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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
NASA NTRS2006

3-D RPIC Simulations of Relativistic Jets: Particle Acceleration, Magnetic Field Generation, and Emission

Recent PIC simulations using injected relativistic electron-ion (electro-positron) jets into ambient plasmas show that acceleration occurs in relativistic shocks. The Weibel instability created in shocks is responsible for particle acceleration, and generation and amplification of highly inhomogeneous, small-scale magnetic fields. These magnetic fields contribute to the electron's transverse deflection in relativistic jets. The "jitter" radiation from deflected electrons has different properties than the synchrotron radiation which is calculated in a uniform magnetic field. This jitter radiation may be important to understand the complex time evolution and spectral structure in relativistic jets and gamma-ray bursts. We will present recent PIC simulations which show particle acceleration and magnetic field generation. We will also calculate associated self-consistent emission from relativistic shocks.

Nishikawa, K.-I.↗
DOE OSTI2012

On the late-time growth of the two-dimensional Richtmyer–Meshkov instability in shock tube experiments [On the late-time growth of the 2D Richtmyer–Meshkov instability in shock tube experiments]

In the present study, shock tube experiments are used to study the very late-time development of the Richtmyer–Meshkov instability from a diffuse, nearly sinusoidal, initial perturbation into a fully turbulent flow. The interface is generated by two opposing gas flows and a perturbation is formed on the interface by transversely oscillating the shock tube to create a standing wave. The puncturing of a diaphragm generates a Mach $1. 2$ shock wave that then impacts a density gradient composed of air and SF 6 , causing the Richtmyer–Meshkov instability to develop in the 2.0 m long test section. The instability is visualized with planar Mie scattering in which smoke particles in the air are illuminated by a Nd:YLF laser sheet, and images are recorded using four high-speed video cameras operating at 6 kHz that allow the recording of the time history of the instability. In addition, particle image velocimetry (PIV) is implemented using a double-pulsed Nd:YAG laser with images recorded using a single CCD camera. Initial modal content, amplitude, and growth rates are reported from the Mie scattering experiments while vorticity and circulation measurements are made using PIV. Amplitude measurements show good early-time agreement but relatively poor late-time agreement with existing nonlinear models. The model of Goncharov agrees with growth rate measurements at intermediate times but fails at late experimental times. Measured background acceleration present in the experiment suggests that the late-time growth rate may be influenced by Rayleigh–Taylor instability induced by the interfacial acceleration. Numerical simulations conducted using the LLNL codes Ares and Miranda show that this acceleration may be caused by the growth of boundary layers, and must be accounted for to produce good agreement with models and simulations. Adding acceleration to the Richtmyer–Meshkov buoyancy–drag model produces improved agreement. It is found that the growth rate and amplitude trends are also modelled well by the Likhachev–Jacobs vortex model. Here, circulation measurements also show good agreement with the circulation value extracted by fitting the vortex model to the experimental data.

42 ENGINEERING↗
DOE OSTI2018

Photodegradation accelerates ecosystem N cycling in a simulated California grassland

Abstract Photodegradation accelerates litter decay in arid grasslands where plant growth and litter decay are strongly controlled by precipitation and evapotranspiration. However, the effects of photodegradation on ecosystem C and N dynamics are not well understood. We examined the effects using an ecosystem biogeochemical model DayCent‐ UV with photodegradation explicitly represented and validated. The model was parameterized for a California grassland where photodegradation was documented to release CO 2 from litter. The model was parameterized with an inverse modeling approach using an extensive data set of six years of daily observed carbon and water gas exchange (gross primary production, ecosystem respiration, and evapotranspiration), soil temperature, and soil moisture. DayCent‐ UV correctly simulated the seasonal patterns of the observed gas exchange and closely simulated the inter‐annual variation in the gas exchange and biomass production rates. The simulations suggested that the inter‐annual variation is driven more by actual evapotranspiration than by precipitation because a large portion of precipitation is lost as runoff during wet years. Photodegradation in DayCent‐ UV accelerated C and N cycling, decreasing system C and N by 9.2% and 9.5% and C and N residence times by 9.4% and 18.2%. Accelerated N cycling made a greater fraction of system N available for plants, increasing net N mineralization and plant production for a given amount of system N. Increased net N mineralization was due to decreased immobilization by microbes in the aboveground organic matter. Photodegradation did not alter the control on plant production by evapotranspiration. These results suggest that at the ecosystem level, the central effect of photodegradation is to suppress microbial activity. We conclude that photodegradation accelerates N cycling at the expense of microbes in this grassland, making it more efficient in supporting plant growth for a given amount of N in the system.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2012

