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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

GPU-enabled extreme-scale turbulence simulations: Fourier pseudo-spectral algorithms at the exascale using OpenMP offloading

Fourier pseudo-spectral methods for nonlinear partial differential equations are of wide interest in many areas of advanced computational science, including direct numerical simulation of three-dimensional (3-D) turbulence governed by the Navier-Stokes equations in fluid dynamics. This paper presents a new capability for simulating turbulence at a new record resolution up to 35 trillion grid points, on the world's first exascale computer, Frontier, comprising AMD MI250x GPUs with HPE's Slingshot interconnect and operated by the US Department of Energy's Oak Ridge Leadership Computing Facility (OLCF). Key programming strategies designed to take maximum advantage of the machine architecture involve performing almost all computations on the GPU which has the same memory capacity as the CPU, performing all-to-all communication among sets of parallel processes directly on the GPU, and targeting GPUs efficiently using OpenMP offloading for intensive number-crunching including 1-D Fast Fourier Transforms (FFT) performed using AMD ROCm library calls. With 99% of computing power on Frontier being on the GPU, leaving the CPU idle leads to a net performance gain via avoiding the overhead of data movement between host and device except when needed for some I/O purposes. Memory footprint including the size of communication buffers for MPI_ALLTOALL is managed carefully to maximize the largest problem size possible for a given node count. Detailed performance data including separate contributions from different categories of operations to the elapsed wall time per step are reported for five grid resolutions, from 2048 3 on a single node to 32768 3 on 4096 or 8192 nodes out of 9408 on the system. Both 1D and 2D domain decompositions which divide a 3D periodic domain into slabs and pencils respectively are implemented. The present code suite (labeled by the acronym GESTS, GPUs for Extreme Scale Turbulence Simulations) achieves a figure of merit (in grid points per second) exceeding goals set in the Center for Accelerated Application Readiness (CAAR) program for Frontier. The performance attained is highly favorable in both weak scaling and strong scaling, with notable departures only for 2048 3 where communication is entirely intra-node, and for 32768 3 , where a challenge due to small message sizes does arise. Communication performance is addressed further using a lightweight test code that performs all-to-all communication in a manner matching the full turbulence simulation code. Performance at large problem sizes is affected by both small message size due to high node counts as well as dragonfly network topology features on the machine, but is consistent with official expectations of sustained performance on Frontier. Overall, although not perfect, the scalability achieved at the extreme problem size of 32768 3 (and up to 8192 nodes — which corresponds to hardware rated at just under 1 exaflop/sec of theoretical peak computational performance) is arguably better than the scalability observed using prior state-of-the-art algorithms on Frontier's predecessor machine (Summit) at OLCF. New science results for the study of intermittency in turbulence enabled by this code and its extensions are to be reported separately in the near future.

3D fast Fourier transform↗
NASA NTRS1989

Efficient mapping algorithms for scheduling robot inverse dynamics computation on a multiprocessor system

Two efficient mapping algorithms for scheduling the robot inverse dynamics computation consisting of m computational modules with precedence relationship to be executed on a multiprocessor system consisting of p identical homogeneous processors with processor and communication costs to achieve minimum computation time are presented. An objective function is defined in terms of the sum of the processor finishing time and the interprocessor communication time. The minimax optimization is performed on the objective function to obtain the best mapping. This mapping problem can be formulated as a combination of the graph partitioning and the scheduling problems; both have been known to be NP-complete. Thus, to speed up the searching for a solution, two heuristic algorithms were proposed to obtain fast but suboptimal mapping solutions. The first algorithm utilizes the level and the communication intensity of the task modules to construct an ordered priority list of ready modules and the module assignment is performed by a weighted bipartite matching algorithm. For a near-optimal mapping solution, the problem can be solved by the heuristic algorithm with simulated annealing. These proposed optimization algorithms can solve various large-scale problems within a reasonable time. Computer simulations were performed to evaluate and verify the performance and the validity of the proposed mapping algorithms. Finally, experiments for computing the inverse dynamics of a six-jointed PUMA-like manipulator based on the Newton-Euler dynamic equations were implemented on an NCUBE/ten hypercube computer to verify the proposed mapping algorithms. Computer simulation and experimental results are compared and discussed.

