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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Design and performance assessment of a dual-mode latent thermal storage integrated heat pump across multiple climate zones

The electrification of space cooling and heating systems risks overloading the existing electrical grid during peak hours. Heat pumps integrated with thermal energy storage (HP-TES) offer a promising solution by shifting peak loads to off-peak hours, reducing grid strains. This work presents the design and assessment of a dual-mode HP-TES that uses a single 22°C phase-change material (PCM) as a heat source or sink in heating and cooling modes, respectively. Performance assessment was conducted using Modelica-based transient models, and full-year simulations were conducted across eight US climate zones using typical weather data. Two HP-TES performance metrics: peak energy reduction and recharge energy increases, were defined by comparing HP-TES energy consumption with base HP peak consumptions. Annual heating demand reductions (40–65%) exceeded cooling demand reductions (15–20%) due to the elimination of peak-hour backup heating. Cooling mode recharge energy requirements (0–10%) were reduced in locations with lower summer nighttime temperatures, while heating recharge requirements were lower than the high base-peak energy demand from backup heating. Simplified rapid methods that were 10 7 times faster than annual simulations were developed to predict seasonal cooling and heating energy reductions, and recharge energy requirements, with maximum deviations of ±2.5% and ±3.5% points. These methods enabled rapid parametric studies that identified optimal location-specific PCM temperatures between 22°C and 27°C, highlighting the need to consider both discharge and recharge energy requirements to achieve sustainable, energy-efficient peak load shifting across various climate zones.

25 ENERGY STORAGE↗
DOE OSTI2026

pyRMG: A framework for high-throughput, large-cell DFT calculations on supercomputers

Exascale computing delivers the raw power to simulate ever larger and more chemically realistic systems, but realizing this potential requires codes that can efficiently use thousands of processors. Our real-space multigrid (RMG) density functional theory (DFT) code’s grid-decomposition approach scales nearly linearly with the number of graphics processing units (GPUs), even for simulations exceeding thousands of atoms. This scalability makes RMG a compelling tool for high-throughput DFT studies of materials that would otherwise be bottlenecked in other codes (for example, by global fast Fourier transforms in plane-wave DFT). However, the limited workflow infrastructure for RMG has thus far constrained its adoption to a small user community. In this work, we present pyRMG, a Python package designed to streamline the setup and execution of RMG DFT calculations. Built on the pymatgen and ASE (Atomic Simulation Environment) computational materials science Python packages, pyRMG automates input generation and convergence checking, and it integrates with modern job schedulers (e.g., Flux) on leadership-class platforms such as Frontier and Perlmutter. Here, we demonstrate pyRMG for a high-throughput study of strain effects in 2D 2L-Bi 2 Se 3 /2L-NbSe 2 heterostructures, which offers chemical insights into this system and shows that RMG-based workflows can converge with limited user intervention.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Quantum many-body calculations using body-centered cubic lattices

It is often computationally advantageous to model space as a discrete set of points forming a lattice grid. This technique is particularly useful for computationally difficult problems such as quantum many-body systems. For reasons of simplicity and familiarity, nearly all quantum many-body calculations have been performed on simple cubic lattices. Since the removal of lattice artifacts is often an important concern, it would be useful to perform calculations using more than one lattice geometry. In this paper we show how to perform quantum many-body calculations using auxiliary-field Monte Carlo simulations on a three-dimensional body-centered cubic (BCC) lattice. As a benchmark test we compute the ground state energy of 33 spin-up and 33 spin-down neutrons in the unitary limit, which is an idealized limit where the interaction range is zero and scattering length is infinite. As a fraction of the free Fermi gas energy E FG , we find that the ground state energy is E 0 /E FG =0.369(2),0.371(2), using two different definitions of the finite-system energy ratio. This is in excellent agreement with recent results obtained on a cubic lattice [He et al., Phys. Rev. A 101, 063615 (2020)]. We find that the computational effort and performance on a BCC lattice is approximately the same as that for a cubic lattice with the same number of lattice points. We discuss how the lattice simulations with different geometries can be used to constrain the size of lattice artifacts in simulations of continuum quantum many-body systems.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Experimental Characterization of High-Surface Area Thermal Energy Storage