Test particle simulation of direct laser acceleration in a density-modulated plasma waveguide

Direct laser acceleration (DLA) of electrons by the use of the intense axial electric field of an ultrafast radially polarized laser pulse is a promising technique for future compact accelerators. Density-modulated plasma waveguides can be implemented for guiding the propagation of the laser pulse to extend the acceleration distance and for the quasi-phase-matching between the accelerated electrons and the laser pulse. A test particle model is developed to study the optimal axial density modulation structure of plasma waveguides for laser pulses to efficiently accelerate co-propagating electrons. A simple analytical approach is also presented, which can be used to estimate the energy gain in DLA. The analytical model is validated by the test particle simulation. The effect of injection phase and acceleration of electrons injected at various radial positions are studied. The results indicate that a positively chirped density modulation of the waveguide structure is required to accelerate electron with low initial energies, and can be effectively optimized. A wider tolerance on the injection phase and radial distance from the waveguide axis exists for electrons injected with a higher initial energy.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Machine learning-accelerated path integral molecular dynamics simulations of reactive organic electrolytes

Hydrogen bonded electrolytes that exhibit accelerated proton transport via sequential reactive hops have drawn interest for their promise in clean energy applications. Molecular dynamics simulations of these electrolytes offer the opportunity to uncover microscopic mechanistic details that could be used to design and tune the properties of candidate electrolyte technologies. However, accurately modeling the proton transfer reactions and transport properties that give rise to high charge conductivites in these electrolytes proves computationally challenging because of the need to perform lengthy condensed phase simulations, treating both the electronic and nuclear degrees of freedom quantum mechanically. In this paper, we demonstrate that such a modeling task can be efficiently achieved with the use of density functional theory (DFT)-trained machine learning potentials (MLP) to accelerate path integral molecular dynamics (PIMD) simulations. We highlight the practical utility of this approach by using it to benchmark how closely PIMD simulations employing different DFT exchange–correlation functionals reproduce the composition-dependent densities, diffusion coefficients, and electrical conductivities of mixtures consisting of imidazole and levulinic acid. Even with the speedup afforded by our MLPs, PIMD simulations remain quite expensive. Furthermore, in order to render PIMD more computationally tractable, we introduce and benchmark the accuracy of a ring polymer contraction approach that leverages a computationally efficient short-range MLP to accelerate our PIMD simulations by an additional factor of four.

Chemical bonding↗
DOE OSTI2025

Impact of dynamics, entanglement and Markovian noise on the fidelity of few-qubit digital quantum simulation

Quantum algorithms have been proposed to accelerate the simulation of the chaotic dynamical systems that are ubiquitous in the physics of plasmas. Quantum computers without error correction might even use noise to their advantage to calculate the Lyapunov exponent by measuring the Loschmidt echo fidelity decay rate. For the first time, digital Hamiltonian simulations of the quantum sawtooth map, performed on the IBM-Q quantum hardware platform, show that the fidelity decay rate of a digital quantum simulation increases during the transition from dynamical localization to chaotic diffusion in the map. The observed error per CNOT gate increases by $1.5{\times }$ as the dynamics varies from localized to diffusive, while only changing the phases of virtual RZ gates and keeping the overall gate count constant. A gate-based Lindblad noise model that captures the effective change in relaxation and dephasing errors during gate operation qualitatively explains the effect of dynamics on fidelity as being due to the localization and entanglement of the states created. Specifically, highly delocalized states that are entangled with random phases show an increased sensitivity to dephasing and, on average, a similar sensitivity to relaxation as localized states. In contrast, delocalized unentangled states show an increased sensitivity to dephasing but a lower sensitivity to relaxation. This gate-based Lindblad model is shown to be a useful benchmarking tool by estimating the effective Lindblad coherence times during CNOT gates and finding a consistent $2\unicode{x2013}3{\times }$ shorter $T_2$ time than reported for idle qubits. Thus, the interplay of the dynamics of a simulation with the noise processes that are active can strongly influence the overall fidelity decay rate.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Accelerated Fuel Qualification of Fast Modular Reactor Fuel in a Thermal Reactor: Modeling and Simulation Paired with Irradiation Testing