Lee, C. S. G.↗
NASA NTRS1997

Application of PML Absorbing Boundary Conditions to the Benchmark Problems of Computational Aeroacoustics

Accurate numerical non-reflecting boundary conditions are important in all the proposed benchmark problems of the Second Workshop. Recently, a new absorbing boundary condition has been developed using Perfectly Matched Layer (PML) equations for the Euler equations. In this approach, a region with a width of a few grid points is introduced adjacent to the non-reflecting boundaries. In the added region, Perfectly Matched Layer equations are constructed and applied so that the out-going waves are absorbed inside the layer with little reflection to the interior domain. It will be demonstrated in the present paper that the proposed absorbing boundary condition is quite general and versatile, applicable to radiation boundaries as well as inflow and outflow boundaries. It is also easy to implement. The emphasis of the paper will be on the application of the PML absorbing boundary condition to problems in Categories 1, 2, and 3. In Category 1, solutions of problems 1 and 2 are presented. Both problems are solved using a multi-domain polar grid system. Perfectly Matched Layer equations for a circular boundary are constructed and their effectiveness assessed. In Category 2, solutions of problem 2 are presented. Here, in addition to the radiation boundary conditions at the far field in the axisymmetric coordinate system, the inflow boundary condition at the duct inlet is also dealt with using the proposed Perfectly Match Layer equations. At the inlet, a PML domain is introduced in which the incident duct mode is simulated while the waves reflected from the open end of the duct are absorbed at the same time. In Category 3, solutions of all three problems are presented. Again, the PML absorbing boundary condition is used at the inflow boundary so that the incoming vorticity wave is simulated while the outgoing acoustic waves are absorbed with very little numerical reflection. All the problems are solved using central difference schemes for spatial discretizations and the optimized Low-Dissipation and Low-Dispersion Runge-Kutta scheme for the time integration. Issues of numerical accuracy and efficiency are also addressed.

Hu, Fang Q.↗
DOE OSTI2020

Optimal experimental design for prediction based on push-forward probability measures

Incorporating experimental data is essential for increasing the credibility of simulation-aided decision making and design. This paper presents a method which uses a computational model to guide the optimal acquisition of experimental data to produce data-informed predictions of quantities of interest (QoI). Many strategies for optimal experimental design (OED) select data that maximize some utility that measures the reduction in uncertainty of uncertain model parameters, for example the expected information gain between prior and posterior distributions of these parameters. In this paper, we seek to maximize the expected information gained from the pushforward of an initial (prior) density to the push-forward of the updated (posterior) density through the parameter-to-prediction map. The formulation presented is based upon the solution of a specific class of stochastic inverse problems which seeks a probability density that is consistent with the model and the data in the sense that the push-forward of this density through the parameter-to-observable map matches a target density on the observable data. While this stochastic inverse problem forms the mathematical basis for our approach, we develop a one-step algorithm, focused on push-forward probability measures, that leverages inference-for-prediction to bypass constructing the solution to the stochastic inverse problem. A number of numerical results are presented to demonstrate the utility of this optimal experimental design for prediction and facilitate comparison of our approach with traditional OED.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1988

Investigations into the shape-preserving interpolants using symbolic computation

Shape representation is a central issue in computer graphics and computer-aided geometric design. Many physical phenomena involve curves and surfaces that are monotone (in some directions) or are convex. The corresponding representation problem is given some monotone or convex data, and a monotone or convex interpolant is found. Standard interpolants need not be monotone or convex even though they may match monotone or convex data. Most of the methods of investigation of this problem involve the utilization of quadratic splines or Hermite polynomials. In this investigation, a similar approach is adopted. These methods require derivative information at the given data points. The key to the problem is the selection of the derivative values to be assigned to the given data points. Schemes for choosing derivatives were examined. Along the way, fitting given data points by a conic section has also been investigated as part of the effort to study shape-preserving quadratic splines.

