megahertz. However, the material is expensive, brittle, fragile and has lacked computer automated engineering tools to solve this problem. Systems & Processes Engineering Corporation (SPEC) developed a series of GaAs cell libraries for cell layout, design rule checking, logic synthesis, placement and routing, simulation and chip assembly. The system is marketed by Compare Design Automation.

Source record↗
NASA NTRS2013

Kuang's Semi-Classical Formalism for Calculating Electron Capture Cross Sections and Sample Application for ENA Modeling

Accurate estimates of electron-capture cross sections at energies relevant to ENA modeling (approx. few MeV per nucleon) and for multi-electron ions must rely on detailed, but computationally expensive, quantummechanical description of the collision process. Kuang's semi-classical approach is an elegant and efficient way to arrive at these estimates. Motivated by ENA modeling efforts, we shall briefly present this approach along with sample applications and report on current progress.

Barghouty, A. F.↗
DOE OSTI2026

Transient uncertainty quantification and Global Sensitivity Analysis of the open-source Molten Chloride Reactor Experiment (MCRE) using GP-PCA surrogate models

Uncertainties in the thermophysical properties of molten salts impact both the steady-state and transient behavior of Molten Salt Reactors (MSRs). In this work, we aim to quantify the influence of such uncertainties on the transient operation of the Molten Chloride Reactor Experiment (MCRE), utilizing the open-source specifications provided for this reactor. Seven representative transient scenarios are considered. For each scenario, we evaluate the impact of thermophysical property uncertainties on four key multiphysics model output variables of interest (VoIs): maximum power density, maximum fuel temperature, maximum reflector temperature, and average fuel velocity magnitude. In addition, we perform a Global Sensitivity Analysis (GSA) by computing Sobol’ indices for the uncertain input parameters to determine their contribution to the variability of each VoI. Conducting GSA is computationally intensive due to the large number of required evaluations of the high-fidelity multiphysics model. To mitigate this cost, we develop a surrogate modeling framework that combines Gaussian Process (GP) regression with Principal Component Analysis (PCA), enabling efficient sample generation for the GSA. Our results show that for energy-related VoIs, thermal conductivity is the dominant contributor to uncertainty. In contrast, for flow-related VoIs, density and dynamic viscosity are the primary sources of uncertainty. The specific heat of the fuel salt was found to play a secondary role in the transient analyses.

42 - ENGINEERING↗
DOE OSTI2025

Gradient flow based phase-field modeling using separable neural networks

Allen–Cahn equation is a reaction–diffusion equation and is widely used for modeling phase separation. Machine learning methods for solving the Allen–Cahn equation in its strong form suffer from inaccuracies in collocation techniques, errors in computing higher-order spatial derivatives, and the large system size required by the space–time approach. To overcome these challenges, we propose solving the gradient flow of the Ginzburg–Landau free energy functional, which is equivalent to the Allen–Cahn equation, thereby avoiding the second-order spatial derivatives associated with the Allen–Cahn equation. A minimizing movement scheme is employed to solve the gradient flow problem, eliminating the complexities of a space–time approach. We utilize a separable neural network that efficiently represents the phase field through low-rank tensor decomposition. As we use the minimizing movement scheme to numerically solve the gradient flow problem, we thus, refer to the proposed method as the Separable Deep Minimizing Movement (SDMM) method. The evaluation of the functional in the minimizing movement scheme using the Gauss quadrature technique bypasses the inaccuracies associated with collocation techniques traditionally used to solve partial differential equations. A hyperbolic tangent transformation is introduced on the phase field prior to the evaluation of the functional to ensure that it remains strictly bounded within the values of the two phases. For this transformation, theoretical guarantee for energy stability of the minimizing movement scheme is established. Our results suggest that this transformation helps to improve the accuracy and efficiency significantly. The proposed method resolves the challenges faced by state-of-the-art machine learning techniques, outperforming them in both accuracy and efficiency. It is also the first machine learning method to achieve an order of magnitude speed improvement over the finite element method. In addition to its formulation and computational implementation, several case studies illustrate the applicability of the proposed method.

