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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 1,585 records · Page 88

A novel conditional generative model for efficient ensemble forecasts of state variables in large-scale geological carbon storage

Integrating monitoring data to efficiently update reservoir pressure and CO 2 plume distribution forecasts presents a significant challenge in geological carbon storage (GCS) applications. Inverse modeling techniques are commonly used to fuse observational data and refine reservoir model parameters, thereby improving state variable forecasts. However, these techniques often rely on linear or Gaussian assumptions, which can limit their effectiveness in accurately predicting state variables. Moreover, simulating large-scale three-dimensional (3D) GCS problems is computationally expensive, making iterative runs in inverse problems prohibitive. To address these challenges, we propose a conditional generative model utilizing the score-based diffusion method for real-time 3D pressure and saturation field distribution predictions. Our approach involves solving the score function with a mini-batch-based Monte Carlo estimator to generate labeled data. This data is subsequently employed to train a fully connected neural network, enabling it to learn the conditional sample generator within a supervised learning framework. This method enables the rapid generation of a large ensemble of predictions, facilitating comprehensive uncertainty quantification of state variables. Here we applied our method to forecast the dynamic 3D distributions of pressure and saturation fields over a 30-year injection period. The statistical assessment with low root mean square error (RMSE) values demonstrates that our method can accurately predict the spatiotemporal distributions of both pressure and saturation fields. Moreover, the developed conditional generative model shows high computational efficiency by generating 100 ensemble forecasts of 3D state variables in less than 10 min. The consistency between ensemble averages and ground truth values further illustrates the model’s capability to capture state variable dynamics during the CO 2 plume injection process. Notably, the ground truth values fall within the ensemble forecasts, indicating that our uncertainty quantification effectively captures variability and potential noise in the observations. Thus, the developed conditional generative model proves to be a more efficient, accurate, and practical tool for GCS applications, facilitating timely risk analysis and informed decision-making.

58 GEOSCIENCES↗

A method for three-dimensional modeling of wind-shear environments for flight simulator applications

A computational method for modeling severe wind shears of the type that have been documented during severe convective atmospheric conditions is offered for use in research and training flight simulation. The procedure was developed with the objectives of operational flexibility and minimum computer load. From one to five, simple down burst wind models can be configured and located to produce the wind field desired for specific simulated flight scenarios. A definition of related turbulence parameters is offered as an additional product of the computations. The use of the method to model several documented examples of severe wind shear is demonstrated.

Bray, R. S.↗

RMACXX: An Efficient High-Level C++ Interface over MPI-3 RMA

Parallel scientific applications can benefit from de- coupling communication and synchronization. One-sided pro- gramming abstractions, which separate communication from syn- chronization, have in fact served as a motivation for partitioned global address space (PGAS) models. However, the use of PGAS models in application codes in a manner that fully exploits the benefit of these programming models requires significant development effort. Meanwhile, a vast majority of scientific codes already use the Message Passing Interface (MPI) and need convenient features to support application-specific one-sided communication scenarios. MPI Remote Memory Access (RMA) can be employed for this purpose. MPI is a low-level API, however, and developing applications with MPI RMA requires programmers to be well versed in its nuances. We present RMACXX, a compact set of C++ bindings to MPI-3 RMA, to ease the use of MPI RMA. Unlike other PGAS models, which may have interoperability issues with MPI, RMACXX is written on top of MPI and uses the same runtime as MPI. The basic functionality of RMACXX adds only a relatively small number of extra instructions (about 20) to the critical communication path. Moreover, RMACXX provides an intuitive API for building a wide variety of scientific applications while enjoying performance matching handwritten MPI-3 RMA codes.

MPI-3 RMA, one-sided communication, PGAS, C++, exp↗

Measurement of DC Arc-Flash Incident Energy in Large-Scale Photovoltaic Plants: A Basis for Standardization

The deployment of high-power dc equipment is increasing in solar photovoltaic (PV) plants, but very few studies have quantified dc arc-flash risks. Currently, PV plant owners and operators rely on theoretical, simplified models, such as those in NFPA-70E and other publications, for the assessment of risk associated with dc arc-flash. Here, this article presents an overview of arc-flash risks in a PV system based on a series of field experiments based on IEEE-1584 in two large-scale ground-mounted PV plants. The experiments include various high-power dc equipment of a PV plant, such as central inverters, combiner boxes, recombiner boxes, string inverters, and multiple configurations of electrodes in a 20-in calibration cube. The study reveals that none of the available dc arc-flash models are applicable for a PV plant. This work is an important first step toward developing an improved model that more accurately assesses dc arc-flash risk in a PV plant.