There is growing interest in energy storage technologies due to the expansion of renewable energy sources that are inherently intermittent and the increasing frequency of extreme weather events that disturb the power grid. Power consumption in buildings makes up approximately 76% of all electricity usage on the grid and is primarily used for thermal applications such as space conditioning, hot water, and cooking. This makes thermal energy storage (TES) an ideal solution for many of these applications. Many TES technologies rely on latent energy storage, which utilizes the melting/solidification of phase change materials (PCM) to store energy. Typically, TES designs suffer from low power density due to their low inherent thermal conductivity. This limitation makes the deployment of TES in active applications difficult as the ease of access to energy is essential for effective use. Common routes for improving power density include high thermal conductivity additives or extended features such as fins that increase cost. This study presents an alternative approach to improving performance through increasing the overall surface area to volume ratio of the device, to increase the available area for convection to occur between the working fluid and PCM. In the study a commercial PCM was selected with a transition temperature ideal for space heating applications. The heat exchanger design utilizes a unique application of triply periodic minimal surfaces (TPMS) for macro-encapsulation of the PCM. The use of TPMS for heat exchangers has been growing in interest due to their high-surface area to volume ratios, which were previously unmanufacturable until the development of additive manufacturing. A modular system was designed and manufactured with a stereolithography resin printing system that is then backfilled with PCM. An experiment test set-up is designed to test the charge and discharge performance of the thermal storage using a conditioned air stream. The pressure drop of the design is tested across a variety of flow rates. When compared to existing experimental data within literature, there is excellent agreement based on the Reynolds number at similar hydraulic diameters. Several inlet temperatures are tested at consistent temperature differences from the phase change temperature for both charging and discharging. Additionally, the volumetric flow rate is varied for each temperature set point. It was found that increasing flow rate had diminishing returns in reducing the overall charge time of the TES. The temperature delta from the melting temperature was the primary contributor to the change in average heat flux with limited variation in average heat transfer rate between charging and discharging at similar inlet temperatures and flow rates. The TPMS heat exchanger design has a high air-side pressure drop but it provides high heat transfer rates. This helps maintain a high outlet temperature during discharge, which is important to thermal comfort applications. The design, manufacturing, and experimental characterization of the TES device will be presented as part of this study.

25 ENERGY STORAGE↗
NASA NTRS1975

Three-dimensional time dependent computation of turbulent flow

The three-dimensional, primitive equations of motion are solved numerically for the case of isotropic box turbulence and the distortion of homogeneous turbulence by irrotational plane strain at large Reynolds numbers. A Gaussian filter is applied to governing equations to define the large scale field. This gives rise to additional second order computed scale stresses (Leonard stresses). The residual stresses are simulated through an eddy viscosity. Uniform grids are used, with a fourth order differencing scheme in space and a second order Adams-Bashforth predictor for explicit time stepping. The results are compared to the experiments and statistical information extracted from the computer generated data.

Kwak, D.↗
NASA NTRS1983

Intrinsic adaptive mesh techniques

An alternating direction adaptive grid movement code was developed and a thesis adaptive angular meshes was directed. The alternating direction code was also established on the NASA Langley computer system and is available for use there. In essence, grid points are moved on an abstract surface above physical space by means of alternating coordinate directions. The abstract surface is formed with the salient solution properties if they can be extracted by a priori physical reasoning; or otherwise, in the absence of such reasoning, by the use of error estimates in some chosen norm. Upon formulation, all important driving properties for adaptive purposes are consolidated into one object - the abstract surface. At a basic level, a uniform distribution of surface points is equivalent to gradient resolution. This arises from a projection back down into physical space. At a higher level, a more accurate view of the abstract surface is obtained when changes in surface direction are also resolved. The appropriate measure for direction changes is normal curvature. It is defined as the rate of change of surface tangent planes as a surface coordinate curve is transversed in uniform increments of arc length.

