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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 199 records · Page 11

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DOE OSTI2023

Collaboration for Advanced Modeling of Particle Accelerators

The pverarching purpose is to accelerate and expand the scope of discoveries from high energy physics (HEP) particle accelerators by enabling the design of accelerators that are significantly more compact and cheaper to build and run. This will be realized through (i) developing high-performance computing (HPC) accelerator and beam modeling capabilities to design the full range of systems required (ii) developing community simulation ecosystems that seamlessly integrate accelerator elements to facilitate the design and control of next-generation accelerators.

43 PARTICLE ACCELERATORS↗

DOE OSTI2021

Optimizing FPGA-based Accelerator Design for Large-Scale Molecular Similarity Search (Special Session Paper)

Molecular similarity search has been widely used in drug discovery to rapidly identify structurally similar compounds from large molecular databases. With the increasing size of chemical libraries, there is growing interest in the efficient ac- celeration of large-scale similarity search. Existing works mainly focus on CPU and GPU to accelerate the computation of Tatimoto coefficient in measuring the pairwise similarity between different molecular fingerprints. In this paper, we propose and optimize an FPGA-based accelerator design on exhaustive and approximate search algorithms. On exhaustive search using BitBound & fold- ing, we analyze the similarity cutoff and folding level relationship with search speedup and accuracy, and propose a scalable on- the-fly query engine on FPGAs to reduce the resource utilization and pipeline interval. We achieve a 450 million compounds-per- second processing throughput for a single query engine. On approximate search using hierarchical navigable small world (HNSW), a popular algorithm with high recall and query speed, we propose an FPGA-based graph traversal engine to utilize high throughput register array based priority queue and fine- grained distance calculation engine to increase the processing capability. Experimental results show that the proposed FPGA- based HNSW implementation achieves a 35× speedup than existing works on CPU. To the best of our knowledge, our FPGA- based implementation is the first attempt to accelerate molecular similarity search on FPGA and has the highest performance among existing approaches.

Peng, Hongwu↗

NASA NTRS1993

Efficient Minimum-Polynomial And Reduced-Rank Extrapolation

MPERRE computer program accelerates convergence of sequence of vectors by use of minimum-polynomial extrapolation (MPE) and reduced-rank extrapolation (RRE). Effective in accelerating convergences of such sequences of vectors as those obtained from iterative solution of systems of linear and nonlinear equations. In conjunction with various iterative techniques, successfully employed in finite-difference solution of large-scale elliptic boundary-value problems and problems in computational-fluid-dynamics. Only input required is sequence of vectors, convergence of which is accelerated. Program economical and easy to use. Written in FORTRAN 77.

Sidi, Avram↗

NASA NTRS1991

Multigrid acceleration and turbulence models for computations of 3D turbulent jets in crossflow

A multigrid method is presented for the calculation of three-dimensional turbulent jets in crossflow. Turbulence closure is achieved with either the standard k-epsilon model or a Reynolds Stress Model (RSM). Multigrid acceleration enables convergence rates which are far superior to that for a single grid method. With the k-epsilon model the rate approaches that for laminar flow, but with RSM it is somewhat slower. The increased stiffness of the system of equations in the latter may be responsible. Computed results with both turbulence models are compared with experimental data for a pair of opposed jets in crossflow. Both models yield reasonable agreement with mean flow velocity but RSM yields better prediction of the Reynolds stresses.

Demuren, A. O.↗

NASA NTRS1992

Evaluation of a multigrid-based Navier-Stokes solver for aerothermodynamic computations

A multigrid acceleration technique developed for solving the three-dimensional Navier-Stokes equations is used for computing high Mach number flows over configurations of practical interest. An explicit multistage Runge-Kutta type of time-stepping scheme is used as the basic algorithm. Solutions are presented for a spherically blunted cone at Mach 10 and a modified shuttle orbiter at Mach 6. The computed surface heat-transfer distributions are shown to compare favorably with the experimental data. Effect of grid-refinement on computed heat-transfer distributions is also examined to assess the numerical accuracy of the computed solutions. The rapid convergence rate associated with multigrid schemes in previous applications at transonic speeds is observed at the higher Mach number flows investigated here.

Vatsa, Veer N.↗

NASA NTRS1992

Multigrid acceleration and turbulence models for computations of 3D turbulent jets in crossflow

A multigrid method is presented for the calculation of three-dimensional turbulent jets in crossflow. Turbulence closure is achieved with either the standard k-epsilon model or a Reynolds stress model (RSM). Multigrid acceleration enables convergence rates which are far superior to that for a single grid method to be obtained with both turbulence models. With the k-epsilon model the rate approaches that for laminar flow, but with RSM it is somewhat slower. The increased stiffness of the system of equation in the latter may be responsible. Computed results with both turbulence models are compared to experimental data for a pair of opposed jets in crossflow. Both models yield reasonable agreement for the mean flow velocity, but RSM yields better predictions of the Reynolds stresses.