14 SOLAR ENERGY↗

Evaluating the potential for bird‐habitat models to support biodiversity‐friendly urban planning

Abstract Urban expansion poses a major threat to wildlife populations. Biodiversity‐friendly urban landscapes could deliver benefits for both wildlife and people, by incorporating conservation and ecosystem services objectives. Well‐designed urban developments could also soften the ecological impacts of urbanization. However, delivering urban landscapes that integrate biodiversity requirements effectively remains challenging. Ecological models, designed to predict wildlife population responses to alternative urban designs, could prove effective in supporting the creation of biodiversity‐friendly urban landscapes. Here, we combine national‐scale bird abundance data with high resolution, spatially explicit habitat data to characterize relationships between bird densities and urban landscape form in Britain. From these analyses and cross validation, we evaluate the potential for well‐parameterized, species‐specific models to be used to predict bird densities in novel or modified urban areas. Our analyses indicate that responses of bird abundance to urban habitat are species‐specific and complex, with few variables consistently affecting a large proportion of species. However, contiguous areas of greenspace within urban sites are preferential for accommodating breeding birds, compared to a more fragmented arrangement of multiple, small greenspace patches. In combination, the bird‐habitat relationships identified could successfully predict observed variation in abundance for most bird species considered. Further evaluation of habitat descriptor variables, spatial scales of species' habitat use and analytical modelling approaches may be needed to improve the predictive ability of bird‐habitat models for certain species, particularly waterbirds and those observed less frequently in urban areas. Synthesis and applications . We modelled breeding bird abundance in built‐up areas with respect to the characteristics and contexts of urban environments. While most variables were important for multiple species, responses overall were species‐specific, so simple assemblage metrics, like diversity, will not describe the variation in bird communities well. However, the results illustrate the potential of an evidence‐based, spatially explicit evaluation of urban development impacts on biodiversity, by predicting the consequences for bird numbers. Subject to verification of predictive ability, practitioners can apply the models to compare, for example, land‐sparing and sharing within developments, or to quantify the biodiversity requirements for effective offsetting. This would be facilitated by incorporation into an online tool allowing user‐determined input scenarios.

Plummer, Kate E.↗

User-based I/O Profiling for Leadership Scale HPC Workloads

I/O constitutes a significant portion of most of the application run-time. Spawning many such applications concurrently on an HPC system leads to severe I/O contention. Thus, understanding and subsequently reducing I/O contention induced by such multi-tenancy is critical for the efficient and reliable performance of the HPC system. In this study, we demonstrate that an application’s performance is influenced by the command line arguments passed to the job submission. We model an application’s I/O behavior based on two factors: past I/O behavior within a time window and user-configured I/O settings via command-line arguments. We conclude that I/O patterns for well-known HPC applications like E3SM and LAMMP are predictable, with an average uncertainty below 0.25 (A probability of 80%) and near zero (A probability of 100%) within a day. However, I/O pattern variance increases as the study time window lengthens. Additionally, we show that for 38 users and at least 50 applications constituting approximately 93000 job submissions, there is a high correlation between a submitted command line and the past command lines made within 1 to 10 days submitted by the user. We claim the length of this time window is unique per user.

Yazdani, Ahmad Hossein [Virginia Tech, Blacksburg]↗

A Brief Overview of Reactive Transport Codes Used in CO 2 Applications

Reactive transport modelling consists of computational and numerical models that describe the coupled physical, chemical, mechanical, and biological processes interacting with each other over a broad range of spatial and temporal scales. This report reviews some of the reactive transport codes available in the literature for carbon dioxide (CO 2 ) applications and can assist the scientific community with the applicability of each code to solve a specific problem. Approaches implemented in these codes can be categorized in three groups: (i) continuum-scale, (ii) pore-scale, and (iii) hybrid-scale approaches. Theoretical foundations, numerical implementations, and application examples using the models are described. In the continuum approach, flow and transport are formulated in terms of a representative control volume of the medium and coupled with geochemical reactions. The medium is characterized by bulk parameters such as porosity, permeability, or reactive surface area. In the pore-scale approach, each point of space in the pore network is occupied by either a fluid or solid phase. The pore-scale approach requires an exact knowledge of the spatial and temporal phase distribution. In the hybrid-scale approach, media are described by multiple characteristic length-scales, with some regions using a pore-scale approach while others used a continuum approach.