Lam, Maria↗
DOE OSTI2025

Variational quantum and neural quantum states algorithms for the linear complementarity problem

Variational quantum algorithms (VQAs) are promising hybrid quantum-classical methods designed to leverage the computational advantages of quantum computing while mitigating the limitations of current noisy intermediate-scale quantum (NISQ) hardware. Although VQAs have been demonstrated as proofs of concept, their practical utility in solving real-world problems—and whether quantum-inspired classical algorithms can match their performance—remains an open question. We present a novel application of the variational quantum linear solver (VQLS) and its classical neural quantum states-based counterpart, the variational neural linear solver (VNLS), as key components within a minimum map Newton solver for a complementarity-based rigid-body contact model. We demonstrate using the VNLS that our solver accurately simulates the dynamics of rigid spherical bodies during collision events. These results suggest that quantum and quantum-inspired linear algebra algorithms can serve as viable alternatives to standard linear algebra solvers for modelling certain physical systems.

neural quantum states↗
DOE OSTI2021

Potential neutron-induced γ-ray background on natural tellurium relevant to 130 Te 0 ν ββ decay searches at the CUORE and SNO+ detectors

Gamma-ray production cross-section data have been obtained for the inelastic neutron scattering reactions 126,128,130 Te(n,n'γ) at five neutron energies between 3.6 and 10 MeV. We report data for the γ-ray energy region relevant to 0ν ββ decay of 130 Te with a Q ββ value of 2527.515 keV, assuming natural-abundance tellurium, as used at CUORE and SNO+. The natural abundance of 130 Te, 128 Te, and 126 Te is 34%, 32%, and 19%, respectively. For CUORE the γ-ray cascades from the excited state in 130 Te at 2527.06 keV and in 126 Te at 2533.85 keV are of concern. For SNO+, accounting for its inferior energy resolution, an additional four levels are important in 130 Te, an additional nine levels in 128 Te, and an additional eight levels in 126 Te. Of these, we report neutron-induced γ-ray production cross sections for the strongest transitions: the 2581.15 keV level in 130 Te, the 2494.20, 2508.06, and 2630.14 keV levels in 128 Te, and the 2496.83 and 2585.46 keV level in 126 Te. Here, the largest cross-section values were found for cascade γ-ray transitions to the ground state, while direct transitions to the ground state are very weak and were not observed in the present work. Both the CUORE and SNO+ detectors, however, may not be able to distinguish between cascade transitions and direct transitions to the ground state, making the neutron-induced excitation of the 2527.06 keV state of 130 Te in particular a potential problem for 0νββ decay searches of 130Te, because it matches its Q ββ value.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Swap Path Network for Robust Person Search Pre-training

This code corresponds to the WACV25 conference paper, "Swap Path Network for Robust Person Search Pre-training". In that paper, we introduce a new model for the person search task called the Swap Path Net (SPNet). The person search task is a problem in computer vision, where we locate and rank matches to an image of a query person in a set of other images where we want to find them. We also introduce a novel pre-training algorithm specific to the Swap Path Net architecture. The code implements pre-training and fine-tuning of the Swap Path Net (SPNet). This includes ingesting image datasets and updating the weights of the SPNet neural network to train it for the person search task. The repository contains code, configs, and instructions to reproduce all results from the paper.

Jaffe, LucasW [Lawrence Livermore National Laborat↗
DOE OSTI2013

Microearthquake Studies at the Salton Sea Geothermal Field

The objective of this project is to detect and locate microearthquakes to aid in the characterization of reservoir fracture networks. Accurate identification and mapping of the large numbers of microearthquakes induced in EGS is one technique that provides diagnostic information when determining the location, orientation and length of underground crack systems for use in reservoir development and management applications. Conventional earthquake location techniques often are employed to locate microearthquakes. However, these techniques require labor-intensive picking of individual seismic phase onsets across a network of sensors. For this project we adapt the Matched Field Processing (MFP) technique to the elastic propagation problem in geothermal reservoirs to identify more and smaller events than traditional methods alone.