Eiseman, P. R.↗
NASA NTRS1985

NPLOT: an Interactive Plotting Program for NASTRAN Finite Element Models

The NPLOT (NASTRAN Plot) is an interactive computer graphics program for plotting undeformed and deformed NASTRAN finite element models. Developed at NASA's Goddard Space Flight Center, the program provides flexible element selection and grid point, ASET and SPC degree of freedom labelling. It is easy to use and provides a combination menu and command driven user interface. NPLOT also provides very fast hidden line and haloed line algorithms. The hidden line algorithm in NPLOT proved to be both very accurate and several times faster than other existing hidden line algorithms. A fast spatial bucket sort and horizon edge computation are used to achieve this high level of performance. The hidden line and the haloed line algorithms are the primary features that make NPLOT different from other plotting programs.

Jones, G. K.↗
NASA NTRS1990

The derivation of a sub-canopy digital terrain model of a flooded forest using synthetic aperture radar

Synthetic aperture radar data from the Shuttle Imaging Radar-B Mission were combined with the tide surface information to create a digital terrain model for a 70-km by 40-km section of the Mouths of the Ganges forests in southern Bangladesh. The dominance of the interaction phenomenon (canopy to surface or surface to canopy reflection) in flooded forests was exploited to create sub-canopy flood boundary maps for two different tide times. The boundary maps were digitally combined in x, y, z space with tide elevation models created from tide gauge data gridding the survey site and used as input to interpolation routines to create a terrain model. The end product represents a significant step in our ability to characterize the topography and hydrology of wetland ecosystems. The model derived here can be used for simulating tidal flow and nutrient transport from the forest to the marine habitat.

Imhoff, Marc Lee↗
NASA NTRS2002

Convective Systems Over the South China Sea: Cloud-Resolving Model Simulations

The South China Sea Monsoon Experiment (SCSMEX) was conducted in May-June 1998. One of its major objectives is to better understand the key physical processes for the onset and evolution of the summer monsoon over Southeast Asia and southern China. Multiple observation platforms (e.g., upper-air soundings, Doppler radar, ships, wind profilers, radiometers, etc.) during SCSMEX provided a first attempt at investigating the detailed characteristics of convective storms and air pattern changes associated with monsoons over the South China Sea region. SCSMEX also provided rainfall estimates which allows for comparisons with those obtained from the Tropical Rainfall Measuring Mission (TRMM), a low earth orbit satellite designed to measure rainfall from space. The Goddard Cumulus Ensemble (GCE) model (with 1-km grid size) is used to understand and quantify the precipitation processes associated with the summer monsoon over the South China Sea. This is the first (loud-resolving model used to simulate precipitation processes in this particular region. The GCE-model results captured many of the observed precipitation characteristics because it used a fine grid size. For example, the temporal variation of the simulated rainfall compares quite well to the sounding-estimated rainfall variation. The time and domain-averaged temperature (heating/cooling) and water vapor (drying/ moistening) budgets are in good agreement with observations. The GCE-model-simulated rainfall amount also agrees well with TRMM rainfall data. The results show there is more evaporation from the ocean surface prior to the onset of the monsoon than after the on-~et of monsoon when rainfall increases. Forcing due to net radiation (solar heating minus longwave cooling) is responsible for about 25% of the precipitation in SCSMEX The transfer of heat from the ocean into the atmosphere does not contribute significantly to the rainfall in SCSMEX. Model sensitivity tests indicated that total rain production is reduced 17-18% in runs neglecting the ice phase. The SCSMEX results are compared to other GCE-model-simulated weather systems that developed during other field campaigns (i.e., west Pacific warm pool region, eastern Atlantic region and central USA). Large-scale forcing vie temperature and water vapor tendency, is the major energy source for net condensation in the tropical cases. The effects of large-scale cooling exceed that of large-scale moistening in the west pacific warm pool region and eastern Atlantic region. For SCSMEX, however, the effects of large-scale moistening predominate. Net radiation and sensible and latent hc,it fluxes play a much more important role in the central USA.