01 COAL, LIGNITE, AND PEAT↗

Empirical Modeling of Direct Expansion (DX) Cooling System for Multiple Research Use Cases

This study provides a general procedure to generate a direct expansion (DX) cooling coil system for a roof top unit (RTU), which is a typical heating ventilation and air-conditioning (HVAC) system for commercial buildings in the United States. Experimental data from a full-scale unoccupied 2-story commercial building is used for the HVAC modeling. The regression for identifying the model coefficients was carried out with multiple stages, and the results were validated with measured data. The model’s applicability was evaluated with multiple case studies, including a building energy simulation (BES) program validation, model-based predictive control (MPC), and fault diagnostics and detection (FDD).

42 ENGINEERING↗

Urban air pollution dispersion model

Three-dimensional integrated puff model simulates smoke plume dispersion processes and estimates pollutant concentration during periods of low wind speed. Applications for model are given.

Robert, J. J.↗

Digital simulation by partitioning and uncoupling the system model

The present work reviews state variable simulation and then proposes a technique for simulation of nonlinear time varying systems by partitioning the system state variable model and uncoupling the resulting subsystem models so that the linear time-invariant ones can be simulated by state variable solution. Computational requirements and computer time are shown to be reduced. The method does, however, introduce an integration error due to the treatment of the intercoupling terms between the subsystems as inputs which are assumed constant over a computation interval. A fictitious sampler is thereby introduced, which is then derived in the form of a state variable error model. The application of this method in a simulation error analysis for a Saturn V attitude control system model and the simulation of a detailed nonlinear, single-axis model of the LST fine pointing control system is described.

Henson, T. F.↗

New technology for an ancient fish: A lamprey life cycle modeling tool with an R Shiny application

Lampreys (Petromyzontiformes) are an ancient group of fishes with complex life histories. We created a life cycle model that includes an R Shiny interactive web application interface to simulate abundance by life stage. This will allow scientists and managers to connect available demographic information in a framework that can be applied to questions regarding lamprey biology and conservation. We used Pacific lamprey ( Entosphenus tridentatus ) as a case study to highlight the utility of this model. We applied a global sensitivity analysis to explore the importance of individual life stage parameters to overall population size, and to better understand the implications of existing gaps in knowledge. We also provided example analyses of selected management scenarios (dam passage, fish translocations, and hatchery additions) influencing Pacific lamprey in fresh water. These applications illustrate how the model can be applied to inform conservation efforts. This tool will provide new capabilities for users to explore their own questions about lamprey biology and conservation. Simulations can hone hypotheses and predictions, which can then be empirically tested in the real world.

Gomes, Dylan G. E. (ORCID:0000000226423728)↗

Mars Global Reference Atmospheric Model (Mars-GRAM 2005) Applications for Mars Science Laboratory Mission Site Selection Processes

The new Mars-GRAM auxiliary profile capability, using data from TES observations, mesoscale model output, or other sources, allows a potentially higher fidelity representation of the atmosphere, and a more accurate way of estimating inherent uncertainty in atmospheric density and winds. Figure 3 indicates that, with nominal value rpscale=1, Mars-GRAM perturbations would tend to overestimate observed or mesoscale-modeled variability. To better represent TES and mesoscale model density perturbations, rpscale values as low as about 0.4 could be used. Some trajectory model implementations of Mars-GRAM allow the user to dynamically change rpscale and rwscale values with altitude. Figure 4 shows that an mscale value of about 1.2 would better replicate wind standard deviations from MRAMS or MMM5 simulations at the Gale, Terby, or Melas sites. By adjusting the rpscale and rwscale values in Mars-GRAM based on figures such as Figure 3 and 4, we can provide more accurate end-to-end simulations for EDL at the candidate MSL landing sites.

