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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

MAGNETIC-ISLAND CONTRACTION AND PARTICLE ACCELERATION IN SIMULATED ERUPTIVE SOLAR FLARES

The mechanism that accelerates particles to the energies required to produce the observed high-energy impulsive emission in solar flares is not well understood. Drake et al. proposed a mechanism for accelerating electrons in contracting magnetic islands formed by kinetic reconnection in multi-layered current sheets (CSs). We apply these ideas to sunward-moving flux ropes (2.5D magnetic islands) formed during fast reconnection in a simulated eruptive flare. A simple analytic model is used to calculate the energy gain of particles orbiting the field lines of the contracting magnetic islands in our ultrahigh-resolution 2.5D numerical simulation. We find that the estimated energy gains in a single island range up to a factor of five. This is higher than that found by Drake et al. for islands in the terrestrial magnetosphere and at the heliopause, due to strong plasma compression that occurs at the flare CS. In order to increase their energy by two orders of magnitude and plausibly account for the observed high-energy flare emission, the electrons must visit multiple contracting islands. This mechanism should produce sporadic emission because island formation is intermittent. Moreover, a large number of particles could be accelerated in each magnetohydrodynamic-scale island, which may explain the inferred rates of energetic-electron production in flares. We conclude that island contraction in the flare CS is a promising candidate for electron acceleration in solar eruptions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

Community Petascale Project for Accelerator Science and Simulation: Advancing Computational Science for Future Accelerators and Accelerator Technologies

The design and performance optimization of particle accelerators are essential for the success of the DOE scientific program in the next decade. Particle accelerators are very complex systems whose accurate description involves a large number of degrees of freedom and requires the inclusion of many physics processes. Building on the success of the SciDAC-1 Accelerator Science and Technology project, the SciDAC-2 Community Petascale Project for Accelerator Science and Simulation (ComPASS) is developing a comprehensive set of interoperable components for beam dynamics, electromagnetics, electron cooling, and laser/plasma acceleration modelling. ComPASS is providing accelerator scientists the tools required to enable the necessary accelerator simulation paradigm shift from high-fidelity single physics process modeling (covered under SciDAC1) to high-fidelity multiphysics modeling. Our computational frameworks have been used to model the behavior of a large number of accelerators and accelerator R&D experiments, assisting both their design and performance optimization. As parallel computational applications, the ComPASS codes have been shown to make effective use of thousands of processors. ComPASS is in the first year of executing its plan to develop the next-generation HPC accelerator modeling tools. ComPASS aims to develop an integrated simulation environment that will utilize existing and new accelerator physics modules with petascale capabilities, by employing modern computing and solver technologies. The ComPASS vision is to deliver to accelerator scientists a virtual accelerator and virtual prototyping modeling environment, with the necessary multiphysics, multiscale capabilities. The plan for this development includes delivering accelerator modeling applications appropriate for each stage of the ComPASS software evolution. Such applications are already being used to address challenging problems in accelerator design and optimization. The ComPASS organization for software development and applications accounts for the natural domain areas (beam dynamics, electromagnetics, and advanced acceleration), and all areas depend on the enabling technologies activities, such as solvers and component technology, to deliver the desired performance and integrated simulation environment. The ComPASS applications focus on computationally challenging problems important for design or performance optimization to all major HEP, NP, and BES accelerator facilities. With the cost and complexity of particle accelerators rising, the use of computation to optimize their designs and find improved operating regimes becomes essential, potentially leading to significant cost savings with modest investment.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Elucidating ion capture and transport mechanisms of Preyssler anions in aqueous solutions using biased MACE-accelerated MD simulations

Equilibrium and biased multi-atomic cluster expansion (MACE) accelerated molecular dynamics (MD) simulations in aqueous solutions are performed to investigate the ion capture and transport mechanisms of the {P 5 W 30 } Preyssler anion (PA) as the smallest representative member of the extended polyoxometalate (POM) family with an internal cavity. The unique interatomic interactions present in the internal cavity vs the exterior of PA are carefully investigated using equilibrium MACE MD simulations for two representative Na(H 2 O)@PA and Na@PA complexes in aqueous solutions. Our careful analyses of radial distribution functions and coordination numbers show that the presence of confined water in Na(H 2 O)@PA has profound modulating effects on the nature of the interactions of the encapsulated ion with the oxygens of the PA cavity. Using well-converged MACE-accelerated multiple walker well-tempered metadynamics simulations with nanosecond timescales, two different associative (ion exchange) and dissociative (ion ejection) ion transport mechanisms were carefully investigated for Na + as one of the most abundant and representative ions present in seawater and saline solutions. By comparing systems with and without confined water, it was found that the presence of only one pre-encapsulated confined water in Na(H 2 O)@PA dramatically changes the free energy landscape of ion transport processes. It was also found that the contraction and dilation of the two windows present in PA directly influence the Na + and H 2 O transport. Furthermore, the results from this work are helpful, as they show a viable path toward tuning the ion exchange and transport phenomena in aqueous solutions of POM molecular clusters and frameworks.

