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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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NASA NTRS1997

Visual Computing Environment

The Visual Computing Environment (VCE) is a NASA Lewis Research Center project to develop a framework for intercomponent and multidisciplinary computational simulations. Many current engineering analysis codes simulate various aspects of aircraft engine operation. For example, existing computational fluid dynamics (CFD) codes can model the airflow through individual engine components such as the inlet, compressor, combustor, turbine, or nozzle. Currently, these codes are run in isolation, making intercomponent and complete system simulations very difficult to perform. In addition, management and utilization of these engineering codes for coupled component simulations is a complex, laborious task, requiring substantial experience and effort. To facilitate multicomponent aircraft engine analysis, the CFD Research Corporation (CFDRC) is developing the VCE system. This system, which is part of NASA's Numerical Propulsion Simulation System (NPSS) program, can couple various engineering disciplines, such as CFD, structural analysis, and thermal analysis. The objectives of VCE are to (1) develop a visual computing environment for controlling the execution of individual simulation codes that are running in parallel and are distributed on heterogeneous host machines in a networked environment, (2) develop numerical coupling algorithms for interchanging boundary conditions between codes with arbitrary grid matching and different levels of dimensionality, (3) provide a graphical interface for simulation setup and control, and (4) provide tools for online visualization and plotting. VCE was designed to provide a distributed, object-oriented environment. Mechanisms are provided for creating and manipulating objects, such as grids, boundary conditions, and solution data. This environment includes parallel virtual machine (PVM) for distributed processing. Users can interactively select and couple any set of codes that have been modified to run in a parallel distributed fashion on a cluster of heterogeneous workstations. A scripting facility allows users to dictate the sequence of events that make up the particular simulation.

Lawrence, Charles↗

NASA NTRSDate not supplied

Agent-based modeling of microbes in space

Space is tough on organisms. Microorganisms traveling to space experience stress from environmental features such as ionizing radiation and lack of normal microgravity; however, much remains unknown about the mechanisms by which those environmental features affect microbial physiology. Microbes experience changes in gravity not directly but rather through changes in their fluid environment, and deep-space particle radiation causes cell damage that is complex but rare. Computational modeling at the single-cell level (agent-based modeling) can allow us to probe the spatially heterogeneous processes that characterize space stresses, to gain insight into the relationships of microbial cells with their environments and with each other. Here we present two software packages for simulating microbial population dynamics in space conditions: CAMDLES and AMMPER. Microbes growing in liquid culture medium in the microgravity of an orbital space station experience a quiescent, poorly-mixed fluid environment. CAMDLES (CFD-DEM Artificial Microgravity Developments for Living Ecosystem Simulation) simultaneously simulates biological, chemical, and mechanical processes to predict microbial ecological dynamics in microgravity, and in the rotating culture vessels used to create an artificial microgravity environment in the lab. Initial results demonstrate that the growth of a cross-feeding microbial consortium, dependent on the exchange of soluble metabolites, is sensitive to the initial spatial distribution of cells, and grows differently in real versus artificial microgravity. Microbial populations exposed to deep-space radiation experience spatially and temporally heterogeneous damage from the traversal of high-energy particles. AMMPER (Agent-Based Model for Microbial Populations Exposed to Radiation) pairs a 3d model of energy deposition along a radiation particle track with a microbial population growth and damage model to predict the effects of localized radiation damage on population-level responses. It includes a user-friendly graphical interface. AMMPER results agree with experimental data indicating that indirect effects of radiation (reactive oxygen species generation, metabolic impairment) have a greater impact on microorganisms than direct effects (DNA damage).