Demuren, A. O.↗

DOE OSTI2024

Revolutionizing Neuromorphic Computing for Science (Brochure on the 2024 ASCR Workshop on Neuromorphic Computing for Science)

The ASCR basic research needs for Neuromorphic Computing for Science workshop was held in September 2024. The workshop brochure and report aim to inform and draft a set of grand challenges for advancing the field of neuromorphic computing and developing proof of principle neuromorphic circuits applicable for High Performance Computer (HPC) acceleration for scientific discovery, and brainstorm ideas needed for a successful, robust, and world leading basic research program. The resulting priority research directions are: (1) Neuromorphic computing circuit primitives; (2) Connectivity, communication, and hardware integration; (3) Neuroscience-derived dynamics and algorithms; and (4) Ecosystem for scalable neuromorphic co-design. Breakthroughs in understanding, designing, and prototyping the circuitry and simulation capabilities for a truly neuromorphic computer are essential to enable progress in the field.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Revolutionizing Neuromorphic Computing for Science (Report for the 2024 ASCR Workshop on Neuromorphic Computing for Science)

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

ComPort: Rigorous Testing Methods to Safeguard Software Porting (Final Technical Report)

This is a technical report from the lead institution – University of Utah, Kahlert School of Computing – funded under the Department of Energy, Office of Science, Office of Advanced Scientific Computing Research under award number DE-SC0022252. We summarize our work done over the three years of funding received. The relevant papers and software have already been uploaded at the DOE site.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1985

Convergence acceleration of iterative solutions of Euler equations for transonic flow computations

In this paper, two acceleration techniques for Euler calculations are investigated. The first technique is an extrapolation procedure based on the Power Method; it is applicable when the iterative matrix has dominant eigenvalues. Both real and complex conjugate roots are allowed. The second technique is a generalization of the Minimal Residual Method, where the extrapolation step consists of a weighted combination of the corrections at different iteration levels and the weights are chosen to minimize the Lz norm of the residual. Numerical results, using Jameson's Runge-Kutta Multigrid Code, are presented. The extra computational work to apply either technique is negligible and the extra storage is not a problem on current supercomputers.

Hafez, M.↗

NASA NTRS1985

Visual and motion cueing in helicopter simulation

Early experience in fixed-cockpit simulators, with limited field of view, demonstrated the basic difficulties of simulating helicopter flight at the level of subjective fidelity required for confident evaluation of vehicle characteristics. More recent programs, utilizing large-amplitude cockpit motion and a multiwindow visual-simulation system have received a much higher degree of pilot acceptance. However, none of these simulations has presented critical visual-flight tasks that have been accepted by the pilots as the full equivalent of flight. In this paper, the visual cues presented in the simulator are compared with those of flight in an attempt to identify deficiencies that contribute significantly to these assessments. For the low-amplitude maneuvering tasks normally associated with the hover mode, the unique motion capabilities of the Vertical Motion Simulator (VMS) at Ames Research Center permit nearly a full representation of vehicle motion. Especially appreciated in these tasks are the vertical-acceleration responses to collective control. For larger-amplitude maneuvering, motion fidelity must suffer diminution through direct attenuation through high-pass filtering washout of the computer cockpit accelerations or both. Experiments were conducted in an attempt to determine the effects of these distortions on pilot performance of height-control tasks.

Bray, R. S.↗

NASA NTRS1986

Visual and motion cueing in helicopter simulation

The visual cues presented in the simulator are compared with those of flight in an attempt to identify deficiencies. For the low-amplitude maneuvering tasks normally associated with the hover mode, the unique motion capabilities of the Vertical Motion Simulator (VMS) at Ames Research Center permit nearly a full representation of vehicle motion. Especially appreciated in these tasks are the vertical-acceleration responses to collective control. For larger-amplitude maneuvering, motion fidelity must suffer diminution through direct attenuation through high-pass filtering washout of the computer cockpit accelerations or both. Experiments were conducted in an attempt to determine the effects of these distortions on pilot performance of height-control tasks.

Bray, Richard S.↗

DOE OSTI2020

A Chip-Scale Oscillation-Mode Optomechanical Inertial Sensor Near the Thermodynamical Limits

Modern navigation systems integrate the global positioning system (GPS) with an inertial navigation system (INS), which complement each other for correct attitude and velocity determination. Here, the core of the INS integrates accelerometers and gyroscopes used to measure forces and angular rate in the vehicular inertial reference frame. With the help of gyroscopes and by integrating the acceleration to compute velocity and distance, precision and compact accelerometers with sufficient accuracy can provide small–error location determination. Solid–state implementations, through coherent readout, can provide a platform for high performance acceleration detection. In contrast to prior accelerometers using piezoelectric or capacitive readout techniques, optical readout provides narrow–linewidth high–sensitivity laser detection along with low–noise resonant optomechanical transduction near the thermodynamical limits. Here an optomechanical inertial sensor with an 8.2 µg Hz –1/2 velocity random walk (VRW) at an acquisition rate of 100 Hz and 50.9 µg bias instability is demonstrated, suitable for applications, such as, inertial navigation, inclination sensing, platform stabilization, and/or wearable device motion detection. Driven into optomechanical sustained–oscillation, the slot photonic crystal cavity provides radio–frequency readout of the optically–driven transduction with an enhanced 625 µg Hz –1 sensitivity. Measuring the optomechanically–stiffened oscillation shift, instead of the optical transmission shift, provides a 220× VRW enhancement over pre–oscillation mode detection.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2025