25 ENERGY STORAGE↗
DOE OSTI2011

Commnity Petascale Project for Accelerator Science And Simulation: Advancing Computational Science for Future Accelerators And Accelerator Technologies

The design and performance optimization of particle accelerators are essential for the success of the DOE scientific program in the next decade. Particle accelerators are very complex systems whose accurate description involves a large number of degrees of freedom and requires the inclusion of many physics processes. Building on the success of the SciDAC-1 Accelerator Science and Technology project, the SciDAC-2 Community Petascale Project for Accelerator Science and Simulation (ComPASS) is developing a comprehensive set of interoperable components for beam dynamics, electromagnetics, electron cooling, and laser/plasma acceleration modelling. ComPASS is providing accelerator scientists the tools required to enable the necessary accelerator simulation paradigm shift from high-fidelity single physics process modeling (covered under SciDAC1) to high-fidelity multiphysics modeling. Our computational frameworks have been used to model the behavior of a large number of accelerators and accelerator R&D experiments, assisting both their design and performance optimization. As parallel computational applications, the ComPASS codes have been shown to make effective use of thousands of processors.

43 PARTICLE ACCELERATORS↗
NASA NTRS2016

Magnetic-Island Contraction and Particle Acceleration in Simulated Eruptive Solar Flares

The mechanism that accelerates particles to the energies required to produce the observed high-energy impulsive emission in solar flares is not well understood. Drake et al. proposed a mechanism for accelerating electrons in contracting magnetic islands formed by kinetic reconnection in multi-layered current sheets (CSs). We apply these ideas to sunward-moving flux ropes (2.5D magnetic islands) formed during fast reconnection in a simulated eruptive flare. A simple analytic model is used to calculate the energy gain of particles orbiting the field lines of the contracting magnetic islands in our ultrahigh-resolution 2.5D numerical simulation. We find that the estimated energy gains in a single island range up to a factor of five. This is higher than that found by Drake et al. for islands in the terrestrial magnetosphere and at the heliopause, due to strong plasma compression that occurs at the flare CS. In order to increase their energy by two orders of magnitude and plausibly account for the observed high-energy flare emission, the electrons must visit multiple contracting islands. This mechanism should produce sporadic emission because island formation is intermittent. Moreover, a large number of particles could be accelerated in each magneto hydro dynamic-scale island, which may explain the inferred rates of energetic-electron production in flares. We conclude that island contraction in the flare CS is a promising candidate for electron acceleration in solar eruptions.

Guidoni, S. E.↗
DOE OSTI2011

Curved Mesh Correction And Adaptation Tool to Improve COMPASS Electromagnetic Analyses

SLAC performs large-scale simulations for the next-generation accelerator design using higher-order finite elements. This method requires using valid curved meshes and adaptive mesh refinement in complex 3D curved domains to achieve its fast rate of convergence. ITAPS has developed a procedure to address those mesh requirements to enable petascale electromagnetic accelerator simulations by SLAC. The results demonstrate that those correct valid curvilinear meshes can not only make the simulation more reliable but also improve computational efficiency up to 30%. This paper presents a procedure to track moving adaptive mesh refinement in curved domains. The procedure is capable of generating suitable curvilinear meshes to enable large-scale accelerator simulations. The procedure can generate valid curved meshes with substantially fewer elements to improve the computational efficiency and reliability of the COMPASS electromagnetic analyses. Future work will focus on the scalable parallelization of all steps for petascale simulations.

43 PARTICLE ACCELERATORS↗
NASA NTRS2009

Accelerating Climate Simulations Through Hybrid Computing

Unconventional multi-core processors (e.g., IBM Cell B/E and NYIDIDA GPU) have emerged as accelerators in climate simulation. However, climate models typically run on parallel computers with conventional processors (e.g., Intel and AMD) using MPI. Connecting accelerators to this architecture efficiently and easily becomes a critical issue. When using MPI for connection, we identified two challenges: (1) identical MPI implementation is required in both systems, and; (2) existing MPI code must be modified to accommodate the accelerators. In response, we have extended and deployed IBM Dynamic Application Virtualization (DAV) in a hybrid computing prototype system (one blade with two Intel quad-core processors, two IBM QS22 Cell blades, connected with Infiniband), allowing for seamlessly offloading compute-intensive functions to remote, heterogeneous accelerators in a scalable, load-balanced manner. Currently, a climate solar radiation model running with multiple MPI processes has been offloaded to multiple Cell blades with approx.10% network overhead.

