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At least 1,117 records · Page 62

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DOE OSTI2012

Accelerating the Computation of Detailed Chemical Reaction Kinetics for Simulating Combustion of Complex Fuels

Combustion of hydrocarbon fuels has been a very challenging scientific and engineering problem due to the complexity of turbulent flows and hydrocarbon reaction kinetics. There is an urgent need to develop an efficient modeling capability to accurately predict the combustion of complex fuels. Detailed chemical kinetic models for the surrogates of fuels such as gasoline, diesel and JP-8 consist of thousands of chemical species and Arrhenius reaction steps. Oxygenated fuels such as bio-fuels and heavier hydrocarbons, such as from newer fossil fuel sources, are expected to have a much more complex chemistry requiring increasingly larger chemical kinetic models. Such models are beyond current computational capability, except for homogeneous or partially stirred reactor type calculations. The advent of highly parallel multi-core processors and graphical processing units (GPUs) promises a steep increase in computational performance in the coming years. This paper will present a software framework that translates the detailed chemical kinetic models to high-performance code targeted for GPU accelerators.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Enhanced electron acceleration by high-intensity lasers in extended (confined) preplasma in cone targets

Here we report on experimental results from a high-intensity laser interaction with cone targets that increase the number (×3) and temperature (×3) of the measured hot electrons over a traditional planar target. This increase is caused by a substantial increase in the plasma density within the cone target geometry, which was induced by 17 ± 9 mJ prepulse that arrived 1.5 ns prior to the main high intensity (>10 19 W/cm 2 ). Three-dimensional hydrodynamic simulations are conducted using hydra which show that the cone targets create substantially longer and denser plasma than planar targets due to the geometric confinement of the expanding plasma. The density within the cone is a several hundred-micron plasma “shelf” with a density of approximately 10 20 n e /cc. The HYDRA simulated plasma densities are used as the initial conditions for two-dimensional particle-in-cell simulations using EPOCH. These simulations show that the main acceleration mechanism is direct-laser-acceleration, with close agreement between experimentally measured and simulated electron temperatures. Further analysis is conducted to investigate the acceleration of the electrons within the long plasma generated within a compound parabolic concentrator by the prepulse.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1994

Cosmic bullets as particle accelerators and radio sources

We have simulated in two dimensions the dynamical evolution of dense gas clouds(`cosmic bullets') moving supersonically through a uniform low-density medium. The diffusive shock acceleration of relativistic protons (cosmic rays) and their dynamical feedback on the background flow are included by the two-fluid model for this process. The acceleration of relativistic electrons is approximated by a test-particle model, and a passive magnetic field is followed by a simple advection scheme. Strong bow shocks, with Mach numbers similar to that of a bullet's motion, are the most important particle accelerators in the flow, while tail shocks and shocks inside the bullets do not play generally significant roles in this regard. For our simulation parameters, approximately greater than 10% of the initial bullet kinetic energy is converted to a combination of internal energy of gas and cosmic-ray protons by the time the bullets begin to be disrupted. Characteristically, the cosmic rays gain several percent of the available kinetic energy. Bullet destruction on timescales only a little larger than the ram pressure bullet crushing time begins in response to Kelvin-Helmholtz and especially to Rayleigh-Taylor instabilities along the forward bullet surface. For dense bullets this happens before the bullet is stopped by ram pressure. According to our simple model for synchrotron emission from relativistic electrons accelerated and transported within the flows, that emission increases rapidly as the bullet begins to fragment, when it is strongly dominated by field enhancement in sheared flows. Synchrotron emission from the acceleration region within the bow shock is, by contrast, much weaker.

Jones, T. W.↗

DOE OSTI2016

Highly periodic laser-induced nanostructures on thin Ti and Cu foils for potential application in laser ion acceleration

The feasibility of femtosecond laser-induced periodic nanostructures on thin Ti and Cu foils (thickness down to 1 μm) is demonstrated. At pulse durations of 120 fs and a wavelength of 400 nm, periods of 61 nm to 320 nm were obtained. Particle-in-cell simulations of laser ion acceleration processes with such nanostructured targets indicate their potential for high energy particle physics applications. In particular, a measurable enhancement of the proton cut-off energy and a significant enhancement of the number of accelerated particles compared to non- or weakly structured targets of same thickness and material are expected.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2014

