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At least 829 records · Page 46

A fast implicit solver for semiconductor models in one space dimension

Several different approaches are proposed for solving fully implicit discretizations of a simplified Boltzmann-Poisson system with a linear relaxation-type collision kernel. This system models the evolution of free electrons in semiconductor devices under a low-density assumption. At each implicit time step, the discretized system is formulated as a fixed-point problem, which can then be solved with a variety of methods. A key algorithmic component in all the approaches considered here is a recently developed sweeping algorithm for Vlasov-Poisson systems. A synthetic acceleration scheme has been implemented to accelerate the convergence of iterative solvers by using the solution to a drift-diffusion equation as a preconditioner. The performance of four iterative solvers and their accelerated variants has been compared on problems modeling semiconductor devices with various electron mean-free-path.

97 MATHEMATICS AND COMPUTING↗

Cloud Services Enable Efficient AI-Guided Simulation Workflows across Heterogeneous Resources

Applications which fuse machine learning and simulation are rarely best served by a single computing resource. Highly parallel simulation codes are best deployed on super- computers, while AI tasks used to decide which simulations to perform may be best suited to specialized accelerators. Here we present a Function-as-a-Service (FaaS) system for executing complex, distributed computational campaigns that achieves performance parity with conventional workflow systems without the complexities of secure network connections between compute providers. One innovation enabling high performance is a subsystem that directly moves task data between sites, separate from the cloud-hosted FaaS system used to distribute task instructions. We also introduce a flexible scheduling system that allows us access factor of 2 trade offs between the amount of resources required to solve a problem at each compute site. We anticipate that this system will upgrade multi-site applications from demonstration projects to routine practice in computational science.

Ward, Logan↗

Computationally efficient evaluation of optimum homogeneous charge compression ignition operating range with accelerated multizone engine cycle simulation

The very intensive calculations necessary to define a performance map requiring evaluation of over a hundred individual operating points can be efficiently conducted with accelerated multizone for engine cycle simulation, leading to a definition of regions of acceptable and optimum homogeneous charge compression ignition operation. Accelerated multizone for engine cycle simulation has the virtue of enabling accurate evaluation of many operating conditions based on thermal stratification data from a single fluid mechanics run at motored conditions. This is possible because thermal stratification is more sensitive to engine geometry than to operating conditions. In this article, accuracy of accelerated multizone for engine cycle simulation is demonstrated by comparison with experimental data for iso-octane homogeneous charge compression ignition operation over a broad range of lean equivalence ratios (0.14–0.28). The validated accelerated multizone for engine cycle simulation model is then applied to generating a performance map for an engine controlled by appropriately adjusting equivalence ratio and internal exhaust gas recirculation. Regions of acceptable and optimum combustion are identified. It is finally demonstrated that while indicated mean effective pressure remains low for optimum homogeneous charge compression ignition operation (1–4 bar), this is sufficient for a large fraction of typical driving in light-duty vehicles. Much driving including idle can therefore be done in homogeneous charge compression ignition mode at high efficiency and low (essentially zero) NOx and particulate matter emissions.

30 DIRECT ENERGY CONVERSION↗

Modeled Results of Four Residential Energy Efficiency Measure Packages for Deriving Advanced Building Construction Research Targets

The Advanced Building Construction (ABC) Initiative from the U.S. Department of Energy Building Technologies Office is working to accelerate industrialized construction innovations for decarbonizing buildings. To inform performance and cost targets for research under the ABC Initiative, this analysis used the ResStock™ tool to evaluate the energy savings, utility bill impacts, and carbon emissions impacts of four simulated upgrade packages with specific target performance levels on a large sample of residential dwelling units (approximately 550,000) representative of the U.S. housing stock.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Accelerating Thermochemical Equilibrium Calculations for Nuclear Reactor Applications

