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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Sensitivity of tropical orographic precipitation to wind speed with implications for future projections

Abstract. Some of the rainiest regions on Earth lie upstream of tropical mountains, where the interaction of prevailing winds with orography produces frequent precipitating convection. Yet the response of tropical orographic precipitation to the large-scale wind and temperature variations induced by anthropogenic climate change remains largely unconstrained. Here, we quantify the sensitivity of tropical orographic precipitation to background cross-slope wind using theory, idealized simulations, and observations. We build on a recently developed theoretical framework that characterizes the orographic enhancement of seasonal mean precipitation, relative to upstream regions, as a response of convection to cooling and moistening of the lower free troposphere by stationary orographic gravity waves. Using this framework and convection-permitting simulations, we show that higher cross-slope wind speeds deepen the penetration of the cool and moist gravity wave perturbation upstream of orography, resulting in a mean rainfall increase of 20 % (m s−1)−1 to 30 % (m s−1)−1 increase in cross-slope wind speed. Additionally, we show that orographic precipitation in five tropical regions exhibits a similar dependence on changes in cross-slope wind at both seasonal and daily timescales. Given next-century changes in large-scale winds around tropical orography projected by global climate models, this strong scaling rate implies wind-induced changes in some of Earth's rainiest regions that are comparable with any produced directly by increases in global mean temperature and humidity.

Nicolas, Quentin (ORCID:000000024116973X)↗
DOE OSTI2025

The Importance of Being Adaptable: An Exploration of the Power and Limitations of Domain Adaptation for Simulation-Based Inference with Galaxy Clusters

The application of deep machine learning methods in astronomy has exploded in the last decade, with new models showing remarkably improved performance on benchmark tasks. Not nearly enough attention is given to understanding the models' robustness, especially when the test data are systematically different from the training data, or "out of domain." Domain shift poses a significant challenge for simulation-based inference, where models are trained on simulated data but applied to real observational data. In this paper, we explore domain shift and test domain adaptation methods for a specific scientific case: simulation-based inference for estimating galaxy cluster masses from X-ray profiles. We build datasets to mimic simulation-based inference: a training set from the Magneticum simulation, a scatter-augmented training set to capture uncertainties in scaling relations, and a test set derived from the IllustrisTNG simulation. We demonstrate that the Test Set is out of domain in subtle ways that would be difficult to detect without careful analysis. We apply three deep learning methods: a standard neural network (NN), a neural network trained on the scatter-augmented input catalogs, and a Deep Reconstruction-Regression Network (DRRN), a semi-supervised deep model engineered to address domain shift. Although the NN improves results by 17% in the Training Data, it performs 40% worse on the out-of-domain Test Set. Surprisingly, the Scatter-Augmented Neural Network (SANN) performs similarly. While the DRRN is successful in mapping the training and Test Data onto the same latent space, it consistently underperforms compared to a straightforward Yx scaling relation. These results serve as a warning that simulation-based inference must be handled with extreme care, as subtle differences between training simulations and observational data can lead to unforeseen biases creeping into the results.

Ntampaka, Michelle [Baltimore, Space Telescope Sci↗
DOE OSTI2024

OpenStudio® HPXML workflow [SWR-25-13]

OpenStudio-HPXML allows running residential EnergyPlus™ simulations using an HPXML file for the building description. It is intended to be used by user interfaces or other automated software workflows that automatically produce the HPXML file. OpenStudio-HPXML can accommodate a wide range of different building technologies and geometries. End-to-end simulations typically run in 3-10 seconds, depending on complexity, computer platform and speed, etc. For more information on running simulations, generating HPXML files with the appropriate inputs to run EnergyPlus, etc., please visit the documentation linked below. https://openstudio-hpxml.readthedocs.io/en/latest

Horowitz, Scott↗
DOE OSTI2025

Influence of Phase-Change Materials and Operating Periods on Load Shifting for Thermal Storage Heat Pumps in European Climate Zones