TH-C-12A-08: New Compact 10 MV S-Band Linear Accelerator: 3D Finite-Element Design and Monte Carlo Dose Simulations

Purpose: To design a new compact S-band linac waveguide capable of producing a 10 MV x-ray beam, while maintaining the length (27.5 cm) of current 6 MV waveguides. This will allow higher x-ray energies to be used in our linac-MRI systems with the same footprint. Methods: Finite element software COMSOL Multiphysics was used to design an accelerator cavity matching one published in an experiment breakdown study, to ensure that our modeled cavities do not exceed the threshold electric fields published. This cavity was used as the basis for designing an accelerator waveguide, where each cavity of the full waveguide was tuned to resonate at 2.997 GHz by adjusting the cavity diameter. The RF field solution within the waveguide was calculated, and together with an electron-gun phase space generated using Opera3D/SCALA, were input into electron tracking software PARMELA to compute the electron phase space striking the x-ray target. This target phase space was then used in BEAM Monte Carlo simulations to generate percent depth doses curves for this new linac, which were then used to re-optimize the waveguide geometry. Results: The shunt impedance, Q-factor, and peak-to-mean electric field ratio were matched to those published for the breakdown study to within 0.1% error. After tuning the full waveguide, the peak surface fields are calculated to be 207 MV/m, 13% below the breakdown threshold, and a d-max depth of 2.42 cm, a D10/20 value of 1.59, compared to 2.45 cm and 1.59, respectively, for the simulated Varian 10 MV linac and brehmsstrahlung production efficiency 20% lower than a simulated Varian 10 MV linac. Conclusion: This work demonstrates the design of a functional 27.5 cm waveguide producing 10 MV photons with characteristics similar to a Varian 10 MV linac.

07 ISOTOPE AND RADIATION SOURCES↗

DOE OSTI2013

Recovery Act: Advanced Interaction, Computation, and Visualization Tools for Sustainable Building Design

Current building energy simulation technology requires excessive labor, time and expertise to create building energy models, excessive computational time for accurate simulations and difficulties with the interpretation of the results. These deficiencies can be ameliorated using modern graphical user interfaces and algorithms which take advantage of modern computer architectures and display capabilities. To prove this hypothesis, we developed an experimental test bed for building energy simulation. This novel test bed environment offers an easy-to-use interactive graphical interface, provides access to innovative simulation modules that run at accelerated computational speeds, and presents new graphics visualization methods to interpret simulation results. Our system offers the promise of dramatic ease of use in comparison with currently available building energy simulation tools. Its modular structure makes it suitable for early stage building design, as a research platform for the investigation of new simulation methods, and as a tool for teaching concepts of sustainable design. Improvements in the accuracy and execution speed of many of the simulation modules are based on the modification of advanced computer graphics rendering algorithms. Significant performance improvements are demonstrated in several computationally expensive energy simulation modules. The incorporation of these modern graphical techniques should advance the state of the art in the domain of whole building energy analysis and building performance simulation, particularly at the conceptual design stage when decisions have the greatest impact. More importantly, these better simulation tools will enable the transition from prescriptive to performative energy codes, resulting in better, more efficient designs for our future built environment.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2013

Sustain

Source record↗

NASA NTRS1992

Particle acceleration in cosmic plasmas; Proceedings of the Workshop, Bartol Research Inst., Newark, DE, Dec. 4-6, 1991

The present volume on particle acceleration in cosmic plasmas discusses transport theory, particle acceleration in the sun, heliosphere, and galaxy, particle acceleration at nonrelativistic shocks, and stochastic particle acceleration. Attention is given to particle acceleration in relativistic flows and shocks, simulations, composition and sources of high-energy cosmic rays, electron acceleration, and observation priorities and perspectives. Topics addressed include particle acceleration in the magnetosphere, particle transport from a turbulence perspective, numerical simulations of time-dependent cosmic ray mediated shocks, and solar flare plasma. Also discussed are relativistic shock waves and the excitation of plerions, ion acceleration at collisionless shock interactions, ultrahigh-energy cosmic rays from Fanaroff Riley, and constraints on electron acceleration in the Crab Nebula.