42 ENGINEERING↗
DOE OSTI2025

Application of a temporal multiscale method for efficient simulation of degradation in PEM Water Electrolysis under dynamic operating conditions

Hydrogen is emerging as a vital energy carrier, driven by the need to reduce carbon emissions. Proton Electrolyte Membrane Water Electrolysis (PEMWE) enables hydrogen production under fluctuating renewable power conditions but requires improved understanding and stability of the anode catalyst layer under dynamic operating conditions, especially with low noble metal loadings. Long-term degradation experiments are both time-consuming and costly; therefore, a systematic, model-aided approach is essential. In the present work, a temporal multiscale method is applied to reduce the computational effort of simulating long-term degradation processes in PEMWE, with an exemplary focus on catalyst dissolution. A mechanistic model incorporating the oxygen evolution reaction, catalyst dissolution, and hydrogen permeation from the cathode to the anode was hypothesized and implemented. In this way, the local periodicity of transport and reaction processes in dynamic PEMWE operation, which influence the gradual degradation of the catalyst layer, is captured. The temporal multiscale method significantly reduces the computational effort of simulation, decreasing processing time from hours to mere minutes. This efficiency gain is attributed to the limited evolution of Slow-Scale variables during each period of time P of the Fast-Scale variables. Consequently, simulation is required only until local periodicity is achieved within each Slow-Scale time step. Hence, the fully resolved dynamic problem is decoupled into these two scales, employing a heterogeneous multiscale technique. The developed approach effectively accelerates parameter estimation and predictive simulations, supporting systematic modeling of PEMWE degradation under dynamic conditions.

08 HYDROGEN↗
DOE OSTI2025

Thermo-hydraulic steam pipe models for district heating simulations: Simplifications to balance accuracy and simulation speed

Steam piping networks are essential for optimizing performance in industrial processes and district heating systems. However, dynamic models that balance thermo-hydraulic accuracy with computational efficiency remain limited. In response, this paper presents a new discretized steam pipe model based on the plug flow approach, capturing key thermo-hydraulic behaviors while simplifying steam phase change processes. Implemented in Modelica, the model accurately calculates temperature and pressure distributions along steam pipelines. To improve computational efficiency for district-scale simulations, five model simplifications are introduced: lumped thermo-hydraulic functions, empirical correlations, fluid state approximations, steady-state dynamics and inclusion of flow derivatives. These simplified models achieve 85%-98% accuracy in predicting pressure drop and condensation losses, including dynamic condensate behavior during pipe warm-up—a factor often overlooked in existing models. The models support diverse network configurations, scaling effectively to systems with multiple distribution pipes and connected building loads. Discrete models provide detailed insights but exhibit a cubic increase in simulation time as the network scales by N connected building O(N 2.42 ). In contrast, lumped models simulate 10–28 times faster than discrete, offering quadratic scaling of simulation time O(N 1.73 ). However, they still require 6 times more computation time than a lossless network, highlighting the inherent computational challenges of modeling compressible fluid flow. In conclusion, the steady-state lumped variant, with its near-linear scalability in computational time O(N 1.01 ), emerges as an efficient solution for preliminary design evaluations and extensive parametric studies.

15 GEOTHERMAL ENERGY↗
NASA NTRS2016

An Integrated Circuit for Radio Astronomy Correlators Supporting Large Arrays of Antennas

Radio telescopes that employ arrays of many antennas are in operation, and ever larger ones are being designed and proposed. Signals from the antennas are combined by cross-correlation. While the cost of most components of the telescope is proportional to the number of antennas N, the cost and power consumption of cross-correlationare proportional to N2 and dominate at sufficiently large N. Here we report the design of an integrated circuit (IC) that performs digital cross-correlations for arbitrarily many antennas in a power-efficient way. It uses an intrinsically low-power architecture in which the movement of data between devices is minimized. In a large system, each IC performs correlations for all pairs of antennas but for a portion of the telescope's bandwidth (the so-called "FX" structure). In our design, the correlations are performed in an array of 4096 complex multiply-accumulate (CMAC) units. This is sufficient to perform all correlations in parallel for 64 signals (N=32 antennas with 2 opposite-polarization signals per antenna). When N is larger, the input data are buffered in an on-chipmemory and the CMACs are re-used as many times as needed to compute all correlations. The design has been synthesized and simulated so as to obtain accurate estimates of the IC's size and power consumption. It isintended for fabrication in a 32 nm silicon-on-insulator process, where it will require less than 12mm2 of silicon area and achieve an energy efficiency of 1.76 to 3.3 pJ per CMAC operation, depending on the number of antennas. Operation has been analyzed in detail up to N = 4096. The system-level energy efficiency, including board-levelI/O, power supplies, and controls, is expected to be 5 to 7 pJ per CMAC operation. Existing correlators for the JVLA (N = 32) and ALMA (N = 64) telescopes achieve about 5000 pJ and 1000 pJ respectively usingapplication-specific ICs in older technologies. To our knowledge, the largest-N existing correlator is LEDA atN = 256; it uses GPUs built in 28 nm technology and achieves about 1000 pJ. Correlators being designed for the SKA telescopes (N = 128 and N = 512) using FPGAs in 16nm technology are predicted to achieve about 100 pJ.