Jessica A Lee↗

NASA NTRS2022

Agent-Based Modeling of Microbes in Space

Space is tough on organisms. Microorganisms traveling to space experience stress from environmental features such as ionizing radiation and lack of normal gravity, and much remains unknown about the mechanisms by which those environmental features affect microbial physiology. Microbes experience changes in gravity not directly but rather through changes in their fluid environment, and deep-space particle radiation causes cell damage that is complex but rare. Computational modeling at the single-cell level (agent-based modeling) can allow us to probe the spatially heterogeneous processes that characterize space stresses, to gain insight into the relationships of microbial cells with their environments and with each other. Here we present two software packages for simulating microbial population dynamics in space conditions: CAMDLES and AMMPER. Microbes growing in liquid culture medium in the microgravity of an orbital space station experience a quiescent, poorly-mixed fluid environment. CAMDLES (CFD-DEM Artificial Microgravity Developments for Living Ecosystem Simulation) simultaneously simulates biological, chemical, and mechanical processes to predict microbial ecological dynamics in microgravity, and in the rotating culture vessels used to create an artificial microgravity environment in the lab. Initial results demonstrate that the growth of a cross-feeding microbial consortium, dependent on the exchange of soluble metabolites, is sensitive to the initial spatial distribution of cells, and grows differently in real versus artificial microgravity. Microbial populations exposed to deep-space radiation experience spatially and temporally heterogeneous damage from the traversal of high-energy particles. AMMPER (Agent-Based Model for Microbial Populations Exposed to Radiation) pairs a 3d model of energy deposition along a radiation particle track with a microbial population growth and damage model to predict the effects of localized radiation damage on population-level responses. It includes a user-friendly graphical interface. AMMPER growth curves recapitulate experimental results, and allow comparison between direct effects (DNA damage) and indirect effects (reactive oxygen species generation, metabolic impairment) of radiation.

microbiology↗

NASA NTRS2004

Synthesizing 3D Surfaces from Parameterized Strip Charts

We believe 3D information visualization has the power to unlock new levels of productivity in the monitoring and control of complex processes. Our goal is to provide visual methods to allow for rapid human insight into systems consisting of thousands to millions of parameters. We explore this hypothesis in two complex domains: NASA program management and NASA International Space Station (ISS) spacecraft computer operations. We seek to extend a common form of visualization called the strip chart from 2D to 3D. A strip chart can display the time series progression of a parameter and allows for trends and events to be identified. Strip charts can be overlayed when multiple parameters need to visualized in order to correlate their events. When many parameters are involved, the direct overlaying of strip charts can become confusing and may not fully utilize the graphing area to convey the relationships between the parameters. We provide a solution to this problem by generating 3D surfaces from parameterized strip charts. The 3D surface utilizes significantly more screen area to illustrate the differences in the parameters and the overlayed strip charts, and it can rapidly be scanned by humans to gain insight. The selection of the third dimension must be a parallel or parameterized homogenous resource in the target domain, defined using a finite, ordered, enumerated type, and not a heterogeneous type. We demonstrate our concepts with examples from the NASA program management domain (assessing the state of many plans) and the computers of the ISS (assessing the state of many computers). We identify 2D strip charts in each domain and show how to construct the corresponding 3D surfaces. The user can navigate the surface, zooming in on regions of interest, setting a mark and drilling down to source documents from which the data points have been derived. We close by discussing design issues, related work, and implementation challenges.

Robinson, Peter I.↗

NASA NTRS2021

Molecular Dynamics Investigation of the Structural and Mechanical Properties of Off-Stoichiometric Epoxy Resins