Zhou, Shujia↗
DOE OSTI2022

Transport and losses of fusion-born alpha particles in the presence of tearing modes using the new Toroidal Accelerated Particle Simulator (TAPaS)

Here, the transport and losses of fusion-born alpha particles are studied in the presence of a single-helicity tearing mode, characterized by (m = 2, n = 1). The analysis is performed by means of the recently developed Toroidal Accelerated Particle Simulator (TAPaS). Although such modes have usually been believed to result only in a local flattening of the radial profiles, it is shown that the density profile can exhibit a global modification leading to significant losses of alpha particles. This is due to the fact that, although the magnetic field does not exhibit any chaotic behaviour, the trajectories of alpha particles do, as revealed by their Poincaré maps. Such results are in qualitative agreement with past observations and simulations of energetic particles generated by neutral beam injection in TFTR, DIII-D and AUG tokamaks. In-depth analysis is carried out to characterize the impact of the tearing mode on the transport and losses of fusion-born alpha-particles with a realistic density profile. The impact of the amplitude is evidenced. Moreover, the effect of the island rotation frequency is assessed based on a detailed analysis of the linear resonances in phase-space, in agreement with the simulation results. Finally, the probability density function of the exit time has been computed and the transport of alpha particles has been found to be anomalous.

anomalous transport↗
DOE OSTI2023

Rapid Simulation of Unconventional Reservoirs by Multidomain Multiresolution Modeling Based on the Diffusive Time of Flight

Summary The fast marching method (FMM)-based rapid flow simulation has been shown to accelerate simulation efficiency by orders of magnitude by transforming 3D simulation to equivalent 1D simulation using the concept of the “diffusive time of flight” (DTOF). However, the 1D transformation does not directly apply to multiwell problems. In this paper, we propose a novel DTOF-based multidomain multiresolution discretization scheme to accelerate multiwell simulation of unconventional reservoirs. Our method formulates multiwell simulation problems based on the DTOF which displays the pressure front propagation in unconventional reservoirs. The DTOF contours are used to partition the reservoir into local and shared domains. A local domain is where the flow is dominated by a single well, and the shared domain is where the fluid flow is influenced by multiple wells. The DTOF contours expand independently in local domains and interfere in the shared domain. After the partitioning, each domain is discretized using a multiresolution scheme whereby the original 3D fine mesh is preserved near the wells to account for detailed physics including gravity, and the rest of the domain is discretized into 1D mesh based on the DTOF contours to alleviate the simulation workload. The power and efficacy of our approach are demonstrated using synthetic and field-scale simulation models with different degrees of geologic and well-completion complexity. The simulation results, number of active cells, and computation time for the proposed discretization scheme are compared with the original high-fidelity 3D model for each case. The results show that the proposed method is suitable for multiwell simulation problems in unconventional reservoirs and can accelerate flow simulations by orders of magnitude with minimal loss of accuracy. The novelty of this work is the creation of DTOF-derived multiresolution discretization with local and shared domains to simplify and accelerate the calculation of subsurface flow problems, especially in unconventional reservoirs. Our workflow can be easily interfaced with commercial simulators, making it suitable for large-scale field applications.

Engineering↗
DOE OSTI2011

Accelerating transient simulation of linear reduced order models.

Model order reduction (MOR) techniques have been used to facilitate the analysis of dynamical systems for many years. Although existing model reduction techniques are capable of providing huge speedups in the frequency domain analysis (i.e. AC response) of linear systems, such speedups are often not obtained when performing transient analysis on the systems, particularly when coupled with other circuit components. Reduced system size, which is the ostensible goal of MOR methods, is often insufficient to improve transient simulation speed on realistic circuit problems. It can be shown that making the correct reduced order model (ROM) implementation choices is crucial to the practical application of MOR methods. In this report we investigate methods for accelerating the simulation of circuits containing ROM blocks using the circuit simulator Xyce.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2012

Multiscale Mathematics for Plasma Kinetics Spanning Multiple Collisionality Regimes (Final Technical Report)