Justh, H. L.↗

Gibbs Energy Minimization Model for Solvent Extraction with Application to Rare-Earths Recovery

The emergence of technologies in which rare-earth elements provide critical functionality has increased the demand for these materials, with important implications for supply security. Recycling provides an option for mitigating supply risk and for creating economic value from the resale of recovered materials. While solvent extraction is a proven technology for rare-earth recovery and separation, its application often requires extensive trial-and-error experimentation to estimate parameter values and determine experimental design configurations. We describe a modeling strategy based on Gibbs energy minimization that incorporates parameter estimation for required thermodynamic properties as well as process design for solvent extraction and illustrate its applicability to rare earths separation. Visualization analysis during parameter estimation revealed a linear relationship between the standard enthalpies of the extractant and respective organo-metal complexes, analogous to the additivity principle for predicting molar volumes of organic compounds. Establishing this relationship reduced the size of the parameter estimation problem and yielded good agreement between model predictions and reported equilibrium extraction data, validating the property estimates for the organic phase species. Design exploration and optimization results map the space of feasible solvent extraction column configurations and identify the set of optimal design parameter values that meet recovery and purity targets.

Critical materials↗

Modeling of turbulent separated flows for aerodynamic applications

Steady, high speed, compressible separated flows modeled through numerical simulations resulting from solutions of the mass-averaged Navier-Stokes equations are reviewed. Emphasis is placed on benchmark flows that represent simplified (but realistic) aerodynamic phenomena. These include impinging shock waves, compression corners, glancing shock waves, trailing edge regions, and supersonic high angle of attack flows. A critical assessment of modeling capabilities is provided by comparing the numerical simulations with experiment. The importance of combining experiment, numerical algorithm, grid, and turbulence model to effectively develop this potentially powerful simulation technique is stressed.

Marvin, J. G.↗

Modeling of turbulent separated flows for aerodynamic applications

Steady, high speed, compressible separated flows modeled through numerical simulations resulting from solutions of the mass-averaged Navier-Stokes equations are reviewed. Emphasis is placed on benchmark flows that represent simplified (but realistic) aerodynamic phenomena. These include impinging shock waves, compression corners, glancing shock waves, trailing edge regions, and supersonic high angle of attack flows. A critical assessment of modeling capabilities is provided by comparing the numerical simulations with experiment. The importance of combining experiment, numerical algorithm, grid, and turbulence model to effectively develop this potentially powerful simulation technique is stressed.

Marvin, J. G.↗

Three-Dimensional, Transgenic Cell Models to Quantify Space Genotoxic Effects

The space environment contains radiation and chemical agents known to be mutagenic and carcinogenic to humans. Additionally, microgravity is a complicating factor that may modify or synergize induced genotoxic effects. Most in vitro models fail to use human cells (making risk extrapolation to humans more difficult), overlook the dynamic effect of tissue intercellular interactions on genotoxic damage, and lack the sensitivity required to measure low-dose effects. Currently a need exists for a model test system that simulates cellular interactions present in tissue, and can be used to quantify genotoxic damage induced by low levels of radiation and chemicals, and extrapolate assessed risk to humans. A state-of-the-art, three-dimensional, multicellular tissue equivalent cell culture model will be presented. It consists of mammalian cells genetically engineered to contain multiple copies of defined target genes for genotoxic assessment,. NASA-designed bioreactors were used to coculture mammalian cells into spheroids, The cells used were human mammary epithelial cells (H184135) and Stratagene's (Austin, Texas) Big Blue(TM) Rat 2 lambda fibroblasts. The fibroblasts were genetically engineered to contain -a high-density target gene for mutagenesis (60 copies of lacl/LacZ per cell). Tissue equivalent spheroids were routinely produced by inoculation of 2 to 7 X 10(exp 5) fibroblasts with Cytodex 3 beads (150 micrometers in diameter). at a 20:1 cell:bead ratio, into 50-ml HARV bioreactors (Synthecon, Inc.). Fibroblasts were cultured for 5 days, an equivalent number of epithelial cells added, and the fibroblast/epithelial cell coculture continued for 21 days. Three-dimensional spheroids with diameters ranging from 400 to 600 micrometers were obtained. Histological and immunohistochemical Characterization revealed i) both cell types present in the spheroids, with fibroblasts located primarily in the center, surrounded by epithelial cells; ii) synthesis of extracellular matrix; and iii,, mitotic cells located throughout the spheroids. Spheroidal integrity and cell viability were retained for the 30-day test period after removal of spheroids from the bioreactor. Potential utility of this three-dimensional, transgenic model for genotoxicity was initially assessed by exposure of spheroids to 0-2 Gy neon at dose rates of 0.3 to 1.5 Gy/min (National Institute of Radiological Sciences, Chiba, Japan). Quantification of mutation at the lacl gene revealed a linear dose response for mutation induction. Limited sequencing analysis of mutant clones revealed higher frequencies of deletions and multiple base sequence changes with increasing dose. These results suggest that our three-dimensional, transgenic model is applicable to a wide variety of studies involving the quantification, identification, and characterization of genotoxicity incurred in space and on Earth. This model uniquely allows investigation of the interaction of relevant factors, namely cell-to-cell interactions and the mechanistic interaction of microgravity with radiation insults and DNA repair. Using this three-dimensional model will allow us to obtain dual genotoxic information (i.e., mutation rate plus chromosome aberration data) from the same system so that one endpoint can be used to reference the other, thereby increasing the fidelity of the data set. Moreover, the tissue-equivalent nature of the three-dimensional model provides high confidence for relevance of risk assessment, i.e., the establishment of quality factors directly applicable to the microgravity environment.

