Final Report for "Accelerating large-scale beam dynamics simulations with GPUS"
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43 PARTICLE ACCELERATORS↗
SEARCH · Engineering Papers
Results for “accelerator simulation”
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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The simulation of space radiation damage to spacecraft systems.
Accelerator energies to simulate space radiation damage effects in spacecraft systems
ACCELERATOR↗
Suitability of Synthetic Driving Profiles from Traffic Micro-Simulation for Real-World Energy Analysis: Preprint
A shift towards increased levels of driving automation is generally expected to result in improved safety and traffic congestion outcomes. However, little empirical data exists to estimate the impact that automated driving could have on energy consumption and greenhouse gas emissions. In the absence of empirical data on differences between drive cycles from present day vehicles (primarily operated by humans) and future vehicles (partially or fully operated by computers) one approach is to model both situations over identical traffic conditions. Such an exercise requires traffic micro-simulation to not only accurately model vehicle operation under high levels of automation, but also (and potentially more challenging) vehicle operation under present day human drivers. This work seeks to quantify the ability of a commercial traffic micro-simulation program to accurately model real-world drive cycles in vehicles operated primarily by humans in terms of driving speed, acceleration, and simulated fuel economy. Synthetic profiles from models of freeway and arterial facilities near Atlanta, Georgia, are compared to empirical data collected from real-world drivers on the same facilities. Empirical and synthetic drive cycles are then simulated in a powertrain efficiency model to enable comparison on the basis of fuel economy. Synthetic profiles from traffic micro-simulation were found to exhibit low levels of transient behavior relative to the empirical data. Even with these differences, the synthetic and empirical data in this study agree well in terms of driving speed and simulated fuel economy. The differences in transient behavior between simulated and empirical data suggest that larger stochastic contributions in traffic micro-simulation (relative to those present in the traffic micro-simulation tool used in this study) are required to fully capture the arbitrary elements of human driving. Interestingly, the lack of stochastic contributions from models of human drivers in this study did not result in a significant discrepancy between fuel economy simulations based on synthetic and empirical data; a finding with implications on the potential energy efficiency gains of automated vehicle technology.
33 ADVANCED PROPULSION SYSTEMS↗
Design of the Experimental Exposure Conditions to Simulate Ionizing Radiation Effects on Candidate Replacement Materials for the Hubble Space Telescope
In this effort, experimental exposure times for monoenergetic electrons and protons were determined to simulate the space radiation environment effects on Teflon components of the Hubble Space Telescope. Although the energy range of the available laboratory particle accelerators was limited, optimal exposure times for 50 keV, 220 keV, 350 keV, and 500 KeV electrons were calculated that produced a dose-versus-depth profile that approximated the full spectrum profile, and were realizable with existing equipment. For the case of proton exposure, the limited energy range of the laboratory accelerator restricted simulation of the dose to a depth of .5 mil. Also, while optimal exposure times were found for 200 keV, 500 keV and 700 keV protons that simulated the full spectrum dose-versus-depth profile to this depth, they were of such short duration that the existing laboratory could not be controlled to within the required accuracy. In addition to the obvious experimental issues, other areas exist in which the analytical work could be advanced. Improved computer codes for the dose prediction- along with improved methodology for data input and output- would accelerate and make more accurate the calculational aspects. This is particularly true in the case of proton fluxes where a paucity of available predictive software appears to exist. The dated nature of many of the existing Monte Carlo particle/radiation transport codes raises the issue as to whether existing codes are sufficient for this type of analysis. Other areas that would result in greater fidelity of laboratory exposure effects to the space environment is the use of a larger number of monoenergetic particle fluxes and improved optimization algorithms to determine the weighting values.