Thermochemical properties play a key role in modeling and simulation of several key phenomena in nuclear reactors. There has been an increasing interest in incorporating CALPHAD-based formulations in multiphysics simulations including for Molten Salt Reactors where knowledge of phase evolution of the salt and the chemical potentials of various elements are of utmost importance in source term analyses and redox control. However, the size of such simulations is often limited by the high computational cost of full thermodynamic equilibrium calculations. This work discusses the current efforts aimed at accelerating thermochemical equilibrium calculations for multiphysics simulations performed using the open-source finite element / finite volume code Multiphysics Object Oriented Simulation Environment (MOOSE) [1]. While several methods have been proposed for accelerating phase equilibrium calculations [2], most focus on relatively small systems and often rely on a- priori knowledge of the state-space of the system. Nuclear materials, however, are often multi-component systems owing to the evolution of composition under irradiation and an approach based on a-priori mapping of phase diagram is often not enough. This work is aimed at demonstrating an on-the-fly surrogate modeling framework that uses active learning to reduce the number of full equilibrium calculations that must be performed. By combining with efficient coupling approaches, the surrogate framework helps in reducing the computational cost of thermodynamic equilibrium informed multiphysics simulations of nuclear materials. The performance is benchmarked against full coupling with the thermochemistry library Thermochimica [3]. This work uses a machine learning based approach for constructing surrogate models to predict the stable phases in a multicomponent system. The surrogates were constructed using neural networks and Gaussian process classification. In this work, we compare the relative performance of the two methods. We also demonstrate the use of caching previous calculations by interpolating the values from nearest neighbors. References [1] Lindsay, A.D., et al. "2.0 – MOOSE: Enabling massively parallel multiphysics simulation", SoftwareX, 20 (2022): 101202. [2] Roos, W.A. and Zietsman J.H. "Accelerating complex chemical equilibrium calculations – A Review", Calphad, 77 (2022): 102380. [3] Piro, M.H.A., et al. "The thermochemistry library Thermochimica", Computational Materials Science, 67 (2013): 266-272.

36 MATERIALS SCIENCE↗

Application of Superconducting Cavities as Ultra-Sensitive RF Photon Detectors

Superconducting radio frequency (SRF) cavities are the world’s most efficient engineered oscillators, and they have long been employed for extremely high efficiency transfer of energy to beams of charged particles. Decades of R&D for particle accelerators have led to modern treatments for SRF cavities that achieve higher performance than was previously possible. Advanced SRF cavities using particle accelerator technology are now being used to search for new physics, including dark matter and gravitational waves. The extremely high Q makes it possible to search for very small signals from photons in the radio frequency range, and the extremely high electric fields makes it possible to perform experiments that involve pumping one mode of a cavity in order to search for power transfer mediated by new physics. This talk will present novel experiments that employ SRF cavities, including searches for axions and dark photons dark matter, light-shining-through-walls, and high frequency gravitational waves. Results to be presented include searches with world record sensitivity.

43 PARTICLE ACCELERATORS↗

A GPU-Accelerated Population Generation, Sorting, and Mutation Kernel for an Optimization-Based Causal Inference Model

We develop a GPU-accelerated machine learning generative adversarial network model that can be used with observational data for the purpose of constructing causal inferences. The theoretical basis of our machine learning model is novel and is conceptualized to be operable and scalable for high performance computing platforms. Our GPU-accelerated code enables large-scale parallelization of the computation within a common and accessible computing environment. This will expand the reach of our model and empower research in new substantive domains while maintaining the underlying theoretical properties.

Cho, Wendy K. Tam↗

Stereoscopic detection of hot spots in superfluid 4 He (He II) for accelerator-cavity diagnosis

Superconducting radio-frequency (SRF) cavities cooled by superfluid 4He (He II) are building blocks of many modern particle accelerators due to their high quality factor. However, Joule heating from sub-millimeter surface defects on cavities can lead to cavity quenching, which limits the maximum acceleration gradient of the accelerators. Developing a non-contacting detection technology to accurately locate these surface hot spots is the key to improve the performance of SRF cavities and hence the accelerators. In a recent proof-of-concept experiment, we demonstrated that a molecular tagging velocimetry (MTV) technique based on the tracking of a He molecular tracer line created nearby a surface hot spot in He II can be utilized to locate the hot spot. In order to make this technique practically useful, here we describe our further development of a stereoscopic MTV setup for tracking the tracer line’s motion in three-dimensional (3D) space. We simulate a quench spot by applying a transient voltage pulse to a small heater mounted on a substrate plate. Images of the drifted tracer line, taken with two cameras from orthogonal directions, are used to reconstruct the line profile in 3D space. Here, a new algorithm for analyzing the 3D line profile is developed, which incorporates the finite size effect of the heater. We show that the center location of the heater can be reproduced on the substrate surface with an uncertainty of only a few hundred microns, thereby proving the practicability of this method.