ASIC↗
DOE OSTI2026

A Linear Programming Approach to Backtracking for Single-Axis Trackers on Rolling Terrain

In this article, we present a computationally efficient method for determining optimal backtracking rotations for single-axis solar trackers on nonuniform terrain. The method allows for ganged tracking, mechanical rotation constraints, uneven row spacing, and arbitrary maximum allowable shaded fractions (to enable “fractional backtracking”). As with previous 2-D approaches, the method is suitable for terrain that varies in the transverse direction with respect to the rotation axis of the trackers. The novelty of the method lies in formulating the problem of shade avoidance as a linear problem, which is achieved by using the row interception width as the optimization variable instead of rotation angles. Formulating backtracking as a linear problem enables the use of extremely efficient linear programming algorithms, making the method highly scalable, requiring less than 1 min to compute optimal rotation schedules for hundreds of trackers. It also produces more effective backtracking rotations, reducing the frequency of shading by 4× and improving system energy output by 1%–2%.

Optimization↗
DOE OSTI2024

Generalized Quasi-Static Mooring System Modeling with Analytic Jacobians

This paper presents a generalized and efficient method for quasi-static analysis of mooring systems, including complex scenarios such as when shared mooring lines interconnect multiple floating wind or wave energy devices. While quasi-static mooring models are well established, most published formulations are focused on specific applications, and no publicly available implementations provide efficient handling of large mooring system networks. The present formulation addresses these gaps by: (1) formulating solutions for edge cases not typically supported by quasi-static models; (2) creating a fully generalized model structure such that any combination of mooring lines, point masses, and floating bodies can be assembled; and (3) deriving analytic expressions for the system Jacobians (stiffness matrices) so that systems with many degrees of freedom can be solved efficiently. These techniques form the theory basis of MoorPy, an open-source mooring analysis library. The model is demonstrated on nine scenarios of increasing complexity with features of interest for offshore renewable energy applications. When compared with steady-state results from a lumped-mass dynamic model, the results show that the quasi-static formulation accurately calculates profiles and tensions and that its analytic approach provides more efficient and reliable computation of system stiffness matrices than finite-differencing methods. These results verify the accuracy of the MoorPy model.

16 TIDAL AND WAVE POWER↗
NASA NTRS1996

Cooperative high-performance storage in the accelerated strategic computing initiative

The use and acceptance of new high-performance, parallel computing platforms will be impeded by the absence of an infrastructure capable of supporting orders-of-magnitude improvement in hierarchical storage and high-speed I/O (Input/Output). The distribution of these high-performance platforms and supporting infrastructures across a wide-area network further compounds this problem. We describe an architectural design and phased implementation plan for a distributed, Cooperative Storage Environment (CSE) to achieve the necessary performance, user transparency, site autonomy, communication, and security features needed to support the Accelerated Strategic Computing Initiative (ASCI). ASCI is a Department of Energy (DOE) program attempting to apply terascale platforms and Problem-Solving Environments (PSEs) toward real-world computational modeling and simulation problems. The ASCI mission must be carried out through a unified, multilaboratory effort, and will require highly secure, efficient access to vast amounts of data. The CSE provides a logically simple, geographically distributed, storage infrastructure of semi-autonomous cooperating sites to meet the strategic ASCI PSE goal of highperformance data storage and access at the user desktop.

Gary, Mark↗