Smith, L. Montgomery↗
Simulation and Experiment of Thermal Fatigue in the CPV Die Attach: Preprint
FEM simulation and accelerated thermal cycling have been performed for the CPV die attach. Trends in fatigue damage accumulation and equivalent test time are explored and found to be most sensitive to temperature ramp rate. Die attach crack growth is measured through cycling and found to be in excellent agreement with simulations of the inelastic strain energy accumulated. Simulations of anentire year of weather data provides for the relative ranking of fatigue damage between four cites as well as their equivalent accelerated test time.
14 SOLAR ENERGY↗
Measurement of performance using acceleration control and pulse control in simulated spacecraft docking operations
Nine commercial airline pilots served as test subjects in a study to compare acceleration control with pulse control in simulated spacecraft maneuvers. Simulated remote dockings of an orbital maneuvering vehicle (OMV) to a space station were initiated from 50, 100, and 150 meters along the station's -V-bar (minus velocity vector). All unsuccessful missions were reflown. Five way mixed analysis of variance (ANOVA) with one between factor, first mode, and four within factors (mode, bloch, range, and trial) were performed on the data. Recorded performance measures included mission duration and fuel consumption along each of the three coordinate axes. Mission duration was lower with pulse mode, while delta V (fuel consumption) was lower with acceleration mode. Subjects used more fuel to travel faster with pulse mode than with acceleration mode. Mission duration, delta V, X delta V, Y delta V., and Z delta V all increased with range. Subjects commanded the OMV to 'fly' at faster rates from further distances. These higher average velocities were paid for with increased fuel consumption. Asymmetrical transfer was found in that the mode transitions could not be predicted solely from the mission duration main effect. More testing is advised to understand the manual control aspects of spaceflight maneuvers better.
Brody, Adam R.↗
High-repetition-rate particle injector for electrostatic accelerator
Operation of high impact rate particle injector for electrostatic accelerator to simulate long-term micrometeoroid bombardment
IMPACT TESTING MACHINE↗
A Case Study of Truncated Electrostatics for Simulation of Polyelectrolyte Brushes on GPU Accelerators
Numerous issues have disrupted the trend for increasing computational performance with faster CPU clock frequencies. In order to exploit the potential performance of new computers, it is becoming increasingly desirable to re-evaluate computational physics methods and models with an eye towards towards approaches that allow for increased concurrency and data locality. The evaluation of long-range Coulombic interactions is a common bottleneck for molecular dynamics simulations. Enhanced truncation approaches have been proposed as an alternative method and are particularly well suited for many-core architectures and GPUs due to the inherent fine-grain parallelism that can be exploited. In this paper, we compare efficient truncation-based approximations to evaluation of electrostatic forces with the more traditional particle-particle particle-mesh (P3M) method for molecular dynamics simulation of polyelectrolyte brush layers. We show that with the use of GPU accelerators, large parallel simulations using P3M can be greater than 3 times faster due to a reduction in the mesh-size required. Alternatively, using a truncation-based scheme can improve performance even further. This approach can be up to 3.9 times faster than GPU-accelerated P3M for many polymer systems and results in accurate calculation of shear velocities and disjoining pressures for brush layers. For configurations with highly non-uniform charge distributions, however, we find that it is more efficient to use P3M; for these systems, computationally efficient parameterizations of the truncation-based approach do not produce accurate counterion density profiles or brush morphologies.