Bridging paradigms: Designing for HPC-Quantum convergence

Here, this paper presents a comprehensive software stack architecture for integrating quantum computing (QC) capabilities with High-Performance Computing (HPC) environments. While quantum computers show promise as specialized accelerators for scientific computing, their effective integration with classical HPC systems presents significant technical challenges. We propose a hardware-agnostic software framework that supports both current noisy intermediate-scale quantum devices and future fault-tolerant quantum computers, while maintaining compatibility with existing HPC workflows. The architecture includes a quantum gateway interface, standardized APIs for resource management, and robust scheduling mechanisms to handle both simultaneous and interleaved quantum–classical workloads. Key innovations include: (1) a unified resource management system that efficiently coordinates quantum and classical resources, (2) a flexible quantum programming interface that abstracts hardware-specific details, (3) A Quantum Platform Manager API that simplifies the integration of various quantum hardware systems, and (4) a comprehensive tool chain for quantum circuit optimization and execution. We demonstrate our architecture through implementation of quantum–classical algorithms, including the variational quantum linear solver, showcasing the framework’s ability to handle complex hybrid workflows while maximizing resource utilization. This work provides a foundational blueprint for integrating QC capabilities into existing HPC infrastructures, addressing critical challenges in resource management, job scheduling, and efficient data movement between classical and quantum resources.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

AI-Driven Accelerated Inclusion Analysis for Energy Efficient Steelmaking (Final CRADA Report)

This was a collaborative effort between Lawrence Livermore National Security, LLC (LLNS) as manager and operator of Lawrence Livermore National Laboratory (LLNL) and ArcelorMittal USA Research LLC (“ArcelorMittal” as the Participant), to use scanning electron microscopy (SEM) images, computer vision and machine learning methods, and high-performance computing to accelerate the inclusion analysis process of liquid steel so that new methods can be used for near-real time process control on the shop floor.

36 MATERIALS SCIENCE↗

DOE OSTI2025

An Integral-based Technique to Accelerate the Monte Carlo Radiative Transfer Computation for Supernovae

We present an integral-based technique (IBT) algorithm to accelerate supernova (SN) radiative transfer calculations. The algorithm utilizes “integral packets,” which are calculated by the path integral of the Monte Carlo (MC) energy packets, to synthesize the observed spectropolarimetric signal at a given viewing direction in a 3D time-dependent radiative transfer program. Compared to the event-based technique (EBT) proposed by M. Bulla et al., our algorithm significantly reduces the computation time and increases the MC signal-to-noise ratio (S/N). Using a 1D spherical symmetric Type Ia SN ejecta model DDC10 and its derived 3D model, the IBT algorithm has successfully passed the verification of spherical symmetry and cross comparison on a 3D SN model with the direct-counting technique and EBT. Notably, with our algorithm implemented in the 3D MC radiative transfer code SEDONA, the computation time is faster than EBT by a factor of 10−30, and the S/N is better by a factor of 1.5−3, with the same number of MC quanta.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1984

Supersonic nonlinear potential analysis

The NCOREL computer code was established to compute supersonic flow fields of wings and bodies. The method encompasses an implicit finite difference transonic relaxation method to solve the full potential equation in a spherical coordinate system. Two basic topic to broaden the applicability and usefulness of the present method which is encompassed within the computer code NCOREL for the treatment of supersonic flow problems were studied. The first topic is that of computing efficiency. Accelerated schemes are in use for transonic flow problems. One such scheme is the approximate factorization (AF) method and an AF scheme to the supersonic flow problem is developed. The second topic is the computation of wake flows. The proper modeling of wake flows is important for multicomponent configurations such as wing-body and multiple lifting surfaces where the wake of one lifting surface has a pronounced effect on a downstream body or other lifting surfaces.

Siclari, M. J.↗

NASA NTRS1983

Flux-based acceleration of the Euler equations

A new coarse grid acceleration scheme for the Euler equations is presented. This flux based scheme eliminates the need, exhibited by previous accelerators, for computing flux vector Jacobian matrices. The method is derived and implemented in a two dimensional flow algorithm. Numerical results are presented for both subcritical and shocked, supercritical flow. These results demonstrate that the flux based accelerator is more efficient than its Jacobian based counterpart. Generalization to three dimensions is immediate. Construction of flux based accelerators for the Navier-Stokes equations is also discussed.

Johnson, G. M.↗