Tao, Wei-Kuo↗
NASA NTRS2004

Demonstration Of Ultra HI-FI (UHF) Methods

Computational aero-acoustics (CAA) requires efficient, high-resolution simulation tools. Most current techniques utilize finite-difference approaches because high order accuracy is considered too difficult or expensive to achieve with finite volume or finite element methods. However, a novel finite volume approach (Ultra HI-FI or UHF) which utilizes Hermite fluxes is presented which can achieve both arbitrary accuracy and fidelity in space and time. The technique can be applied to unstructured grids with some loss of fidelity or with multi-block structured grids for maximum efficiency and resolution. In either paradigm, it is possible to resolve ultra-short waves (less than 2 PPW). This is demonstrated here by solving the 4th CAA workshop Category 1 Problem 1.

Dyson, Rodger W.↗
NASA NTRS2003

Development of a Thin Film Solar Cell Interconnect for the Powersphere Concept

Progressive development of microsatellite technologies has resulted in increased demand for lightweight electrical power subsystems including solar arrays. The use of thin film photovoltaics has been recognized as a key solution to meet the power needs. The lightweight cells can generate sufficient power and still meet critical mass requirements. Commercially available solar cells produced on lightweight substrates are being studied as an option to fulfill the power needs. The commercially available solar cells are relatively inexpensive and have a high payoff potential. Commercially available thin film solar cells are primarily being produced for terrestrial applications. The need to convert the solar cell from a terrestrial to a space compatible application is the primary challenge. Solar cell contacts, grids and interconnects need to be designed to be atomic oxygen resistant and withstand rapid thermal cycling environments. A mechanically robust solar cell interconnect is also required in order to withstand handling during fabrication and survive during launch. The need to produce the solar cell interconnects has been identified as a primary goal of the Powersphere program and is the topic of this paper. Details of the trade study leading to the final design involving the solar cell wrap around contact, flex blanket, welding process, and frame will be presented at the conference.

Simburger, Edward J.↗
NASA NTRS2005

Computational Study of Separating Flow in a Planar Subsonic Diffuser

A computational study of the separated flow through a 2-D asymmetric subsonic diffuser has been performed. The Wind Computational Fluid Dynamics code is used to predict the separation and reattachment behavior for an incompressible diffuser flow. The diffuser inlet flow is a two-dimensional, turbulent, and fully-developed channel flow with a Reynolds number of 20,000 based on the centerline velocity and the channel height. Wind solutions computed with the Menter SST, Chien k-epsilon, Spalart-Allmaras and Explicit Algebraic Reynolds Stress turbulence models are compared with experimentally measured velocity profiles and skin friction along the upper and lower walls. In addition to the turbulence model study, the effects of grid resolution and use of wall functions were investigated. The grid studies varied the number of grid points across the diffuser and varied the initial wall spacing from y(sup +) = 0.2 to 60. The wall function study assessed the applicability of wall functions for analysis of separated flow. The SST and Explicit Algebraic Stress models provide the best agreement with experimental data, and it is recommended wall functions should only be used with a high level of caution.

DalBello, Teryn↗
NASA NTRS2009

Towards an "All Speed" Unstructured Upwind Scheme

In the authors previous studies [1], a time-accurate, upwind finite volume method (ETAU scheme) for computing compressible flows on unstructured grids was proposed. The scheme is second order accurate in space and time and yields high resolution in the presence of discontinuities. The scheme features a multidimensional limiter and multidimensional numerical dissipation. These help to stabilize the numerical process and to overcome the annoying pathological behaviors of upwind schemes. In the present paper, it will be further shown that such multidimensional treatments also lead to a nearly all-speed or Mach number insensitive upwind scheme. For flows at very high Mach number, e.g., 10, local numerical instabilities or the pathological behaviors are suppressed, while for flows at very low Mach number, e.g., 0.02, computation can be directly carried out without invoking preconditioning. For flows in different Mach number regimes, i.e., low, medium, and high Mach numbers, one only needs to adjust one or two parameters in the scheme. Several examples with low and high Mach numbers are demonstrated in this paper. Thus, the ETAU scheme is applicable to a broad spectrum of flow regimes ranging from high supersonic to low subsonic, appropriate for both CFD (computational fluid dynamics) and CAA (computational aeroacoustics).