The accelerated fuel qualification (AFQ) methodology is applied by simulating accelerated fuel tests of the General Atomics Electromagnetic Systems’ fuel system for its 44-MW(electric) gas-cooled, fast-spectrum fast modular reactor (FMR). This fuel is comprised of UO 2 pellets in SiGA® cladding, a silicon carbide ceramic matrix composite. Fast reactors, like the FMR, offer many benefits, including high fuel utilization and flexibility, but may require a lengthy material design process if tests are performed using fast neutron irradiation alone. A thermal neutron irradiation can instead be used to rapidly test how well key components of the current material models extend to high burnup. Thermal neutrons produce a different radial power distribution within the pin than fast neutrons. However, the temperature and burnup values for the two neutron types are comparable, and the differences between the simulated fuel responses are relatively small, demonstrating the weak sensitivity of the physics-based fuel model calculations on the neutron type and the irradiation rate. Furthermore, the deformation of the SiGA cladding saturates after about 1 displacement per atom for both neutron spectra. In an accelerated fuel test, the irradiation time required to reach the target fuel burnup can be reduced by a factor of 3 by using a small rodlet with a 45% smaller pellet diameter while maintaining the same linear power. Therefore, the time for data collection up to high burnup can be significantly reduced while maintaining the same temperature profile, which largely determines the material response. Tests of fuel rodlets of standard and compact size will be carried out in the Idaho National Laboratory’s Advanced Test Reactor (ATR), including full size and compact rodlets with varying gap sizes. By applying physics-based mechanistic modeling and simulation in accordance with the AFQ methodology, this type of compact rodlet testing in a thermal test reactor captures the necessary phenomena to test fuel material models up to high burnup and to simulate the expected impact of fast neutron radiation on the fuel in FMR operations. Finally, this approach to testing fast reactor fuels in existing thermal test reactors, paired with advanced physics-based mechanistic modeling and simulation, is expected to be applicable to a range of advanced fuels and will decrease the overall fuel qualification timeframe from decades to years.

Advanced test reactor (ATR)↗
DOE OSTI2011

Dark Current Simulation for Linear Collider Accelerator Structures

The dynamics of field-emitted electrons in the traveling wave fields of a constant gradient (tapered) disk-loaded waveguide is followed numerically. Previous simulations have been limited to constant impedance (uniform) structures for sake of simplicity since only the fields in a unit cell is needed. Using a finite element field solver on a parallel computer, the fields in the tapered structure can now be readily generated. We will obtain the characteristics of the dark current emitted from both structure types and compare the two results with and without the effect of secondary electrons. The NLC and JLC detuned structures are considered to study if dark current may pose a problem for high gradient acceleration in the next generation of Linear Colliders.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

RE-INTEGRATE EMT Simulation Software: DAE Solvers and Automation

Existing electromagnetic transient (EMT) simulation tools face challenges in accelerating EMT simulations, especially for very large-scale power networks. To tackle this issue, next generation EMT simulation tools such as RE-INTEGRATE EMT are being researched upon. Such tools should be equipped with automation capabilities and advanced numerical differential-algebraic equation (DAE) solvers. In this paper, the DAE solvers incorporated within the RE-INTEGRATE EMT simulation tool are discussed. In particular, a modified ODEINT-based DAE solver and the ARKODE solver from SUN-DIALS are leveraged within RE-INTEGRATE EMT. In addition, the automation implemented within RE-INTEGRATE EMT to automate the DAE generation (replacing the need of manual discretization and assembling DAEs) is discussed. Different use cases were implemented using the RE-INTEGRATE EMT tool and were validated with respect to baseline simulations.

