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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 469 records · Page 26

Preliminary study of auto-differentiation algorithm in beam dynamics with stochastic process

Modern particle accelerator optimization requires sophisticated computational methods to address the inherently stochastic nature of beam dynamics. This research develops a framework applying AD to SDEs that specifically addresses beam dynamics challenges in particle accelerators, focusing on accurately modeling and optimizing beam behavior in regimes dominated by stochastic processes. By incorporating key physical phenomena such as synchrotron radiation, wakefield effects, and quantum excitation, the framework aims to provide auto differentiation on the figure of merit of the phase space evolution and beam dynamics. The methodology will enable effective optimization method in a dynamic system with stochastic process.

Accelerator Physics↗

Advancing Scientific Productivity through Better Scientific Software: Developer Productivity and Software Sustainability Report

The Exascale Computing Project (ECP) provides a unique opportunity to advance computational science and engineering (CSE) through an accelerated growth phase in extreme-scale computing. Central to the project is the development of next-generation applications and software technologies that can exploit emerging architectures for optimal performance and provide high-fidelity, multiphysics, multiscale capabilities. However, disruptive changes in computer architectures and the complexities of tackling new frontiers in extreme-scale modeling, simulation, and analysis present daunting challenges to the productivity of software developers and the sustainability of software artifacts. Members of the CSE community - especially at extreme scales but more broadly at all scales of computing - face an urgent need to improve developer productivity, positively impacting product quality, development time, and staffing resources, and software sustainability, reducing the cost of maintaining, sustaining, and evolving software capabilities.

97 MATHEMATICS AND COMPUTING↗

Cycle accurate and cycle reproducible memory for an FPGA based hardware accelerator

A method, system and computer program product are disclosed for using a Field Programmable Gate Array (FPGA) to simulate operations of a device under test (DUT). The DUT includes a device memory having a number of input ports, and the FPGA is associated with a target memory having a second number of input ports, the second number being less than the first number. In one embodiment, a given set of inputs is applied to the device memory at a frequency Fd and in a defined cycle of time, and the given set of inputs is applied to the target memory at a frequency Ft. Ft is greater than Fd and cycle accuracy is maintained between the device memory and the target memory. In an embodiment, a cycle accurate model of the DUT memory is created by separating the DUT memory interface protocol from the target memory storage array.

Asaad, Sameh W.↗

Exabiome: Advancing Microbial Science through Exascale Computing

The Exabiome project seeks to improve the understanding of microbiomes through the development of methods for accelerating metagenomic science using exascale computing. This article gives an overview of scientific impact of the three components of the project: metagenome assembly, protein family detection, and comparative analysis of metagenomes. Exabiome developed MetaHipMer, the only metagenome assembler capable of scaling to full exascale systems. MetaHipMer has enabled ground-breaking assemblies on the Frontier supercomputer, with many scientific benefits, such as the discovery of rare species and viral genomes. To investigate protein families, Exabiome developed two exascale tools, PASTIS and HipMCL. Together, these can utilize exascale resources to understand the functional diversity of billions of dark matter proteins and novel protein families. For comparative analysis, Exabiome developed kmerprof, a tool that can be used to compare huge metagenomes for many different scientific purposes, for example, grouping human microbiomes according to body location.

59 BASIC BIOLOGICAL SCIENCES↗

Assessment of MCRM Boost Assist from Orbit for Deep Space Missions

Report provides results of analysis for the beamed energy driven MHD Chemical Rocket Motor (MCRM) for application to boost from orbit to escape for deep space and interplanetary missions. Parametric analyses were performed in the mission to determine operating regime for which the MCRM provides significant propulsion performance enhancement. Analysis of the MHD accelerator was performed numerical computational methods to determine design and operational features necessary to achieve Isp on the order of 2,000 to 3,000 seconds. Algorithms were developed to scale weights for the accelerator and power supply. Significant improvement in propulsion system performance can be achieved with the beamed energy driven MCRM. The limiting factor on achievable vehicle acceleration is the specific power of the rectenna.