Loh, Ching Y.↗
NASA NTRS2010

Community-Based Services that Facilitate Interoperability and Intercomparison of Precipitation Datasets from Multiple Sources

Over the past 12 years, large volumes of precipitation data have been generated from space-based observatories (e.g., TRMM), merging of data products (e.g., gridded 3B42), models (e.g., GMAO), climatologies (e.g., Chang SSM/I derived rain indices), field campaigns, and ground-based measuring stations. The science research, applications, and education communities have greatly benefited from the unrestricted availability of these data from the Goddard Earth Sciences Data and Information Services Center (GES DISC) and, in particular, the services tailored toward precipitation data access and usability. In addition, tools and services that are responsive to the expressed evolving needs of the precipitation data user communities have been developed at the Precipitation Data and Information Services Center (PDISC) (http://disc.gsfc.nasa.gov/precipitation or google NASA PDISC), located at the GES DISC, to provide users with quick data exploration and access capabilities. In recent years, data management and access services have become increasingly sophisticated, such that they now afford researchers, particularly those interested in multi-data set science analysis and/or data validation, the ability to homogenize data sets, in order to apply multi-variant, comparison, and evaluation functions. Included in these services is the ability to capture data quality and data provenance. These interoperability services can be directly applied to future data sets, such as those from the Global Precipitation Measurement (GPM) mission. This presentation describes the data sets and services at the PDISC that are currently used by precipitation science and applications researchers, and which will be enhanced in preparation for GPM and associated multi-sensor data research. Specifically, the GES-DISC Interactive Online Visualization ANd aNalysis Infrastructure (Giovanni) will be illustrated. Giovanni enables scientific exploration of Earth science data without researchers having to perform the complicated data access and match-up processes. In addition, PDISC tool and service capabilities being adapted for GPM data will be described, including the Google-like Mirador data search and access engine; semantic technology to help manage large amounts of multi-sensor data and their relationships; data access through various Web services (e.g., OPeNDAP, GDS, WMS, WCS); conversion to various formats (e.g., netCDF, HDF, KML (for Google Earth)); visualization and analysis of Level 2 data profiles and maps; parameter and spatial subsetting; time and temporal aggregation; regridding; data version control and provenance; continuous archive verification; and expertise in data-related standards and interoperability. The goal of providing these services is to further the progress towards a common framework by which data analysis/validation can be more easily accomplished.

Liu, Zhong↗
NASA NTRS2004

Error Modeling of Multibaseline Optical Truss: Part 1: Modeling of System Level Performance

Global astrometry is the measurement of stellar positions and motions. These are typically characterized by five parameters, including two position parameters, two proper motion parameters, and parallax. The Space Interferometry Mission (SIM) will derive these parameters for a grid of approximately 1300 stars covering the celestial sphere to an accuracy of approximately 4uas, representing a two orders of magnitude improvement over the most precise current star catalogues. Narrow angle astrometry will be performed to a 1uas accuracy. A wealth of scientific information will be obtained from these accurate measurements encompassing many aspects of both galactic (and extragalactic science. SIM will be subject to a number of instrument errors that can potentially degrade performance. Many of these errors are systematic in that they are relatively static and repeatable with respect to the time frame and direction of the observation. This paper and its companion define the modeling of the, contributing factors to these errors and the analysis of how they impact SIM's ability to perform astrometric science.

meterology modeling↗
NASA NTRS2014

Toward Improved Land Surface Initialization in Support of Regional WRF Forecasts at the Kenya Meteorological Service (KMS)