Marthi, Phani Ratna Vanamali [ORNL] (ORCID:0000000↗
DOE OSTI2011

Calculation of k{sub Q{sub c{sub l{sub i{sub n,Q{sub m{sub s{sub r}{sup f{sub c}{sub l}{sub i}{sub n},f{sub m}{sub s}{sub r}}}}}}}}} for several small detectors and for two linear accelerators using Monte Carlo simulations

Purpose: The scope of this study was to determine a complete set of correction factors for several detectors in static small photon fields for two linear accelerators (linacs) and for several detectors. Methods: Measurements for Monte Carlo (MC) commissioning were performed for two linacs, Siemens Primus and Elekta Synergy. After having determined the source parameters that best fit the measurements of field specific output factors, profiles, and tissue-phantom ratio, the generalized version of the classical beam quality correction factor for static small fields, k{sub Q{sub c{sub l{sub i{sub n,Q{sub m{sub s{sub r}{sup f{sub c}{sub l}{sub i}{sub n},f{sub m}{sub s}{sub r}}}}}}}}}, were determined for several types of detectors by using the egs{sub c}hamber Monte Carlo user code which can accurately reproduce the geometry and the material composition of the detector. The influence of many parameters (energy and radial FWHM of the electron beam source, field dimensions, type of accelerator) on the value of k{sub Q{sub c{sub l{sub i{sub n,Q{sub m{sub s{sub r}{sup f{sub c}{sub l}{sub i}{sub n},f{sub m}{sub s}{sub r}}}}}}}}} was evaluated. Moreover, a MC analysis of the parameters that influence the change of k{sub Q{sub c{sub l{sub i{sub n,Q{sub m{sub s{sub r}{sup f{sub c}{sub l}{sub i}{sub n},f{sub m}{sub s}{sub r}}}}}}}}} as a function of field dimension was performed. A detailed analysis of uncertainties related to the measurements of the field specific output factor and to the Monte Carlo calculation of k{sub Q{sub c{sub l{sub i{sub n,Q{sub m{sub s{sub r}{sup f{sub c}{sub l}{sub i}{sub n},f{sub m}{sub s}{sub r}}}}}}}}} was done. Results: The simulations demonstrated that the correction factor k{sub Q{sub c{sub l{sub i{sub n,Q{sub m{sub s{sub r}{sup f{sub c}{sub l}{sub i}{sub n},f{sub m}{sub s}{sub r}}}}}}}}} can be considered independent from the quality beam factor Q in the range 0.68 {+-} 0.01 for all the detectors analyzed. The k{sub Q{sub c{sub l{sub i{sub n,Q{sub m{sub s{sub r}{sup f{sub c}{sub l}{sub i}{sub n},f{sub m}{sub s}{sub r}}}}}}}}} of PTW 60012 and EDGE diodes can be assumed dependent only on the field size, for fields down to 0.5 x 0.5 cm{sup 2}. The microLion, and the microchambers, instead, must be used with some caution because they exhibit a slight dependence on the radial FWHM of the electron source, and therefore, a correction factor only dependent on field size can be used for fields {>=}0.75 x 0.75 and {>=}1.0 x 1.0 cm{sup 2}, respectively. The analysis of uncertainties gave an estimate of uncertainty for the 0.5 x 0.5 cm{sup 2} field of about 0.7% (1{sigma}) for k{sub Q{sub c{sub l{sub i{sub n,Q{sub m{sub s{sub r}{sup f{sub c}{sub l}{sub i}{sub n},f{sub m}{sub s}{sub r}}}}}}}}} factor and of about 1.0% (1{sigma}) for the field output factor, {Omega}{sub Q{sub c{sub l{sub i{sub n,Q{sub m{sub s{sub r}{sup f{sub c}{sub l}{sub i}{sub n},f{sub m}{sub s}{sub r}}}}}}}}}, of diodes, microchambers, and microLion. Conclusions: Stereotactic diodes with the appropriate k{sub Q{sub c{sub l{sub i{sub n,Q{sub m{sub s{sub r}{sup f{sub c}{sub l}{sub i}{sub n},f{sub m}{sub s}{sub r}}}}}}}}} are recommended for determining {Omega}{sub Q{sub c{sub l{sub i{sub n,Q{sub m{sub s{sub r}{sup f{sub c}{sub l}{sub i}{sub n},f{sub m}{sub s}{sub r}}}}}}}}} of small photon beams.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Graphics processing unit accelerated three-dimensional model for the simulation of pulsed low-temperature plasmas