Nguyen, Trung D↗
Systematic coarse-grained modeling of complexation between small interfering RNA and polycations
All-atom molecular dynamics simulations can provide insight into the properties of polymeric gene-delivery carriers by elucidating their interactions and detailed binding patterns with nucleic acids. However, to explore nanoparticle formation through complexation of these polymers and nucleic acids and study their behavior at experimentally relevant time and length scales, a reliable coarse-grained model is needed. Here, we systematically develop such a model for the complexation of small interfering RNA (siRNA) and grafted polyethyleneimine copolymers, a promising candidate for siRNA delivery. We compare the predictions of this model with all-atom simulations and demonstrate that it is capable of reproducing detailed binding patterns, charge characteristics, and water release kinetics. Since the coarse-grained model accelerates the simulations by one to two orders of magnitude, it will make it possible to quantitatively investigate nanoparticle formation involving multiple siRNA molecules and cationic copolymers.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Upper Arctic Ocean Properties and Relationships with Sea Ice in CMIP6 Historical Simulations
While current-generation CMIP and OMIP models have clear biases in their upper Arctic Ocean hydrography, it is less clear how these biases impact the models' ability to simulate the observed Arctic sea ice mean state and trends. In this study we seek to quantify cross-relationship between sea ice and ocean states in CMIP6 historical simulations and identify common model behaviors. Multi-model mean (MMM) simulations exhibit accelerated changes in the ice and ocean system since the late 20th century. Underlying the MMM is strong inter-model variation in the simulated ice and ocean mean states and their temporal variability including trends. Despite such inter-model differences, all models show a similar ratio between sea ice reduction and upper ocean warming such that models with higher ocean warming also have higher SIE reduction and vice versa. Our results also highlight the urgent needs of reliable Arctic Ocean observations or data products in order to better contextualize modeling results.
Upper Arctic Ocean↗
Monte Carlo simulation of collisionless shocks showing preferential acceleration of high A/Z particles
A collisionless quasi-parallel shock is simulated by Monte Carlo techniques. The scattering of all velocity particles from thermal to high energy is assumed to occur so that the mean free path is directly proportional to velocity times the mass-to-charge-ratio, and inversely proporational to the plasma density. The shock profile and velocity spectra are obtained, showing preferential acceleration of high A/Z particles relative to protons. The inclusion of the back pressure of the scattering particles on the inflowing plasma produces a smoothing of the shock profile, which implies that the spectra are steeper than for a discontinuous shock.
Ellison, D. C.↗
Operational characteristics of the flight acceleration facility of the nasa manned spacecraft center, houston, texas.
Planned operational characteristics of flight acceleration facility /centrifuge/ of nasa manned spacecraft center
FLIGHT SIMULATOR↗
PBG-slab Embedded Traveling Wave Structure for Planar Beam Accelerator Application
The oversized traveling wave (TE10-mode) channel integrated with the photonic-band-gap (PBG) slab arrays have been investigated for planar beam accelerator application. Simulation analysis showed that the slab arrays allow only the PBG-modes ( 5-6 GHz) to propagate with ~ 2 dB of insertion loss, corresponding to ~ 1.14 dB/cm attenuation, which thereby effectively suppresses trapped non-PBG modes down to ~ -14.3 dB/cm. It will enable monochromatic propagation of fundamental acceleration modes al ong the heavily over-moded planar waveguide without anomalous excitation of unstable trapped HOMs. The saturated maximum field gradients of the accelerating structure have been analyzed with respect to operational frequency bands corresponding to structur al sizes. The field gradient of the guided PBG-mode has been investigated with finite-integral-method (FIM) simulations at W-band. This mode-filter could be utilized for HOM dampers in high aspect ratio (HAR) planar beam accelerators. An experimental test is currently under consideration.
43 PARTICLE ACCELERATORS↗
Acceleration and stability of a high-current ion beam in induction fields
A one-dimensional nonlinear analytic theory of the filamentation instability of a high-current ion beam is formulated. The results of 2.5-dimensional numerical particle-in-cell simulations of acceleration and stability of an annular compensated ion beam (CIB) in a linear induction particle accelerator are presented. It is shown that additional transverse injection of electron beams in magnetically insulated gaps (cusps) improves the quality of the ion-beam distribution function and provides uniform beam acceleration along the accelerator. The CIB filamentation instability in both the presence and the absence of an external magnetic field is considered.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Advanced Beamline Design for Fermilab's Advanced Superconducting Test Accelerator
The Advanced Superconducting Test Accelerator (ASTA) at Fermilab is a new electron accelerator currently in the commissioning stage. In addition to testing superconducting accelerating cavities for future accelerators, it is foreseen to support a variety of Advanced Accelerator R&D (AARD) experiments. Producing the required electron bunches with the expected flexibility is challenging. The goal of this dissertation is to explore via numerical simulations new accelerator beamlines that can enable the advanced manipulation of electron bunches. The work especially includes the design of a low-energy bunch compressor and a study of transverse-to-longitudinal phase space exchangers.