Flooding and drought are two key forecasting challenges for the Kenya Meteorological Service (KMS). Atmospheric processes leading to excessive precipitation and/or prolonged drought can be quite sensitive to the state of the land surface, which interacts with the planetary boundary layer (PBL) of the atmosphere providing a source of heat and moisture. The development and evolution of precipitation systems are affected by heat and moisture fluxes from the land surface, particularly within weakly-sheared environments such as in the tropics and sub-tropics. These heat and moisture fluxes during the day can be strongly influenced by land cover, vegetation, and soil moisture content. Therefore, it is important to represent the land surface state as accurately as possible in land surface and numerical weather prediction (NWP) models. Enhanced regional modeling capabilities have the potential to improve forecast guidance in support of daily operations and high-impact weather over eastern Africa. KMS currently runs a configuration of the Weather Research and Forecasting (WRF) NWP model in real time to support its daily forecasting operations, making use of the NOAA/National Weather Service (NWS) Science and Training Resource Center's Environmental Modeling System (EMS) to manage and produce the KMS-WRF runs on a regional grid over eastern Africa. Two organizations at the NASA Marshall Space Flight Center in Huntsville, AL, SERVIR and the Shortterm Prediction Research and Transition (SPoRT) Center, have established a working partnership with KMS for enhancing its regional modeling capabilities through new datasets and tools. To accomplish this goal, SPoRT and SERVIR is providing enhanced, experimental land surface initialization datasets and model verification capabilities to KMS as part of this collaboration. To produce a land-surface initialization more consistent with the resolution of the KMS-WRF runs, the NASA Land Information System (LIS) is run at a comparable resolution to provide real-time, daily soil initialization data in place of data interpolated from the National Centers for Environmental Prediction (NCEP) Global Forecast System (GFS) model soil moisture and temperature fields. Additionally, realtime green vegetation fraction (GVF) data from the Visible Infrared Imaging Radiometer Suite (VIIRS) on the Suomi National Polar-orbiting Partnership (Suomi- NPP) satellite will be incorporated into the KMS-WRF runs, once it becomes publicly available from the National Environmental Satellite Data and Information Service (NESDIS). Finally, model verification capabilities will be transitioned to KMS using the Model Evaluation Tools (MET; Brown et al. 2009) package in conjunction with a dynamic scripting package developed by SPoRT (Zavodsky et al. 2014), to help quantify possible improvements in simulated temperature, moisture and precipitation resulting from the experimental land surface initialization. Furthermore, the transition of these MET tools will enable KMS to monitor model forecast accuracy in near real time. This paper presents preliminary efforts to improve land surface model initialization over eastern Africa in support of operations at KMS. The remainder of this extended abstract is organized as follows: The collaborating organizations involved in the project are described in Section 2; background information on LIS and the configuration for eastern Africa is presented in Section 3; the WRF configuration used in this modeling experiment is described in Section 4; sample experimental WRF output with and without LIS initialization data are given in Section 5; a summary is given in Section 6 followed by acknowledgements and references.

Case, Johnathan L.↗
DOE OSTI2024

Evaluation of RANS vs. LES simulation of fluid flow through 3 × 3 rod bundle with a simple spacer grid as a precursor to coupled fluid–structure interaction simulations

The research literature on Computational Fluid Dynamics (CFD) of coolant flow through rod bundles with spacer-grids and mixing vanes is replete, ranging from high fidelity Large Eddy Simulation (LES)/Direct Numerical Simulation (DNS) simulations to Reynolds-Averaged Navier–Stokes (RANS) modeled studies. The mixing of flow between subchannels and the pressure drop through the bundle are fundamental quantities useful for comparing and evaluating CFD methods. Less commonly observed and compared are the forces exerted onto the structure by the fluid. The present study seeks to evaluate the use of RANS simulations for predicting the structural response to fluid flow. Wall resolved RANS simulations are benchmarked against LES simulations of fluid flow at a Reynolds number of 15,000 through a 3 × 3 fuel rod bundle with a simple spacer grid. Velocity line-plots are compared showing good agreement between RANS and LES results, ascertaining that the former is capable of capturing the essential time-averaged velocity profile. Additionally, the distribution of forces on the spacer grid and fuel rods are collected as a function of time and space. The RANS methods are evaluated using the frequency and magnitude of the fluctuating forces on various portions of the structure as compared to LES. In conclusion, the power spectral density evaluation of the models reveal underprediction of force amplitude on the rod walls by RANS and also discrepancy in the prediction of high frequency spectra, especially in the immediate vicinity of spacer-grid structure, which may be attributed to the lack of random turbulence fluctuation or insufficient modeling of small-scale eddies in RANS simulation.

FIV↗