As the reliance on heat pumps (HPs) for space conditioning increases worldwide, ex-tensive grid strains during utility peak hours are expected. Significant research efforts focus on investigating the use of integrated thermal energy storage (TES) systems to reduce peak energy demands. Conventionally, TES systems are often integrated to store and provide either cooling or heating, but not both. In this work, a single room-temperature phase-change material (PCM)-TES was integrated for dual-mode opera-tion with an R290 air-to-water 10.5 kW (3-Ton) HP. Two PCM melting temperatures (17°C, 22°C) were assessed to investigate their impact on system performance and cost reductions for Milan, Italy (4A); Barcelona, Spain (3A); and Oslo, Norway (6A). HP and HP-TES performance maps were generated using Modelica-based transient models and co-simulated with a prototype residential building using the Spawn of En-ergyPlusTM with simple rule-based controls. Our simulations indicate that PCM-17°C provided annual cost savings at higher peak-to-off-peak cost ratios, as the demand re-duction dominated the savings potential. The recharge energy costs and requirements became more dominant at lower cost ratios, making PCM-22°C more beneficial at lower cost ratios. Finally, despite Oslo's heating-dominated climate, the utility peak hours favor cooling demand reductions, making PCM-17°C more appealing. In all cases, the cost savings potential stabilized between 4 – 10% regardless of cost ratio, suggesting that system-level component and operation control optimization is required to maximize cost savings further.

25 ENERGY STORAGE↗
DOE OSTI2026

DECAL MDN Resolution Calibration

The simulated pixelated calorimeter uses 0.1 mm × 0.1 mm silicon pixels (0.0001 cm²) silicon pixels as active layers — far finer than current concepts like HGCAL (~0.5 cm²) — improving energy resolution through much finer segmentation. While the standard resolution formalism fits three numbers to a handful of discrete test-beam energies, this work is a first try at a more data-efficient alternative: learning the full response shape continuously in energy with a mixture density network. This continuous, differentiable surrogate is a natural building block for fast simulation of extremely complex calorimeters.

Wang, Peter [U. Chicago (main)]↗
DOE OSTI2024

Exploring Li-Ion Transport Properties of Li 3 TiCl 6 : A Machine Learning Molecular Dynamics Study

We performed large-scale molecular dynamics simulations based on a machine-learning force field (MLFF) to investigate the Li-ion transport mechanism in cation-disordered Li 3 TiCl 6 cathode at six different temperatures, ranging from 25°C to 100°C. In this work, deep neural network method and data generated by ab − initio molecular dynamics (AIMD) simulations were deployed to build a high-fidelity MLFF. Radial distribution functions, Li-ion mean square displacements (MSD), diffusion coefficients, ionic conductivity, activation energy, and crystallographic direction-dependent migration barriers were calculated and compared with corresponding AIMD and experimental data to benchmark the accuracy of the MLFF. From MSD analysis, we captured both the self and distinct parts of Li-ion dynamics. The latter reveals that the Li-ions are involved in anti-correlation motion that was rarely reported for solid-state materials. Similarly, the self and distinct parts of Li-ion dynamics were used to determine Haven’s ratio to describe the Li-ion transport mechanism in Li 3 TiCl 6 . Obtained trajectory from molecular dynamics infers that the Li-ion transportation is mainly through interstitial hopping which was confirmed by intra- and inter-layer Li-ion displacement with respect to simulation time. Ionic conductivity (1.06 mS/cm) and activation energy (0.29eV) calculated by our simulation are highly comparable with that of experimental values. Overall, the combination of machine-learning methods and AIMD simulations explains the intricate electrochemical properties of the Li 3 TiCl 6 cathode with remarkably reduced computational time. Thus, our work strongly suggests that the deep neural network-based MLFF could be a promising method for large-scale complex materials.

Selvaraj, Selva Chandrasekaran (ORCID:000000029023↗
DOE OSTI2025

Characterization of the optical model of the T2K 3D segmented plastic scintillator detector unit cube

The magnetized near detector (ND280) of the T2K long-baseline neutrino oscillation experiment has been recently upgraded aiming to satisfy the requirement of reducing the systematic uncertainty from measuring the neutrino–nucleus interaction cross section, which is the largest systematic uncertainty in the search for leptonic charge-parity symmetry violation. A key component of the upgrade is SuperFGD, a 3D segmented plastic scintillator detector made of approximately 2,000,000 optically-isolated 1 cm 3 cubes. The SuperFGD cube unit shows promising optical performance, including a high light yield of about 40 photoelectrons (p.e.) per channel, a low cube-to-cube crosstalk rate below 3%, and a sub-nanosecond time resolution of 0.96 ns. By combining tracking and stopping power measurements of final state particles, this novel detector enables precise 3D-imaging of GeV neutrino interactions with reduced systematic uncertainties. A detailed Geant4 based optical simulation of the SuperFGD building block, i.e. a plastic scintillating cube read out by three wavelength shifting fibers, has been developed and validated with the different datasets collected in various beam tests. In this manuscript the description of the optical model as well as the comparison with data are reported.