43 PARTICLE ACCELERATORS↗
Quantum magic and multipartite entanglement in the structure of nuclei
Motivated by the Gottesman-Knill theorem, we present a detailed study of the quantum complexity of p -shell and s d -shell nuclei. Valence-space nuclear shell-model wave functions generated by the code are mapped to qubit registers using the Jordan-Wigner mapping (12 qubits for the p shell and 24 qubits for the s d shell), from which measures of the many-body entanglement ( n -tangles) and magic (nonstabilizerness) are determined. While exact evaluations of these measures are possible for nuclei with a modest number of active nucleons, Monte Carlo simulations are required for the more complex nuclei. The broadly applicable Pauli-string I ̂ Z ̂ exact (PSIZe) Markov chain Monte Carlo (MCMC) technique is introduced to accelerate the evaluation of measures of magic in deformed nuclei (with hierarchical wave functions), by factors of ≈ 8 for some nuclei. Significant multinucleon entanglement is found in the s d shell, dominated by proton-neutron configurations, along with significant measures of magic. This is evident not only for the deformed states, but also for nuclei on the path to instability via regions of shape coexistence and level inversion. These results indicate that quantum-computing resources will accelerate precision simulations of such nuclei and beyond. Published by the American Physical Society 2025
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
High-Fidelity Accelerated Design of High-performance Electrochemical Systems
Large-scale electrification is vital to addressing the climate crisis, but several scientific and technological challenges remain to fully electrify both the chemical industry and transportation. In both of these areas, new electrochemical materials will be critical, but their development currently relies heavily on human-time-intensive experimental trial and error and computationally expensive first-principles, meso-scale and continuum simulations. To accelerate this process, our team has developed the AutoMat platform. AutoMat can accelerate development of new electrochemical materials along two avenues: first, automated input generation and management of simulations at multiple lengthscales as well as “handoff” of outputs from one lengthscale as inputs to the next; and second, replacement of the most computationally intensive simulation processes with machine-learned surrogate models. The crux of our team’s effort was not “reinventing the wheel” by developing entirely new techniques, but rather building a “superhighway” that allows existing state-of-the-art techniques to run faster and more smoothly than before. AutoMat can utilize tools spanning from first-principles quantum chemistry computations to automated robotic experimentation, and is driven by design space search techniques to reduce the number of iterations through the full simulation loop by rapidly targeting promising regions of design spaces such as single-atom alloy catalysts or blends of liquid electrolytes.
25 ENERGY STORAGE↗
Fast QSTS for Distributed PV Impact Studies Using Vector Quantization and Variable Time-Steps
As the penetration level of PV systems increases, utilities are in great need of methods to quickly and effectively analyze PV's impact on electric distribution systems. Compared to other conventional methods, quasi-static time-series (QSTS) based analysis has demonstrated its advantages of accurately capturing the impact of interest, e.g. control device operations, and min and max voltages. However, yearlong QSTS simulation with 1-second granularity is currently too computationally expensive for regular use. Therefore, vector quantization (VQ) and variable time-step (VTS) solution methods have been developed to accelerate QSTS simulation. This paper proposes the combination of VQ with VTS. We investigate the effectiveness of implementing VQ in combination with 2 VTS algorithms, predetermined time-step (PT) and VTS with backtrack downsampling (VTS-BD) to demonstrate a runtime reduction of 99.55% with error metrics below acceptable thresholds.
14 SOLAR ENERGY↗