15 GEOTHERMAL ENERGY↗
DOE OSTI2018

Improving Land-Surface Modeling of Evapotranspiration Processes in Tropical Forests (Final Report)

Land surface models are used to represent terrestrial processes that shape global climate; examples of these processes include evaporation, plant water use, and photosynthesis. While much progress has been made to improve and refine these models, some hydrological processes are not well captured, which hinders our ability to understand land-atmosphere interactions and ultimately to predict impacts of climate change on water resources. The inadequate representation of evapotranspiration may partly explain why global climate models do not match observed precipitation patterns. Multiple factors contribute to this problem. In moist tropical regions, high humidity, leaf wetness, and cloud cover combine to suppress forest water use and possibly reduce forest growth in ways that are poorly understood. Mountainous areas pose additional difficulties, as standard modeling and measurement techniques are not readily applied in rough terrain. In this project, we aimed to improve our understanding and modeling of fluxes of water vapor and carbon dioxide to and from tropical forests. To do this, we collected a suite of data from the mountainous rainforest surrounding the Texas A&M Soltis Center in San Ramon, Costa Rica. From 2014 to 2018, a suite of variables were measured, including: in-canopy profiles of water vapor, carbon dioxide, temperature, light, and leaf wetness; transpiration, evapotranspiration, carbon flux, and soil respiration; and local weather conditions. Leaf-scale measurements were used to find photosynthesis rates and derive their parameters. Using this data set, we were able to better quantify the relationships between assimilation and transpiration and their main drivers in tropical forests. These variables were namely available light, vapor pressure deficit, and leaf wetness, but not soil moisture, which exerted no detectable control. We also showed the vertical variability in canopy microclimates and how neglecting forest layers in models may misrepresent overall fluxes. The data were then used to test and refine evapotranspiration and energy budget formulations in the Community Land Model. Fluxes and energy budget components were compared to simulated values from CLM4.5 and CLM.5. The biggest discrepancies arose from hillslope shading effects, particularly mismatches in afternoon carbon fluxes, with notable differences in transpiration rates and sap flux due to capacitance in large trees. Secondary, but still significant issues included unrealistic leaf wetness and leaf drying rates, as well as air and vegetation temperatures, both of which were likely linked to CLM’s formulations controlling wet leaf and sunlit/shaded leaf fractions. Modeling multiple layers in the canopy via the newly released CLM-ml and making adjustments to existing parameters both show promise in resolving these issues. In total, the project has produced 5 peer-reviewed articles, 24 presentations, 2 theses, 4 public outreach items, and 4 publically available datasets, to date. Additional products are expected pending the completion of an additional thesis. Data has also been shared with several collaborative networks, including PHENOCAM and SAPFLUXNET.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

A Review and Comparison of Different Sensitivity Analysis Techniques in Practice

There exist many methods for sensitivity analysis readily available to the practitioner. While each seeks to help the modeler answer the same general question – How do sources of uncertainty or changes in the model inputs relate to uncertainty in the output? – different methods are associated with different assumptions, constraints, and required resources, leading to conclusions that may vary in interpretability and level of detail. Thus, it is crucial that the practitioner selects the desired sensitivity analysis method judiciously, making sure to match the selected approach to the specifics of their problem and to their desired objectives. In this chapter, we provide a practical overview of a collection of widely used, widely available sensitivity analysis methods. We focus on global sensitivity approaches, which seek to characterize how uncertainty in the model output may be allocated to sources of uncertainty in model inputs across the entire input space. Generally, this will require the practitioner to specify a probability distribution over the input space. On the other hand, methods for local sensitivity analysis do not require this specification but they have more limited utility, providing insight into sources of uncertainty associated only with a particular, specified location in the input space. Our hope is that this chapter may serve as a decision-making tool for practitioners, helping to guide the selection of a sensitivity analysis approach that will best fit their needs. To support this goal, we have selected a suite of approaches to cover, which, while not exhaustive, we believe provides a flexible and robust sensitivity analysis toolkit. All methods included are widely used and available in standard software packages.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Digital Twin: Visualizing the Future of the Power Grid [Slides]