Molecular dynamic (MD) simulations were performed to compute the mechanical properties of off-stoichiometric epoxy resins as a function of hardener/epoxy mixture ratio (r). Properties were characterized in relation to their microscopic structures. Such resins have been used recently for adhesive-free bonding of large-scale composite structures using the co-curing-ply method. In this process, two partially precured composite panels with hardener-poor (HP) off-stoichiometric resins are coupled with ply(ies) of complementary hardener-rich (HR) formulations and then cured simultaneously. This bonding process has the potential to produce reliable and certifiable composite joints without the need for additional fasteners, which are often required for many conventional bonding methods because even small amounts of contamination can cause a weak bond. The reflow and mixing of the HP/HR resin in this bonding process result in a joint with no discernable interface that should not be susceptible to surface contamination. However, incomplete mixing of the two offset resins may result in chemical heterogeneity of the cured polymeric joint. Thus, different r values may be obtained across the joint. Classical MD simulations were performed to compute the Young’s modulus of polymers with different r values and correlate their properties to network structures. High stiffness was associated with molecular packing due to chemical crosslinking, leading to a single network structure. Moreover, the networks became denser as the ratio approached the stoichiometric value r = 1. Thus, the r = 1 systems were single clusters, with high stiffness, high molecular weight, and a high degree of crosslinking. Structural properties such as radius of gyration and mean square displacement were determined to investigate the variation in the stiffness with respect to r. This MD simulation study was validated with experimental measurements.

Chang Woon Jang↗

DOE OSTI2026

Energy–Performance Trade-offs in Privacy-Preserving Federated Learning on SmartNIC-Enabled HPC Systems

Federated learning (FL) is increasingly deployed on accelerator-rich high-performance computing (HPC) systems, yet the system-level energy cost of privacy-aware FL remains poorly understood, particularly across heterogeneous networking and server-placement options. We present a measurement-driven study of energy–performance trade-offs for FL on GH200-class nodes across three deployment configurations: CPU-Ethernet, CPU-InfiniBand (RDMA-capable), and a DPU-hosted FL server over InfiniBand using a BlueField-3 SmartNIC/DPU. Using NVIDIA FLARE (NVFLARE), we align node-level power telemetry with per-round timing extracted from NVFLARE logs to quantify time-to-solution (TTS), energy-to-solution (ETS), energy-delay product (EDP), and synchronization behavior for three transformer models (ALBERT, DistilBERT, BERT), trained with and without differential privacy (DP). We find that interconnect choice is the dominant driver of runtime and energy: host-managed InfiniBand consistently reduces communication overhead versus Ethernet, yielding lower TTS/ETS/EDP. In contrast, in our NVFLARE deployment, placing the FL server on the DPU does not consistently match CPU-InfiniBand performance and can be slower—especially for larger models—highlighting that server placement alone is not sufficient to guarantee end-to-end gains. Finally, under our fixed-round protocol, DP increases per-round cost and runtime variance; ETS increases largely in proportion to TTS because average node power remains relatively stable across configurations.

Kotevska, Olivera [ORNL] (ORCID:0000000316772243)↗

NASA NTRS1989

Atmospheric correction of high resolution land surface images

Algorithms to correct for atmospheric-scattering effects in high-spatial resolution land-surface images require the ability to perform rapid and accurate computations of the top-of-atmosphere diffuse radiance field for arbitrarily general surface reflectance distributions (which may be both heterogeneous and non-Lambertian) and atmospheric models. Using three-dimensional radiative transfer (3DRT) theory algorithms are being developed. The methodology used to perform the 3DRT calculations is described. It is shown how these calculations are used to perform atmospheric corrections, and the sensitivity of the retrieved surface reflectances to atmospheric structural parameters is illustrated.

Diner, D. J.↗

NASA NTRS1994

The chemistry of bromine in the stratosphere: Influence of a new rate constant for the reaction BrO + HO2

The impact of new laboratory data for the reaction BrO + HO2 yields HOBr + O2 in the depletion of global stratospheric ozone has been estimated using a one-dimensional photochemical model taking into account the heterogeneous reaction on sulphate aerosols which converts N2O5 into HNO3. Assuring an aerosol loading 2 times as large as the 'background' and a reaction probability of 0.1 for the above heterogeneous reaction, the 6 fold increase in the measured rate constant for the reaction of BrO with HO2 increases the computed depletion of global ozone produced by 20 ppt of total bromine from 2.01 percent to 2.36 percent. The use of the higher rate constant increases the HOBr mixing ratio and makes the bromine partitioning and the ozone depletion very sensitive to the branching ratio of the potential channel forming HBr in the BrO + HO2 reaction.