Gonda, S. R.↗

Computational models of human vision with applications

Perceptual problems in aeronautics were studied. The mechanism by which color constancy is achieved in human vision was examined. A computable algorithm was developed to model the arrangement of retinal cones in spatial vision. The spatial frequency spectra are similar to the spectra of actual cone mosaics. The Hartley transform as a tool of image processing was evaluated and it is suggested that it could be used in signal processing applications, GR image processing.

Wandell, B. A.↗

Quantum simulations in effective model spaces: Hamiltonian-learning variational quantum eigensolver using digital quantum computers and application to the Lipkin-Meshkov-Glick model

Quantum simulations offer the potential to predict the structure and dynamics of nuclear many-body systems that are beyond the capabilities of classical computing. Generally, preparing the ground state of strongly-interacting many-body systems relevant to nuclear physics is however inefficient, even using ideal quantum computers. In addition, currently available NISQ-era quantum devices possess modest numbers of qubits, limiting the size of quantum many-body systems that can be simulated. In this context, a reformulation of the quantum many-body problems using truncated model spaces and Hamiltonians is desirable to make them more amenable to near-term quantum computers. The importance of symmetries in low-energy theories, including effective field theories (EFTs), lattice quantum chromodynamics (QCD), and effective model spaces for nuclear systems, in particular their interplay with the reduction of active Hilbert spaces, is well known. Lesser known is the fact that the non-commutivity of some symmetries and truncations of the model space can be profitably combined with variational calculations to rearrange the entanglement into localized structures and enable more efficient simulations. Here, the goal of the present study is to explore and utilize the non-commutivity of symmetries and model-space truncations of quantum many-body systems important to nuclear physics, particularly in combination with variational algorithms for quantum simulations and effective Hamiltonian learning. We introduce an iterative hybrid classical-quantum algorithm, Hamiltonian learning variational quantum eigensolver (HL-VQE), that simultaneously optimizes an effective Hamiltonian, thereby rearranging entanglement into the effective model space, and the associated ground-state wavefunction. Quantum simulations, using classical computers and IBM's superconducting-qubit quantum computers, are performed to demonstrate the HL-VQE algorithm, in the context of the Lipkin-Meshkov-Glick (LMG) model of interacting fermions, where the Hamiltonian transformation corresponds to an orbital rotation. We use a mapping where the number of qubits scales with the $\log$ of the size of the effective model space, rather than the particle number. HL-VQE is found to provide an exponential improvement in LMG-model calculations of the ground-state energy and wavefunction, compared to naive truncations without Hamiltonian learning, throughout a significant fraction of the Hilbert space. In the context of EFT, this corresponds to counterterms scaling exponentially with the cut-off as opposed to power law. Implementations on IBM's QExperience quantum computers and simulators for 1- and 2-qubit effective model spaces are shown to provide accurate and precise results, reproducing classical predictions. For a range of parameters defining the LMG model, the HL-VQE algorithm is found to have better scaling of quantum resources requirements than previously explored algorithms. In particular, the HL-VQE scales efficiently over a large fraction of the model space, in contrast to VQE alone. This work constitutes a step in the development of entanglement-driven quantum algorithms for descriptions of nuclear many-body systems. This, in part, leverages the potential of noisy intermediate-scale quantum (NISQ) devices. The exponential scaling of counterterms observed in this study suggests the possibility of more general applicability to other non-perturbative EFTs.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