The energy systems are generating data at a scale and complexity that increasingly outpaces our ability to analyze it. This talk argues that rigorous, large-scale visualization is a critical tool for meeting that challenge. Drawing on recent work in the Computational Science Center at the National Laboratory of the Rockies, we trace a progression of visualization research culminating in an immersive digital twin of a real campus power grid. Along the way, we examine why visualization matters at all, where widely-used techniques quietly fail, and what becomes analytically possible when you match the display environment to the scale of the problem.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS1974

Optimum constrained image restoration filters

The filter was developed in Hilbert space by minimizing the radius of gyration of the overall or composite system point-spread function subject to constraints on the radius of gyration of the restoration filter point-spread function, the total noise power in the restored image, and the shape of the composite system frequency spectrum. An iterative technique is introduced which alters the shape of the optimum composite system point-spread function, producing a suboptimal restoration filter which suppresses undesirable secondary oscillations. Finally this technique is applied to multispectral scanner data obtained from the Earth Resources Technology Satellite to provide resolution enhancement. An experimental approach to the problems involving estimation of the effective scanner aperture and matching the ERTS data to available restoration functions is presented.

Riemer, T. E.↗
NASA NTRS1989

Temperature profiles in high gradient furnaces

Accurate temperature measurement of the furnace environment is very important in both the science and technology of crystal growth as well as many other materials processing operations. A high degree of both accuracy and precision is acutely needed in the directional solidification of compound semiconductors in which the temperature profiles control the freezing isotherm which, in turn, affects the composition of the growth with a concomitant feedback perturbation on the temperature profile. Directional solidification requires a furnace configuration that will transport heat through the sample being grown. A common growth procedure is the Bridgman Stockbarger technique which basically consists of a hot zone and a cold zone separated by an insulator. In a normal growth procedure the material, contained in an ampoule, is melted in the hot zone and is then moved relative to the furnace toward the cold zone and solidification occurs in the insulated region. Since the primary path of heat between the hot and cold zones is through the sample, both axial and radial temperature gradients exist in the region of the growth interface. There is a need to know the temperature profile of the growth furnace with the crystal that is to be grown as the thermal load. However it is usually not feasible to insert thermocouples inside an ampoule and thermocouples attached to the outside wall of the ampoule have both a thermal and a mechanical contact problem as well as a view angle problem. The objective is to present a technique of calibrating a furnace with a thermal load that closely matches the sample to be grown and to describe procedures that circumvent both the thermal and mechanical contact problems.

Fripp, A. L.↗
NASA NTRS2003

The Updated Umkehr Ozone Retrieval Algorithm and its Validation against Satellite Data

Improvements to the Umkehr ozone profile retrieval algorithm have been developed and are now being evaluated. The updated algorithm is able to simulate observations more accurately and provides data output that is easier to analyze. Among the new diagnostic capabilities that the updated algorithm provides is the averaging kernel (AK) method. The AK approach allows studying how the algorithm responds when a small perturbation is made in a particular layer of the atmosphere [Rodgers 1976, 1990]. We will use the AK method to define precisely what Umkehr should measure given a set of profiles measured by other platforms. This method allows us to compare trends and offsets in data more accurately than it has been done in the past. The updated Umkehr retrievals will be validated against SAGE II ozone profiles as well as SSBUV ozone profile data. We will discuss possible reasons for offset between data and differences in derived ozone profile trends. Considerable variability of the ozone profile within the 10-degree latitude envelope creates noise in the SAGE matching dataset and makes comparisons difficult. To eliminate this problem, the SAGE and Umkehr data had been previously de-seasonalized by subtracting the latitude/season dependent ozone climatology. However, the remaining noise in the ozone residuals was still considerably high for trend analysis and was attributed to longitude variability of SAGE sampling. The new ozone climatology (Labow, NASA) that has longitude dependent ozone variability will be used to minimize contribution of sampling noise in comparisons of satellite and ground station. The comparison of zenith-sky radiances (Umkehr N-value measurements) synthesized for a given set of SAGE profiles will be used to determine whether SAGE-derived N-values agree with the Umkehr-measured N-values. The instrumental effects will be discussed. Both the Umkehr data and SAGE II measurements will be analyzed for their information about ozone variability and loss and recovery rates at the mid- and upper (40 km) levels. The updated long-term Umkehr dataset can be used to provide high quality information for identifying signs of ozone recovery. The long Umkehr historical record can provide additional information for separating the dynamic and chemical mechanisms of depletion, and can help the community better understand climate change effects.