Zank, G. P.↗

DOE OSTI2023

Ultra-short pulse laser acceleration of protons to 80 MeV from cryogenic hydrogen jets tailored to near-critical density

Laser plasma-based particle accelerators attract great interest in fields where conventional accelerators reach limits based on size, cost or beam parameters. Despite the fact that particle in cell simulations have predicted several advantageous ion acceleration schemes, laser accelerators have not yet reached their full potential in producing simultaneous high-radiation doses at high particle energies. The most stringent limitation is the lack of a suitable high-repetition rate target that also provides a high degree of control of the plasma conditions required to access these advanced regimes. Here, we demonstrate that the interaction of petawatt-class laser pulses with a pre-formed micrometer-sized cryogenic hydrogen jet plasma overcomes these limitations enabling tailored density scans from the solid to the underdense regime. Our proof-of-concept experiment demonstrates that the near-critical plasma density profile produces proton energies of up to 80 MeV. Based on hydrodynamic and three-dimensional particle in cell simulations, transition between different acceleration schemes are shown, suggesting enhanced proton acceleration at the relativistic transparency front for the optimal case.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

Recent progress on the mesoscale modeling of architected thin-films via phase-field formulations of physical vapor deposition

Thin-film coatings can be found everywhere in modern technological applications due to desirable electrical, mechanical, chemical, and optical properties. These properties directly depend upon the thin-film’s microstructural features, which are themselves influenced by the materials and vapor-deposition processing conditions used for fabrication. As such, understanding processing-microstructure relationships is essential to designing thin-films with optimized properties, and discovering new processing conditions that allow for novel thin-films with multifunctional microstructures. Here, a short review is presented on recent developments that utilize the phase-field method to simultaneously model the vapor-deposition process and corresponding microstructure formation at the mesoscale. Also phase-field-based vapor-deposition models that simulate thin-film growth of immiscible alloy and polycrystalline systems are highlighted in addition to machine-learning-based surrogate models that can facilitate accelerated high-fidelity simulations along with materials design and exploration studies.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Supporting Simulation Families in Nuclear Reactor Workflows SBIR Phase I. Final Scientific/Technical Report

The US Department of Energy’s Nuclear Energy Advanced Modeling and Simulation (NEAMS) Toolkit has accelerated both the solutions to existing problems and deployment of new designs for current and advanced reactors. Within the toolkit, there exist various families of simulation tools that target specific aspects of a multi-physics simulation for a nuclear reactor. Tools within a specific family vary in both complexity and fidelity as well as the types of resources they require. To complement the NEAMS effort, the Computational Model Builder (CMB) has been designed to provide a graphical user interface to design and execute nuclear reactor workflows. Previously, we had designed a workflow in CMB to design and prepare for execution a neutronics simulation using DIF3D, a diffusion and transport solver developed at Argonne National Laboratory. For this Phase I effort, we extended CMB’s reactor modeling tools to design and execute a workflow using Proteus-SN, a higher-fidelity transport solver developed at Argonne with more preparatory requirements from the workflow. Furthermore, this workflow was designed to maximize the common features of the two workflows, describing the analogous tasks between the workflows as belonging to a “simulation family”. This perspective facilitates the abstraction of the neutronics simulations to a single bifurcated workflow, allowing the engineer to design a reactor and then choose the appropriate simulation according to his or her needs for fidelity and computational cost.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

NASA NTRS1989

Chromospheric-coronal coupling during solar flares: Current systems and particle acceleration

Two-dimensional (three velocity) electrostatic particle simulations are used to investigate the particle heating and acceleration associated with the impulsive phase of a solar flare. A crossfield current in the high corona (which is presumably driven by reconnection processes) is used to initiate the flare. Due to the differential motion of the electrons and ions, currents, and associated quasi-static electric fields are generated with the primary current and balancing return current being on adjacent field lines. These currents extend from the corona down into the chromosphere. Electrons can be accelerated to energies exceeding 100 keV on short time scales via the quasi-static fields and wave-particle interactions. The spectra of these electrons has a broken power-law distribution which hardens in time. The spatially separate primary and return currents are closed by the cross-field acceleration of the ambient ions into the primary current regions. These ions are then accelerated upwards into the corona by the same quasi-static electric field accelerating the electrons downwards. This acceleration can account for the broadened stationary and weak blue shifted component seen in soft x ray line emissions and enhancements in heavy ion abundances seen in the solar wind in associations with solar flares.