Neutrino oscillations↗
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 OSTI2026

EASY-SHIFT v Alpha

The software is a generic, price- and load-responsive control algorithm integrating heat pumps with thermal energy storage. The algorithm leverages simple models of the system and easily accessible data to schedule operation of heat pumps and thermal energy storage in ways that minimize the cost of operating the heating/cooling system. This tool is specifically designed to be easy to interact with, and something that industry partners are able to adopt. There are two current state of the art approaches. Industry tends to develop very simple algorithms, with predetermined schedules that are not capable of changing operation in response to changes in operating environment. For example, a control designed to avoid high-price electricity from 5-8 PM will not be able to adapt if the high-price period changes to 4-9 PM. Academia commonly develops algorithms called Model predictive control (MPC). MPC requires extensive data and highly trained staff to develop a specific type of simulation model of the building, connect the building to optimization algorithms, and leverage powerful computers. Industry, with limited time/finance budgets for any project, is resistant to adopting MPC due to the associated high complexity and cost.

Grant, Peter [Lawrence Berkeley National Laborator↗
DOE OSTI2025

PETSc/TAO developments for GPU-based early exascale systems

The Portable Extensible Toolkit for Scientific Computation (PETSc) library provides scalable solvers for nonlinear time-dependent differential and algebraic equations and for numerical optimization via the Toolkit for Advanced Optimization (TAO). PETSc is used in dozens of scientific fields and is an important building block for many simulation codes. During the U.S. Department of Energy’s Exascale Computing Project, the PETSc team has made substantial efforts to enable efficient utilization of the massive fine-grain parallelism present within exascale compute nodes and to enable performance portability across exascale architectures. We recap some of the challenges that designers of numerical libraries face in such an endeavor, and then discuss the many developments we have made, which include the addition of new GPU backends, features supporting efficient on-device matrix assembly, better support for asynchronicity and GPU kernel concurrency, and new communication infrastructure. In conclusion, we evaluate the performance of these developments on some pre-exascale systems as well as the early exascale systems Frontier and Aurora, using compute kernel, communication layer, solver, and mini-application benchmark studies, and then close with a few observations drawn from our experiences on the tension between portable performance and other goals of numerical libraries.

Exascale Computing Project (ECP)↗
DOE OSTI2026

ResStock Measure Documentation: Propane Furnace 95% AFUE and Fuel Oil Furnace 88% AFUE

This report is part of a series describing different ResStock (TM) measures. "Measures" refers to energy efficiency retrofits that can be applied to buildings during modeling. This documentation covers the "Propane Fuel 95% AFUE and Fuel Oil Furnace 88% AFUE" measure upgrade methodology and briefly discusses key results.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2026

ResStock Measure Documentation: Natural Gas Water Heater

This report is part of a series describing different ResStock measures. "Measures" refers to energy efficiency retrofits that can be applied to buildings during modeling. This documentation covers the "Natural Gas Water Heater" measure upgrade methodology and briefly discusses key results.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2026

ResStock Measure Documentation: Heat Pump Water Heater

This report is part of a series describing different ResStock measures. "Measures" refers to energy efficiency retrofits that can be applied to buildings during modeling. This documentation covers the “Heat Pump Water Heater” measure upgrade methodology and briefly discusses key results.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2026

Potential Applications of Quantum Computing at Los Alamos National Laboratory, v0.3.0

Since the scientific revolution in the 16th and 17th centuries, the process of scientific discovery has followed an iterative feedback process of observation, hypothesis development and testing with physical experiments, which is widely referred to as the scientific method. This process remained largely unchanged until the middle of the 20th century, when the emergence of digital computers empowered scientist to build and inspect detailed simulations of physical phenomena. Over the last century, computational tools have transformed modern approaches to scientific discovery by enabling fast and affordable hypothesis testing before physical experiments are conducted, shown in Figure 1-1. Some notable examples include: global climate forecasts to understand how the environment may change over decades [130]; modeling the behavior of plasma to design fusion reactors [59]; and understanding the behavior of molecules in biological processes [161, 223].