Source record↗

A Fast Hybrid (3-D/1-D) Model for Thermal Radiative Transfer in Cirrus via Successive Orders of Scattering

We investigate the impact of cirrus cloud heterogeneity on the direct emission by cloud or surface and on the scattering by ice particles in the thermal infrared (TIR). Realistic 3-D cirri are modeled with the 3DCLOUD code, and top-of-atmosphere radiances are simulated by the 3-D Monte Carlo radiative transfer (RT) algorithm 3DMCPOL for two (8.65 micrometers and 12.05 micrometers) channels of the Imaging Infrared Radiometer on CALIPSO. At nadir, comparisons of 1-D and 3-D RT show that 3-D radiances are larger than their 1-D counterparts for direct emission but smaller for scattered radiation. For our cirrus cases, 99% of the 3-D total radiance is computed by the third scattering order, which corresponds to 90% of the total computational effort, but larger optical thicknesses need more scattering orders. To radically accelerate the 3-D RT computations (using only few percent of 3-D RT time with a Monte Carlo code), even in the presence of large optical depths, we develop a hybrid model based on exact 3-D direct emission, the first scattering order from 1-D in each homogenized column, and an empirical adjustment linearly dependent on the optical thickness to account for higher scattering orders. Good agreement is found between the hybrid model and the exact 3-D radiances for two very different cirrus models without changing the empirical parameters. We anticipate that a future deterministic implementation of the hybrid model will be fast enough to process multiangle thermal imagery in a practical tomographic reconstruction of 3-D cirrus fields.

radiative transfer↗

Bridging Python to Silicon: The SODA Toolchain

Systems performing scientific computing, data analysis, and machine learning tasks have a growing demand for application-specific accelerators that can provide high computational performance while meeting strict size and power requirements. However, the algorithms and applications that need to be accelerated are evolving at a rate that is incompatible with manual design processes based on hardware description languages. Agile hardware design tools based on compiler techniques can help by quickly producing an application-specific integrated circuit (ASIC) accelerator starting from a high-level algorithmic description. Here, we present the software-defined accelerator (SODA) synthesizer, a modular and open-source hardware compiler that provides automated end-to-end synthesis from high-level software frameworks to ASIC implementation, relying on multilevel representations to progressively lower and optimize the input code. Our approach does not require the application developer to write any register-transfer level code, and it is able to reach up to 364 giga floating point operations per second (GFLOPS)/W efficiency (32-bit precision) on typical convolutional neural network operators.

97 MATHEMATICS AND COMPUTING↗

Multichannel Analysis of Surface Waves Accelerated (MASWAccelerated): Software for efficient surface wave inversion using MPI and GPUs

Multichannel Analysis of Surface Waves (MASW) is a technique frequently used in geotechnical engineering and engineering geophysics to infer 1D layered models of seismic shear wave velocities in the top tens to hundreds of meters of the subsurface. We aim to accelerate MASW calculations by capitalizing on modern computer hardware available in the workstations of most engineers: multiple cores and graphics processing units (GPUs). We propose new parallel and GPU accelerated algorithms for computing 1D MASW inversion, and provide software implementations in C using Message Passing Interface (MPI) and CUDA. These algorithms take advantage of sparsity that arises in the problem, and the work balance between processes considers typical data trends. We compare our methods to an existing open source Matlab MASW tool. Our serial C implementation achieves a 2x speedup over the Matlab software, and we continue to see improvements by parallelizing the problem with MPI. Here we see nearly perfect strong and weak scaling for uniform data, and improve strong scaling for realistic data by repartitioning the problem to process mapping. By utilizing GPUs available on most modern workstations, we observe an additional 1.3x speedup over the serial C implementation on the first use of the method. We typically repeatedly evaluate theoretical dispersion curves as part of an optimization procedure, and on the GPU the kernel can be cached for faster reuse on later runs. We observe a 3.2x speedup on the cached GPU runs compared to the serial C runs. This work is the first open-source parallel or GPU-accelerated software tool for MASW imaging, and should enable geotechnical engineers to fully utilize all computer hardware at their disposal.

58 GEOSCIENCES↗

White paper: A plan for cooperation between NASA and DARPA to establish a center for advanced architectures

Large, complex computer systems require many years of development. It is recognized that large scale systems are unlikely to be delivered in useful condition unless users are intimately involved throughout the design process. A mechanism is described that will involve users in the design of advanced computing systems and will accelerate the insertion of new systems into scientific research. This mechanism is embodied in a facility called the Center for Advanced Architectures (CAA). CAA would be a division of RIACS (Research Institute for Advanced Computer Science) and would receive its technical direction from a Scientific Advisory Board established by RIACS. The CAA described here is a possible implementation of a center envisaged in a proposed cooperation between NASA and DARPA.