This is the Final Technical Report on this grant. The subject of this grant is accelerated simulation for plasma kinetics, in particular for Coulomb collisions in a plasma. The goal of this project is the development of accelerated simulation methods for plasma kinetics and the application of these methods to prob lems of interest for plasma fusion. Specifically, this project is developing methods for simulation of Coulomb collisions between charged particles. Collisional effects can be significant in the edge plasma of a fusion device, but correct simulation of the collisional effects is a computational bottleneck for current simulation methods. We developed two approaches to acceleration of simulation for Coulomb collisions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2012

Design of Accelerator Online Simulator Server Using Structured Data

Model based control plays an important role for a modern accelerator during beam commissioning, beam study, and even daily operation. With a realistic model, beam behaviour can be predicted and therefore effectively controlled. The approach used by most current high level application environments is to use a built-in simulation engine and feed a realistic model into that simulation engine. Instead of this traditional monolithic structure, a new approach using a client-server architecture is under development. An on-line simulator server is accessed via network accessible structured data. With this approach, a user can easily access multiple simulation codes. This paper describes the design, implementation, and current status of PVData, which defines the structured data, and PVAccess, which provides network access to the structured data.

43 PARTICLE ACCELERATORS↗
DOE OSTI2015

Muon Accelerator Program Simulation Fellow

Muons are fundamental particles like electrons but much more massive. Muon accelerators can provide physics opportunities similar to those of electron accelerators, but because of the larger mass muons lose less energy to radiation, allowing more compact facilities with lower operating costs. The way muon beams are produced makes them too large to fit into the vacuum chamber of a cost-effective accelerator, and the short muon lifetime means that the beams must be reduced in size rather quickly, without losing too many of the muons. This reduction in size is called "cooling." Ionization cooling is a new technique that can accomplish such cooling. Intense muon beams can then be accelerated and injected into a storage ring, where they can be used to produce neutrino beams through their decays or collided with muons of the opposite charge to produce a muon collider, similar to an electron-positron collider. We report on the research carried out at the University of California, Riverside, towards producing such muon accelerators, as part of the Muon Accelerator Program based at Fermilab. Since this research was carried out in a university environment, we were able to involve both undergraduate and graduate students.

43 PARTICLE ACCELERATORS↗
NASA NTRS1973

A linear accelerator for simulated micrometeors.

Review of the theory, design parameters, and construction details of a linear accelerator designed to impart meteoric velocities to charged microparticles in the 1- to 10-micron diameter range. The described linac is of the Sloan Lawrence type and, in a significant departure from conventional accelerator practice, is adapted to single particle operation by employing a square wave driving voltage with the frequency automatically adjusted from 12.5 to 125 kHz according to the variable velocity of each injected particle. Any output velocity up to about 30 km/sec can easily be selected, with a repetition rate of approximately two particles per minute.

Slattery, J. C.↗
DOE OSTI2020

Model uncertainty in accelerator application simulations

Monte-Carlo nuclear reaction and transport codes are widely used to devise accelerator-based nuclear physics experiments; at the same time, many experiments are performed to validate the Monte-Carlo codes, which can be used for the design of full-scale nuclear power applications or the design of new benchmark experiments. Dedicated model benchmark studies investigate a broad range of nuclear reactions and quantities. Examples of these include isotope formation or secondary particle fluxes that result from the interactions of GeV-range hadrons with monoisotopic targets, which can be used to assess the respective systematic uncertainty of models. Such benchmark studies, as well as many nuclear application experiments and simulations carried out by various groups over the last few decades, enable us to draw methodological lessons. In this work, model uncertainty determined based on available experimental data allow us to identify the effects of practitioner expertise as well as the design of codes (user access to micro-scale parameters) on the range of uncertainties. We found that in cases when simulations are performed by code developers or users that are very experienced in performing simulations, the model to experiment quantity ratios generally agree with the limits determined by dedicated benchmark studies. In other cases, the ratios generally tend to be either smaller (underestimation of model error) or larger (overestimation of model error). A plausible explanation of the aforementioned effects is suggested.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Self-optimized construction of transition rate matrices from accelerated atomistic simulations with Bayesian uncertainty quantification

Here, a massively parallel method to build large transition rate matrices from temperature-accelerated molecular dynamics trajectories is presented. Bayesian Markov model analysis is used to estimate the expected residence time in the known state space, providing crucial uncertainty quantification for higher-scale simulation schemes such as kinetic Monte Carlo or cluster dynamics. The estimators are additionally used to optimize where exploration is performed and the degree of temperature acceleration on the fly, giving an autonomous, optimal procedure to explore the state space of complex systems. The method is tested against exactly solvable models and used to explore the dynamics of C15 interstitial defects in iron. Our uncertainty quantification scheme allows for accurate modeling of the evolution of these defects over timescales of several seconds.

36 MATERIALS SCIENCE↗