43 PARTICLE ACCELERATORS↗

Single-Shot Multi-keV X-Ray Absorption Spectroscopy Using an Ultrashort Laser-Wakefield Accelerator Source

We report that single-shot absorption measurements have been performed using the multi-keV x rays generated by a laser-wakefield accelerator. A 200 TW laser was used to drive a laser-wakefield accelerator in a mode which produced broadband electron beams with a maximum energy above 1 GeVand a broad divergence of ≈15 mrad FWHM. Betatron oscillations of these electrons generated 1.2 ± 0.2 x 10 6 photons/eV in the 5 keV region, with a signal-to-noise ratio of approximately 300:1. This was sufficient to allow high-resolution x-ray absorption near-edge structure measurements at the K edge of a titanium sample in a single shot. We demonstrate that this source is capable of single-shot, simultaneous measurements of both the electron and ion distributions in matter heated to eV temperatures by comparison with density functional theory simulations. The unique combination of a high-flux, large bandwidth, few femtosecond duration x-ray pulse synchronized to a high-power laser will enable key advances in the study of ultrafast energetic processes such as electron-ion equilibration.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Alternate Methods of Model Reduction to Avoid Dynamic Modal Truncation Error

Loads analysis is traditionally performed using dynamically reduced models, which provides the benefit to reduce run time. If the reduced model frequency cutoff is not chosen appropriately, the model will lack the dynamic content required to fully represent the response of the non-reduced model. Standard guidance for reduced model frequency content, provided in NASA-STD-5002, is to solve fixed base modes up to a minimum of 1.5x the model frequency content of interest and to employ static modal truncation methods such as residual vectors, the mode acceleration method, and the residual flexibility method to account for the truncated flexibility of the missing modes. Fixed base modes require the selection of a set of degrees of freedom to be constrained which, if not properly selected, may affect the accuracy of the reduced model by excluding some of the dynamic characteristic of the full model. In this case, the standard NASA guidance would be insufficient, but it may not be readily apparent that a portion of the reduced model response is missing. This error was encountered during an independent verification and validation (IV&V) effort, where it was observed that the resulting dynamic response was lower than the inline analysis. In this specific case, despite following the standard NASA model reduction guidelines in the selection of the frequency cutoff, the inline model still did not fully capture the necessary dynamic content. As part of the IV&V, an alternate reduction methodology was employed using an unconstrained mode acceleration method. The original model initially performed a constrained reduction to twice the frequency content of interest before doing a free-free run, employing the mode acceleration method to account for the truncated modes. In contrast in the IV&V, the unconstrained model reduced directly to the needed frequency content of the free-free run, avoiding any interactions between constraints and dynamic content. To verify the model, the original reduction methodology was used to generate a series of Hurty-Craig-Bampton reductions, each with a higher frequency cutoff than the previous. The results were shown to converge once the frequency cutoff increased past eight times the frequency content of interest. At the same frequency cutoff, the results of the Hurty-Craig-Bampton model converged with the results of the unconstrained mode acceleration model. This comparative study provided confidence that the results of the unconstrained modal acceleration reduced model were correct and that the Hurty-Craig-Bampton needed to increase its frequency cutoff to fully capture the dynamic response.

Erin Simmons↗

Alternate Methods of Model Reduction to Avoid Dynamic Modal Truncation Error

Loads analysis is traditionally performed using dynamically reduced models, which provides the benefit to reduce run time. If the reduced model frequency cutoff is not chosen appropriately, the model will lack the dynamic content required to fully represent the response of the non-reduced model. Standard guidance for reduced model frequency content, provided in NASA-STD-5002, is to solve fixed base modes up to a minimum of 1.5x the model frequency content of interest and to employ static modal truncation methods such as residual vectors, the mode acceleration method, and the residual flexibility method to account for the truncated flexibility of the missing modes. Fixed base modes require the selection of a set of degrees of freedom to be constrained which, if not properly selected, may affect the accuracy of the reduced model by excluding some of the dynamic characteristic of the full model. In this case, the standard NASA guidance would be insufficient, but it may not be readily apparent that a portion of the reduced model response is missing. This error was encountered during an independent verification and validation (IV&V) effort, where it was observed that the resulting dynamic response was lower than the inline analysis. In this specific case, despite following the standard NASA model reduction guidelines in the selection of the frequency cutoff, the inline model still did not fully capture the necessary dynamic content. As part of the IV&V, an alternate reduction methodology was employed using an unconstrained mode acceleration method. The original model initially performed a constrained reduction to twice the frequency content of interest before doing a free-free run, employing the mode acceleration method to account for the truncated modes. In contrast in the IV&V, the unconstrained model reduced directly to the needed frequency content of the free-free run, avoiding any interactions between constraints and dynamic content. To verify the model, the original reduction methodology was used to generate a series of Hurty-Craig-Bampton reductions, each with a higher frequency cutoff than the previous. The results were shown to converge once the frequency cutoff increased past eight times the frequency content of interest. At the same frequency cutoff, the results of the Hurty-Craig-Bampton model converged with the results of the unconstrained mode acceleration model. This comparative study provided confidence that the results of the unconstrained modal acceleration reduced model were correct and that the Hurty-Craig-Bampton needed to increase its frequency cutoff to fully capture the dynamic response.