Denning, P. J.↗

GPU-friendly surface model for Monte-Carlo detector simulations

The demands for Monte-Carlo simulation are drastically increasing with the Large Hadron Collider’s high-luminosity upgrade, and are expected to exceed the currently available compute resources. At the same time, modern high-performance computing has adopted powerful hardware accelerators, particularly GPUs. The AdePT and Celeritas projects aim to address the demanding computational needs by leveraging these heterogeneous computing architectures. While both have successfully ported realistic detector simulations to GPUs using the VecGeom library, the complexity of geometry modeling emerged as a bottleneck. Thread divergence and high register usage were degrading the GPU performance. Therefore, a new, GPU-friendly surface-based model has been introduced in the VecGeom library that decomposes the divergent code of the 3D primitive solids into simpler and more balanced surface algorithms. In this work, we present the latest developments, focusing on the additions required to efficiently model complex setups like the CMS Phase-2 geometry. This includes memory reduction techniques, and adding accelerating structures for faster traversal.

Diederichs, Severin [CERN]↗

Vortex developments over steady and accelerated airfoils incorporating a trailing edge jet

Computational and experimental studies are conducted to investigate the influence of a trailing edge jet on flow separation and subsequent vortex formation over steady and accelerated airfoils at high angles of attack. A computer code, employing the stream function-vorticity approach, is developed and utilized to conduct numerical experiments on the flow problem. To verify and economize such efforts, an experimental system is developed and incorporated into a subsonic wind tunnel where streamline and vortex flow visualization experiments are conducted. The study demonstrates the role of the trailing edge jet in controlling flow separation and subsequent vortex development for steady and accelerating flow at angles past the static stall angle of attack. The results suggest that the concept of the trailing edge jet may be utilized to control the characteristics of unsteady separated flows over lifting surfaces. This control possibility seems to be quite effective and could have a significant role in controlling unsteady separated flows.

Finaish, F.↗

hPIC2: A hardware-accelerated, hybrid particle-in-cell code for dynamic plasma-material interactions

The exascale era of high performance computing promises to bring the field of computational plasma physics ever closer to the goal of accurate multiscale modeling. Such computers will rely on hardware acceleration to offload work to dedicated components, notably general-purpose graphics processing units (GPUs). However, devices from different manufacturers require software to be written with different parallel programming models, greatly increasing the code maintenance burden of applications designed to perform on more than one such device. hPIC2 is a hybrid plasma simulation code developed with the Kokkos performance portability framework to target the architectures that will drive exascale computing for the foreseeable future. As a hybrid simulation code, hPIC2 investigates the simultaneous use of various plasma models on the same domain, at the same time. hPIC2 also optionally couples to RustBCA, which accurately models ion-material interactions using the binary collision approximation (BCA) method. In conclusion, hPIC2 therefore achieves scalable performance on a variety of computing architectures when simulating complex and diverse plasmas, particularly near plasma-material interfaces.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Efficient self-consistent viscous-inviscid solutions for unsteady transonic flow

An improved method is presented for coupling a boundary layer code with an unsteady inviscid transonic computer code in a quasi-steady fashion. At each fixed time step, the boundary layer and inviscid equations are successively solved until the process converges. An explicit coupling of the equations is described which greatly accelerates the convergence process. Computer times for converged viscous-inviscid solutions are about 1.8 times the comparable inviscid values. Comparison of the results obtained with experimental data on three airfoils are presented. These comparisons demonstrate that the explicitly coupled viscous-inviscid solutions can provide efficient predictions of pressure distributions and lift for unsteady two-dimensional transonic flow.

Howlett, J. T.↗

Efficient self-consistent viscous-inviscid solutions for unsteady transonic flow

An improved method is presented for coupling a boundary layer code with an unsteady inviscid transonic computer code in a quasi-steady fashion. At each fixed time step, the boundary layer and inviscid equations are successively solved until the process converges. An explicit coupling of the equations is described which greatly accelerates the convergence process. Computer times for converged viscous-inviscid solutions are about 1.8 times the comparable inviscid values. Comparison of the results obtained with experimental data on three airfoils are presented. These comparisons demonstrate that the explicitly coupled viscous-inviscid solutions can provide efficient predictions of pressure distributions and lift for unsteady two-dimensional transonic flows.