Winglee, Robert M.↗

DOE OSTI2014

Non-thermal electron acceleration in low Mach number collisionless shocks. I. Particle energy spectra and acceleration mechanism

Electron acceleration to non-thermal energies in low Mach number (M{sub s} ≲ 5) shocks is revealed by radio and X-ray observations of galaxy clusters and solar flares, but the electron acceleration mechanism remains poorly understood. Diffusive shock acceleration, also known as first-order Fermi acceleration, cannot be directly invoked to explain the acceleration of electrons. Rather, an additional mechanism is required to pre-accelerate the electrons from thermal to supra-thermal energies, so they can then participate in the Fermi process. In this work, we use two- and three-dimensional particle-in-cell plasma simulations to study electron acceleration in low Mach number shocks. We focus on the particle energy spectra and the acceleration mechanism in a reference run with M{sub s} = 3 and a quasi-perpendicular pre-shock magnetic field. We find that about 15% of the electrons can be efficiently accelerated, forming a non-thermal power-law tail in the energy spectrum with a slope of p ≅ 2.4. Initially, thermal electrons are energized at the shock front via shock drift acceleration (SDA). The accelerated electrons are then reflected back upstream where their interaction with the incoming flow generates magnetic waves. In turn, the waves scatter the electrons propagating upstream back toward the shock for further energization via SDA. In summary, the self-generated waves allow for repeated cycles of SDA, similarly to a sustained Fermi-like process. This mechanism offers a natural solution to the conflict between the bright radio synchrotron emission observed from the outskirts of galaxy clusters and the low electron acceleration efficiency usually expected in low Mach number shocks.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Extreme Longitudinal Compression of Optimized Beams for MEV Ultrafast Electron Diffraction (Final Technical Report)

We worked out the design of a high repetition rate MeV energy ultrafast electron diffraction instrument based on the existing Cornell photoinjector, which can readily be applied to the presented findings. This example is a blueprint of other similarly arranged UED setups. Using particle tracking simulations in conjunction with multiobjective genetic algorithm optimization, we explored the smallest bunch lengths, emittance, and probe spot sizes achievable. As two limits, we defined stroboscopic conditions (with single electrons per pulse) and operation with 10 5 electrons per bunch which may be suitable for single-shot diffraction images. In the stroboscopic case, the flexibility provided by the many cavity bunching and acceleration allows for longitudinal phase space linearization without a higher harmonic field, providing sub-fs bunch lengths at the sample. Given low emittance photoemission conditions, these small bunch lengths can be maintained with probe transverse sizes at the single micron (1 μm) scale and below. In the case of 10 5 electrons per pulse, we simulated state-of-the-art 5D brightness conditions: rms bunch lengths of 10 fs with 3-nm normalized emittances, while permitting repetition rates as high as 1.3 GHz. We showed that in conjunction with collimating apertures, a novel focusing scheme achieves very high-quality emittance compensation for the central core of the beam composing 40% of particles, for a resulting beam size of 5 μm (rms). Finally, to aid in the design of new SRF-based ultrafast electron diffraction machines, we simulated the trade-off between the number of cavities used and achievable bunch length and emittance. In the longitudinal dimension, we made use of the fact that MeV UED requires much lower energy than the 15-MeV maxi mum energy of Cornell’s CBETA injector, and we may therefore use several of the SRF cavities for bunch length compression. In practice, we used a genetic optimization algorithm to choose the phases and amplitudes of the cavities appropriately for optimal bunching. In the zero space charge case, we found that bunching and acceleration are distributed across the six cavities in a way that produces a linearizing effect. And we showed that the ultimate bunch length can be limited by time-of-flight differences arising from transverse size and transverse momentum spread. The space charge code developed and used for this development is now permanent part of the Bmad accelerator simulation code and has already contributed to other developments, e.g., for the EIC electron cooler design.