Erin Simmons↗

Conversion of the LLNL/CAMS 1 MV biomedical AMS system to a semi-automated natural abundance 14C spectrometer: system optimization and performance evaluation

The Lawrence Livermore National Laboratory – Center for Accelerator Mass Spectrometry compact 1 MV biomedical accelerator mass spectrometer was repurposed and optimized for the semi-automated radiocarbon measurement of natural abundance environmental samples. Here we present results from 15 months of routine system operation and evaluate the system performance based on 30 sample wheels measured with consistent operating conditions over 7 months from August 2019 to March 2020. Additionally, the average measurement precision was 2.7 ± 0.7‰. System accuracy was assessed with measurements of 14 C-free materials, standard materials with 14 C-content spanning 0.5 to 1.5 F 14 C, and by comparison to split samples measured with the 10 MV AMS system. Overall, this system can routinely measure samples as small as 300 µgC and less than 33000 years without the need for size-specific correction protocols.

43 PARTICLE ACCELERATORS↗

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]↗

cuAlign: Scalable Network Alignment on GPU Accelerators

Given two graphs, the objective of network alignment is to find the best one-to-one mapping of vertices in one graph (??) to vertices in the other (??), such that the number of overlaps is maximized. We say that edges(??, ??) ???and(??', ??') ??? are overlapped if ?? is mapped to ??' and ?? is mapped to??'. Network alignment is an important optimization problem with several applications in bioinformatics, computer vision and ontology matching. Since it is an NP-hard problem, efficient heuristics and scalable implementations are necessary. In this work, we introduce a new framework that combines the concepts of intra-network proximity using vertex embedding,Belief Propagation (BP) and approximate weighted matching, and provides qualitative improvements up to22%over state-of-the-art approaches. We also provide scalable implementations on GPU accelerators, demonstrating up to19×speedup for Belief Propagation and 3× speedup for approximate weighted matching relative to previous multithreaded implementation. A combination of combinatorial and algebraic kernels within the network alignment algorithm poses significant hurdles for parallelization. Load imbalance and irregular DRAM traffic limit achievable performance on GPUs. Our novel approach identifies and exploits unique structural proper-ties of the BP-based algorithm and employs code fusion to reduce data movement between different steps of the algorithm. Using a diverse set of inputs, we demonstrate qualitative improvements of our algorithms, and performance gains of our GPU-accelerated implementation. We believe that our work will enable algorithmic improvements and practical applications of network alignment.

Xiang, Lizhi↗

A simplified flight-test method for determining aircraft takeoff performance that includes effects of pilot technique

A method for evaluating aircraft takeoff performance from brake release to air-phase height that requires fewer tests than conventionally required is evaluated with data for the XB-70 airplane. The method defines the effects of pilot technique on takeoff performance quantitatively, including the decrease in acceleration from drag due to lift. For a given takeoff weight and throttle setting, a single takeoff provides enough data to establish a standardizing relationship for the distance from brake release to any point where velocity is appropriate to rotation. The lower rotation rates penalized takeoff performance in terms of ground roll distance; the lowest observed rotation rate required a ground roll distance that was 19 percent longer than the highest. Rotations at the minimum rate also resulted in lift-off velocities that were approximately 5 knots lower than the highest rotation rate at any given lift-off distance.

Larson, T. J.↗

GPU Acceleration of VULCAN-CFD

This work presents a comprehensive overview of recent advancements in the application of GraphicsProcessing Units (GPUs) to accelerate the NASA-developed VULCAN-CFD code for hypersonic flow sim-ulations. The unstructured solver in VULCAN-CFD is undergoing a significant rewrite from modern Fortranto C++, enabling its execution on both GPUs and CPUs through the utilization of Kokkos, a programmingmodel for performance portability developed by Sandia National Labs. The paper outlines some modifica-tions that were made in the original implementation of VULCAN-CFD in order to harness the computationalpower of GPUs. Finally, we demonstrate performance improvements achieved through GPU acceleration.The accelerated code throughput on one GPU is shown to match approximately 200 CPU cores for bothsingle species and multi-species reacting cases.

Matthew O'Connell↗