Pirre, Michel↗

NASA NTRS1998

Developing Information Power Grid Based Algorithms and Software

This was an exploratory study to enhance our understanding of problems involved in developing large scale applications in a heterogeneous distributed environment. It is likely that the large scale applications of the future will be built by coupling specialized computational modules together. For example, efforts now exist to couple ocean and atmospheric prediction codes to simulate a more complete climate system. These two applications differ in many respects. They have different grids, the data is in different unit systems and the algorithms for inte,-rating in time are different. In addition the code for each application is likely to have been developed on different architectures and tend to have poor performance when run on an architecture for which the code was not designed, if it runs at all. Architectural differences may also induce differences in data representation which effect precision and convergence criteria as well as data transfer issues. In order to couple such dissimilar codes some form of translation must be present. This translation should be able to handle interpolation from one grid to another as well as construction of the correct data field in the correct units from available data. Even if a code is to be developed from scratch, a modular approach will likely be followed in that standard scientific packages will be used to do the more mundane tasks such as linear algebra or Fourier transform operations. This approach allows the developers to concentrate on their science rather than becoming experts in linear algebra or signal processing. Problems associated with this development approach include difficulties associated with data extraction and translation from one module to another, module performance on different nodal architectures, and others. In addition to these data and software issues there exists operational issues such as platform stability and resource management.

Dongarra, Jack↗

NASA NTRS2001

XML-Based Visual Specification of Multidisciplinary Applications

The advancements in the Internet and Web technologies have fueled a growing interest in developing a web-based distributed computing environment. We have designed and developed Arcade, a web-based environment for designing, executing, monitoring, and controlling distributed heterogeneous applications, which is easy to use and access, portable, and provides support through all phases of the application development and execution. A major focus of the environment is the specification of heterogeneous, multidisciplinary applications. In this paper we focus on the visual and script-based specification interface of Arcade. The web/browser-based visual interface is designed to be intuitive to use and can also be used for visual monitoring during execution. The script specification is based on XML to: (1) make it portable across different frameworks, and (2) make the development of our tools easier by using the existing freely available XML parsers and editors. There is a one-to-one correspondence between the visual and script-based interfaces allowing users to go back and forth between the two. To support this we have developed translators that translate a script-based specification to a visual-based specification, and vice-versa. These translators are integrated with our tools and are transparent to users.

Al-Theneyan, Ahmed↗

DOE OSTI2025

Fair Concurrent Training of Multiple Models in Federated Learning

Federated learning (FL) enables collaborative learning across multiple clients. In most FL work, all clients train a single learning task. However, the recent proliferation of FL applications may increasingly require multiple FL tasks to be trained simultaneously, sharing clients’ computing resources, which we call Multiple-Model Federated Learning (MMFL). Current MMFL algorithms use naïve average-based client-task allocation schemes that often lead to unfair performance when FL tasks have heterogeneous difficulty levels, as the more difficult tasks may need more client participation to train effectively. Furthermore, in the MMFL setting, we face a further challenge that some clients may prefer training specific tasks to others, and may not even be willing to train other tasks, e.g., due to high computational costs, which may exacerbate unfairness in training outcomes across tasks. We address both challenges by firstly designing FedFairMMFL, a difficulty-aware algorithm that dynamically allocates clients to tasks in each training round, based on the tasks’ current performance levels. We provide guarantees on the resulting task fairness and FedFairMMFL’s convergence rate. We then propose novel auction designs that incentivizes clients to train multiple tasks, so as to fairly distribute clients’ training efforts across the tasks, and extend our convergence guarantees to this setting. Here, we finally evaluate our algorithm with multiple sets of learning tasks on real world datasets, showing that our algorithm improves fairness by improving the final model accuracy and convergence speed of the worst performing tasks, while maintaining the average accuracy across tasks.