36 MATERIALS SCIENCE↗
DOE OSTI2024

Transition in ICF Capsule Implosions

Longstanding design and reproducibility challenges in inertial confinement fusion (ICF) capsule implosion experiments involve recognizing the need for appropriately characterized and modeled three-dimensional initial conditions and high-fidelity simulation capabilities to predict transitional flow approaching turbulence, material mixing characteristics, and late-time quantities of interest—e.g., fusion yield. We build on previous coarse graining simulations of the indirect-drive national ignition facility (NIF) cryogenic capsule N170601 experiment-a precursor of N221205 which resulted in net energy gain. We apply effectively combined initialization aspects and multiphysics coupling in conjunction with newly available hydrodynamics simulation methods, including directional unsplit algorithms and low Mach-number correction-key advances enabling high fidelity coarse grained simulations of radiation-hydrodynamics driven transition. Our presentation includes discussion of the capsule initialization and implosion dynamics, analysis of the vorticity production budget, transition signatures, quantities of interest—late-time ion temperature and fusion-neutron yield, numerical uncertainty quantification, and comparisons with NIF data.

42 ENGINEERING↗
DOE OSTI2026

Preliminary Assessment for the Electric Load Shifting Potential of Integrating Thermal Energy Storage with Heat Pumps in Residential Buildings in Texas of United States

The widespread adoption of electric-driven heat pumps for heating and cooling is expected to significantly increase electric demand. Cooling electric demand will result in an increase in peak hours electric loads, placing additional strain on the grid during peak hours. This challenge, combined with the current rapidly increasing demand from data centers, exacerbates the electric demand duck curve problem. Integrating thermal energy storage (TES) with heat pump can shift electric use for heating and cooling from peak to off-peak hours of the electric grid, which can help flatten the daily electric demand profile of a building. This paper presents a novel design that integrates heat pump with TES (HP-TES), which uses phase change materials (PCM). Heat pump charges TES by melting or freezing PCM during off-peak hours when there is no thermal demand from the building. TES is then discharged (i.e., by freezing or melting PCM) during peak hours to provide a more favorable heat source or heat sink for the heat pump to meet the thermal demand of the building with lower electricity use than conventional air-source heat pumps. Computer simulations were developed to predict the performance of HP-TES applied to a typical single-family house in the US. The building-level simulation results were scaled up to preliminarily assess the aggregated impacts of deploying HP-TES across all single-family houses in Texas of the United States, including reduction of peak demand of the electric grid.

Anees, Fady [ORNL]↗
DOE OSTI2024

Advanced co-simulation framework for assessing the interplay between occupant behaviors and demand flexibility in commercial buildings

With buildings contributing significantly to electricity usage, enabling demand flexibility becomes a challenge, especially when accounting for occupant comfort. This study introduces an innovative co-simulation framework integrating multiple models: heating, ventilation, and air conditioning (HVAC) system, building zone load, indoor airflow, supervisory control, and occupant comfort and behavior. Uniquely, this framework allows for a comprehensive and dynamic analysis of building systems and occupant interactions in demand response events. Using this framework, we conducted a case study using a typical small office building model. Specifically, we focused on three areas: (1) the impact of indoor airflow modeling on energy use, occupant comfort, and behaviors forecasting, (2) the impact of occupant behaviors on demand flexibility, and (3) occupant comfort and behaviors under demand response events. Key performance indicators such as energy use, flexibility factor, durations of occupant discomfort and occupant behaviors were analyzed. Our findings indicated variations in energy usage and occupant comfort within demand flexibility events, marked by uncertainty boundaries, with variability in demand shedding up to 57.9%. Here, we concluded that this framework is suitable for analyzing typical commercial buildings and their HVAC systems in terms of demand flexibility potential under the impact of occupant behaviors.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