Howlett, J. T.↗

Accelerated Discovery of Solar Thermochemical Hydrogen Production Materials via High-Throughput Computational and Experimental Methods

In this project, combinatorial synthesis and testing methods were combined with high-throughput materials theory calculations to greatly accelerate the discovery of thermodynamically suitable candidates for green hydrogen production via a two-stage solar thermochemical water splitting (STCH) process. Over the course of the project, more than 8000 quinary and higher oxide compositions were computationally screened for STCH viability, and detailed stability calculations were performed for more than 30 of the most promising identified compositional archetypes. As a result, three new STCH capable compositional families were discovered and experimentally verified. The first, Ce x Sr 2-x MnO 4 (CSM), represents the first known Ruddlesden-Popper compound to show STCH activity, and thus demonstrates that perovskite-related structures may hold promise for this application. The second family, Sr 1-x Ce x MnO 3 (SCM), is the simple perovskite sister-analog to CSM. Sr 0.7 Ce 0.3 MnO 3 (SCM30), a member of this compositional family, was found to produce the highest hydrogen yields of any compound tested in this project, exceeding the end of project milestone target of > 150 μmol H 2 /gram oxide at a reduction temperature of 1350 °C, although only at steam-to-hydrogen ratios greater than 1000:1. Finally, we proved that a third novel Sr-and Mn-containing family, Sr 1-x Ca x Ti 1-y Mn y O 3 (SCTM), which was identified by Materials Project tools, also splits water. The behavior of the SCTM system was found to be similar to the previously discovered Sr 1-x La x Al 1-y Mn y O 3 (SLMA) family, albeit with lower H 2 yields. Across the three thrusts of the project (computational, combinatorial, and bulk testing), five journal articles were published. As part of Program End Analysis and Data Dissemination, relevant data used for the publications was uploaded to the HydroGEN Data Hub for public access, and in certain cases, results were added to public materials databases.

08 HYDROGEN↗

Fuel Injection Dynamics and Composition Effects on RDE Performance

Rotating detonation engines (RDEs) provide a promising route to substantially increasing cycle efficiency in stationary gas turbines. Much of this increase relies on the ability to achieve consistent pressure gain within the combustor. In particular, the design of injectors that feed fuel and air into the detonation channel plays a crucial role. Such injectors have to ensure proper mixing of fuel and oxidizer, while minimizing backflow of detonation products into the feed plenums, and reduce susceptibility to the complex wave structures that exist within the combustor. From a practical perspective, such RDEs also need to operate with variable fuel composition. When fuel mixtures with components that possess vastly different oxidation pathways and time-scales are used, there could be additional losses through deflagrative burning instead of detonation-driven heat release. Such sensitivity to the complete flow path is akin to the physics of thermoacoustic instabilities in conventional gas turbines. In this sense, RDEs pose a unique research challenge: the performance of the device relies on the small-scale heat release process, which is highly dependent on the flow interactions within the full-scale system. As a result, canonical flow configurations, instrumented with detailed diagnostics or modeled using high-fidelity tools, but only focus on the small-scale processes will not contain the key system-level interactions. At the same time, macroscopic measurements and models that only capture system-level performance will not provide insight into the key sources of pressure losses. These couplings and sensitivities provide a formidable challenge to both experimental and simulation studies of the effects Thus, a joint experimental/computational program designed specifically to address these challenges was undertaken in this program. The focus of this program was on two key topics: a) the interaction between injector flow and the overall wave dynamics within the combustor, and b) the deflagration/detonation structure in multi-component fuels that are of practical interest. Both topics involve interaction of small-scale heat release processes with the geometry-dependent wave structure. Studies focused on the study of full-scale RDE systems, based on a 6-inch conventional annular geometry. Experimentally RDEs were studied using a combination of diagnostics. A combination of optical diagnostics and aero-thermo-acoustic analysis based on a combination of spectral and mode decomposition analysis was used to identify the dynamics of the detonation wave and other secondary waves that exist in the system. These studies have helped the identification and investigation of injector and detonation dynamics arising from coupling, and how they affect RDE mixing, detonation structure, operability and performance. Performance of RDEs was investigated through thrust stand measurements, which was used to evaluate the effective pressure gain generated by the system through the concept of equivalent available pressure. Optical diagnostics were developed and implemented to investigate the distribution of heat release, across the detonation wave. Novel optical diagnostics of NIR imaging was also developed and applied to investigate the high temperature / high pressure distribution across the detonation wave. In order to complement the experiments, the computational tools were geared to simulate the full experimental setup. GPU-based acceleration of the models and computations were developed to enable rapid simulation of the full system. In addition, the use of adaptive mesh refinement, and unstructured grid formulation, enabled the investigation of realistic geometries studied in the laboratory. The simulations produced a wealth of detail on the structure of the detonation wave under different operating conditions. Emphasis was placed on quantifying mixture pre-burning and the impact on wave propagation and structure.

03 NATURAL GAS↗