Federated learning↗

DOE OSTI2024

Polysulfide-incompatible additive suppresses spatial reaction heterogeneity of Li-S batteries

Rational electrolyte engineering for practical pouch cells remains elusive because the correlation between the cathode/solid-electrolyte interphase layer and cell-level reaction behavior is poorly understood. Here, by combining multiscale characterization and computational modeling, we show that—counter to the conventional perception of polysulfide-incompatible additives—the spontaneous reaction of sparingly solvated polysulfides with Lewis acid additives (LAAs) can induce in situ formation of a homogeneous interphase on thick and tortuous S cathode. Multiscale synchrotron X-ray characterization consistently affirms that such interface design could effectively eliminate the notorious problems of polysulfide shuttle and lithium corrosion and, more importantly, provide an interconnected “ion transport highway” to alleviate the uneven ion transport within the tortuous S cathode. Hence, this design dramatically reduces the reaction heterogeneity of lithium-sulfur (Li-S) pouch cells under lean electrolyte conditions. Further, this work resolves controversy around the role of polysulfide-incompatible additives in high-energy Li-S pouch cells and highlights the importance of suppressing reaction heterogeneity for practical batteries.

36 MATERIALS SCIENCE↗

NASA NTRS2011

Allowing for Horizontally Heterogeneous Clouds and Generalized Overlap in an Atmospheric GCM

While fully accounting for 3D effects in Global Climate Models (GCMs) appears not realistic at the present time for a variety of reasons such as computational cost and unavailability of 3D cloud structure in the models, incorporation in radiation schemes of subgrid cloud variability described by one-point statistics is now considered feasible and is being actively pursued. This development has gained momentum once it was demonstrated that CPU-intensive spectrally explicit Independent Column Approximation (lCA) can be substituted by stochastic Monte Carlo ICA (McICA) calculations where spectral integration is accomplished in a manner that produces relatively benign random noise. The McICA approach has been implemented in Goddard's GEOS-5 atmospheric GCM as part of the implementation of the RRTMG radiation package. GEOS-5 with McICA and RRTMG can handle horizontally variable clouds which can be set via a cloud generator to arbitrarily overlap within the full spectrum of maximum and random both in terms of cloud fraction and layer condensate distributions. In our presentation we will show radiative and other impacts of the combined horizontal and vertical cloud variability on multi-year simulations of an otherwise untuned GEOS-5 with fixed SSTs. Introducing cloud horizontal heterogeneity without changing the mean amounts of condensate reduces reflected solar and increases thermal radiation to space, but disproportionate changes may increase the radiative imbalance at TOA. The net radiation at TOA can be modulated by allowing the parameters of the generalized overlap and heterogeneity scheme to vary, a dependence whose behavior we will discuss. The sensitivity of the cloud radiative forcing to the parameters of cloud horizontal heterogeneity and comparisons of CERES-derived forcing will be shown.

Lee, D.↗

NASA NTRS1973

Orbital design strategy for domestic communication satellite systems.

Review of some of the considerations pertinent to efficient orbit utilization in the design of domestic communications satellite systems. A strategy is developed to efficiently locate a heterogeneous system of satellites within the available arc and provide room for future growth. A practical design is illustrated, using a computer simulation model, for the placement of 25 satellites within 73% of the available arc employing frequency and polarization coordination techniques. A number of widely variable factors that influence satellite spacing are examined. These factors include such critical system elements as telephony and television interference noise limits, frequency plan coordination, polarization plan coordination, ground antenna diameter, signal protection ratio, and satellite station keeping.

Ramji, S.↗

NASA NTRS1976

HEP - A semaphore-synchronized multiprocessor with central control

The paper describes the design concept of the Heterogeneous Element Processor (HEP), a system tailored to the special needs of scientific simulation. In order to achieve high-speed computation required by simulation, HEP features a hierarchy of processes executing in parallel on a number of processors, with synchronization being largely accomplished by hardware. A full-empty-reserve scheme of synchronization is realized by zero-one-valued hardware semaphores. A typical system has, besides the control computer and the scheduler, an algebraic module, a memory module, a first-in first-out (FIFO) module, an integrator module, and an I/O module. The architecture of the scheduler and the algebraic module is examined in detail.