Petropavlovskikh, I.↗
NASA NTRS2003

Developing a MATLAB(registered)-Based Tool for Visualization and Transformation

An important step in the structural design and development of spacecraft is the experimental identification of a structure s modal characteristics, such as its natural frequencies and modes of vibration. These characteristics are vital to developing a representative model of any given structure or analyzing the range of input frequencies that can be handled by a particular structure. When setting up such a representative model of a structure, careful measurements using precision equipment (such as accelerometers and instrumented hammers) must be made on many individual points of the structure in question. The coordinate location of each data point is used to construct a wireframe geometric model of the structure. Response measurements obtained from the accelerometers is used to generate the modal shapes of the particular structure. Graphically, this is displayed as a combination of the ways a structure will ideally respond to a specified force input. Two types of models of the tested structure are often used in modal analysis: an analytic model showing expected behavior of the structure, and an experimental model showing measured results due to observed phenomena. To evaluate the results from the experimental model, a comparison of analytic and experimental results must be made between the two models. However, comparisons between these two models become difficult when the two coordinate orientations differ in a manner such that results are displayed in an unclear fashion. Such a problem proposes the need for a tool that not only communicates a graphical image of a structure s wireframe geometry based on various measurement locations (called nodes), but also allows for a type of transformation of the image s coordinate geometry so that a model s coordinate orientation is made to match the orientation of another model. Such a tool should also be designed so that it is able to construct coordinate geometry based on many different listings of node locations and is able to transform the wireframe coordinate orientation to match almost any possible orientation (i.e. it should not be a problem specific application) if it is to be of much value in modal analysis. Also, since universal files are used to store modal parameters and wireframe geometry, the tool must be able to read and extract information from universal files and use these files to exchange model data.The purpose of this project is to develop such a tool as a computer graphical user interface (GUI) capable of performing the following tasks: 1) Browsing for a particular universal file within the computer directory and displaying the name of this file to the screen; 2) Plotting each of the nodes within the universal file in a useful, descriptive, and easily understood figure; 3) Reading the node numbers from the selected file and listing these node numbers to the user for selection in an easily accessible format; 4) Allowing for user selection of a new model orientation defined by three selected nodes; and 5) Allowing the user to specify a directory to which the transformed model s node locations will be saved, and saving the transformed node locations to the specified file.

Anderton, Blake J.↗
DOE OSTI2019

Preliminary Validation of the Shift Monte Carlo Code for Fixed-Source Radiation Transport Problems

Simulations of neutron and photon transport using the Shift Monte Carlo radiation transport code are compared with experimental measurements and their corresponding benchmark simulations from several sets of experiments. Overall, Shift results match the calculations made by the benchmark teams quite well and match the measured values, which typically have large uncertainties, fairly well. A variety of attenuation/scattering problems are examined, as well as a streaming problem and a skyshine problem.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1989

Minimal inversion, command matching and disturbance decoupling in multivariable systems

The present treatment of the related problems of minimal inversion and perfect output control in linear multivariable systems uses a simple analytical expression for the inverse of a square multivariate system's transfer-function matrix to construct a minimal-order inverse of the system. Because the poles of the minimal-order inverse are the transmission zeros of the system, necessary and sufficient conditions for the inverse system's stability are simply stated in terms of the zero polynomial of the original system. A necessary and sufficient condition for the existence of the required controllers is that the plant zero polynomial be neither identical to zero nor unstable.

Seraji, H.↗