43 PARTICLE ACCELERATORS↗

DOE OSTI2019

Simulation of Conduction Cooled SRF Cavity

SRF cavities are used heavily in high energy physics research, but the operational complexities of SRF cavities prevent their widespread use in industry. One notable complexity of operating an SRF cavity is liquid helium coolant, and replacing liquid helium with cryocooler conduction cooling is an important research and development interest. As part of this effort, a system consisting of a 650 MHz single cell cavity, a commercial grade pulse tube refrigerator, and a thermal conduction link was simulated through finite element analysis. The electromagnetic fields inside the cavity, heat flow through the system, and temperature distribution of the thermal link and cavity were calculated. Based on the simulation, we found that a 2 W @ 4.2 K pulse tube refrigerator is capable of cooling a single cell Nb 3 Sn coated cavity operating at up to 12 MV/m accelerating gradient. The maximum simulated temperature of the cavity was below 7 K, and the thermal conduction link was shown to significantly attenuate the cryocooler thermal oscillations at the location of the cavity

43 PARTICLE ACCELERATORS↗

NASA NTRS1996

Gravitational acceleration as a cue for absolute size and distance?

When an object's motion is influenced by gravity, as in the rise and fall of a thrown ball, the vertical component of acceleration is roughly constant at 9.8 m/sec2. In principle, an observer could use this information to estimate the absolute size and distance of the object (Saxberg, 1987a; Watson, Banks, von Hofsten, & Royden, 1992). In five experiments, we examined people's ability to utilize the size and distance information provided by gravitational acceleration. Observers viewed computer simulations of an object rising and falling on a trajectory aligned with the gravitational vector. The simulated objects were balls of different diameters presented across a wide range of simulated distances. Observers were asked to identify the ball that was presented and to estimate its distance. The results showed that observers were much more sensitive to average velocity than to the gravitational acceleration pattern. Likewise, verticality of the motion and visibility of the trajectory's apex had negligible effects on the accuracy of size and distance judgments.

NASA Discipline Space Human Factors↗

NASA NTRS1960

Physiological Effects of Acceleration Observed During a Centrifuge Study of Pilot Performance

An investigation was conducted by the National Aeronautics and Space Administration, Ames Research Center, and the Naval Air Development Center, Aviation Medical Acceleration Laboratory, to study the effects of acceleration on pilot performance and to obtain some meaningful data for use in establishing tolerance to acceleration levels. The flight simulator used in the study was the Johnsville centrifuge operated as a closed loop system. The pilot was required to perform a control task in various sustained acceleration fields typical of those that Might be encountered by a pilot flying an entry vehicle in which he is seated in a forward-facing position. A special restraint system was developed and designed to increase the pilot's tolerance to these accelerations. The results of this study demonstrated that a well-trained subject, such as a test pilot, can adequately carry out a control task during moderately high accelerations for prolonged periods of time. The maximum levels of acceleration tolerated were approximately 6 times that of gravity for approximately 6 minutes, and varied slightly with the acceleration direction. The tolerance runs were in each case terminated by the subject. In all but two instances, the cause was extreme fatigue. On two occasions the subject terminated the run when he "grayed out." Although there were subjective and objective findings involving the visual and cardiovascular systems, the respiratory system yielded the more critical limiting factors. It would appear that these limiting factors were less severe during the "eyeballs-out" accelerations when compared with the "eyeballs-in" accelerations. These findings are explained on the basis of the influence that the inertial forces of acceleration have on the mechanics of respiration. A condensed version of this report was presented at the Annual Meeting of the Aerospace Medical Association, Miami Beach, May 5-11, 1960, in a paper entitled "Ability of Pilots to Perform a Control Task in Various Sustained Acceleration Fields."

Smedal, Harald A.↗

DOE OSTI2020

Generation of focusing ion beams by magnetized electron sheath acceleration

Abstract We present the first 3D fully kinetic simulations of laser driven sheath-based ion acceleration with a kilotesla-level applied magnetic field. The application of a strong magnetic field significantly and beneficially alters sheath based ion acceleration and creates two distinct stages in the acceleration process associated with the time-evolving magnetization of the hot electron sheath. The first stage delivers dramatically enhanced acceleration, and the second reverses the typical outward-directed topology of the sheath electric field into a focusing configuration. The net result is a focusing, magnetic field-directed ion source of multiple species with strongly enhanced energy and number. The predicted improvements in ion source characteristics are desirable for applications and suggest a route to experimentally confirm magnetization-related effects in the high energy density regime. We additionally perform a comparison between 2D and 3D simulation geometry, on which basis we predict the feasibility of observing magnetic field effects under experimentally relevant conditions.

42 ENGINEERING↗