Gilliland, M. C.↗

NASA NTRS1990

Experience with abstract notation one

The development of computer science has produced a vast number of machine architectures, programming languages, and compiler technologies. The cross product of these three characteristics defines the spectrum of previous and present data representation methodologies. With regard to computer networks, the uniqueness of these methodologies presents an obstacle when disparate host environments are to be interconnected. Interoperability within a heterogeneous network relies upon the establishment of data representation commonality. The International Standards Organization (ISO) is currently developing the abstract syntax notation one standard (ASN.1) and the basic encoding rules standard (BER) that collectively address this problem. When used within the presentation layer of the open systems interconnection reference model, these two standards provide the data representation commonality required to facilitate interoperability. The details of a compiler that was built to automate the use of ASN.1 and BER are described. From this experience, insights into both standards are given and potential problems relating to this development effort are discussed.

Harvey, James D.↗

NASA NTRS2015

Mapping Biophysical Parameters for Land Surface Modeling over the Continental US Using MODIS and Landsat

In terms of the space cities occupy, urbanization appears as a minor land transformation. However, it permanently modifies land's ecological functions, altering its carbon, energy, and water fluxes. It is therefore necessary to develop a land cover characterization at fine spatial and temporal scales to capture urbanization's effects on surface fluxes. We develop a series of biophysical vegetation parameters such as the fraction of photosynthetically active radiation, leaf area index, vegetation greenness fraction, and roughness length over the continental US using MODIS and Landsat products for 2001. A 13-class land cover map was developed at a climate modeling grid (CMG) merging the 500mMODIS land cover and the 30m impervious surface area from the National Land Cover Database. The landscape subgrid heterogeneity was preserved using fractions of each class from the 500 m and 30 m into the CMG. Biophysical parameters were computed using the 8-day composite Normalized Difference Vegetation Index produced by the North American Carbon Program. In addition to urban impact assessments, this dataset is useful for the computation of surface fluxes in land, vegetation, and urban models and is expected to be widely used in different land cover and land use change applications.

Biophysical↗

DOE OSTI2026

Stress and Strain Heterogeneity and Persistence in Uniaxially‐ and Triaxially‐Loaded Sandstone

Two critical questions in brittle rock mechanics are how rocks developed localized strains and to what extent internal stress heterogeneity controls this localization and subsequent macroscopic failure. Definitive answers have not yet been found, but would provide insight into rock fracture mechanics as relevant to hydrocarbon extraction and sequestration. Here, we use synchrotron X‐ray tomography (XRT) and 3D X‐ray diffraction (3DXRD) during uniaxial and triaxial tests on Nugget and Bentheimer sandstones to examine strain and stress localization prior to mechanical failure. 3DXRD was used to measure intra‐granular lattice strains which were used to compute elastic stress tensors of each grain. Digital volume correlation (DVC) was applied to XRT images to determine the strain field in the sample. Both samples featured marked spatial heterogeneity, localization, and temporal persistence of elevated stresses and strains during their mechanical deformation toward failure. Both samples featured a majority of grains with at least one principal stress component that was tensile, a signature of the influence of heterogeneity on stress transmission. Measurements further revealed that compressive stress orientations and statistics evolved in a similar manner to those of inter‐particle forces in loose granular materials, with triaxially‐compressed rock exhibiting enhanced grain stress heterogeneity compared to uniaxially‐compressed rock. Our results complement recent work by others who employed XRT and scanning 3DXRD to study triaxially‐compressed sandstone, but extend those results to uniaxial compression, sandstones of varied porosity, and grain stress measurements throughout the 3D full extent of the samples rather than in a single layer examined with scanning 3DXRD.

58 GEOSCIENCES↗