A 3-dimensional particle-in-cell/Monte Carlo collision simulation that is fully implemented on a graphics processing unit (GPU) is described and used to determine low-temperature plasma characteristics at high reduced electric field, E/n, in nitrogen gas. Details of implementation on the GPU using the NVIDIA Compute Unified Device Architecture framework are discussed with respect to efficient code execution. The software is capable of tracking around 10 × 10{sup 6} particles with dynamic weighting and a total mesh size larger than 10{sup 8} cells. Verification of the simulation is performed by comparing the electron energy distribution function and plasma transport parameters to known Boltzmann Equation (BE) solvers. Under the assumption of a uniform electric field and neglecting the build-up of positive ion space charge, the simulation agrees well with the BE solvers. The model is utilized to calculate plasma characteristics of a pulsed, parallel plate discharge. A photoionization model provides the simulation with additional electrons after the initial seeded electron density has drifted towards the anode. Comparison of the performance benefits between the GPU-implementation versus a CPU-implementation is considered, and a speed-up factor of 13 for a 3D relaxation Poisson solver is obtained. Furthermore, a factor 60 speed-up is realized for parallelization of the electron processes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Fully Implict Magneto-hydrodynamics Simulations of Coaxial Plasma Accelerators

The resistive Magneto-Hydrodynamic (MHD) model describes the behavior of a strongly ionized plasma in the presence of external electric and magnetic fields. We developed a fully implicit MHD simulation tool to solve the resistive MHD governing equations in the context of a cell-centered finite-volume scheme. The primary objective of this study is to use the fully-implicit algorithm to obtain insights into the plasma acceleration and jet formation processes in Coaxial Plasma accelerators; electromagnetic acceleration devices that utilize self-induced magnetic fields to accelerate thermal plasmas to large velocities. We also carry out plasma-surface simulations in order to study the impact interactions when these high velocity plasma jets impinge on target material surfaces. Scaling studies are carried out to establish some basic functional relationships between the target-stagnation conditions and the current discharged between the coaxial electrodes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

MO-DE-BRA-02: SIMAC: A Simulation Tool for Teaching Linear Accelerator Physics

Purpose: The first goal of this work is to develop software that can simulate the physics of linear accelerators (linac). The second goal is to show that this simulation tool is effective in teaching linac physics to medical physicists and linac service engineers. Methods: Linacs were modeled using analytical expressions that can correctly describe the physical response of a linac to parameter changes in real time. These expressions were programmed with a graphical user interface in order to produce an environment similar to that of linac service mode. The software, “SIMAC”, has been used as a learning aid in a professional development course 3 times (2014 – 2016) as well as in a physics graduate program. Exercises were developed to supplement the didactic components of the courses consisting of activites designed to reinforce the concepts of beam loading; the effect of steering coil currents on beam symmetry; and the relationship between beam energy and flatness. Results: SIMAC was used to teach 35 professionals (medical physicists; regulators; service engineers; 1 week course) as well as 20 graduate students (1 month project). In the student evaluations, 85% of the students rated the effectiveness of SIMAC as very good or outstanding, and 70% rated the software as the most effective part of the courses. Exercise results were collected showing that 100% of the students were able to use the software correctly. In exercises involving gross changes to linac operating points (i.e. energy changes) the majority of students were able to correctly perform these beam adjustments. Conclusion: Software simulation(SIMAC), can be used to effectively teach linac physics. In short courses, students were able to correctly make gross parameter adjustments that typically require much longer training times using conventional training methods.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Particle-in-cell simulation of laser wakefield accelerators with oblique lasers in quasicylindrical geometry

In the studies of optical injections in laser or beam-driven wakefield accelerators, there is a frequent demand for using obliquely propagating assistant lasers in particle-in-cell simulations. In conventional methods, this is only possible in either two- or three-dimensional Cartesian geometries, which have the drawbacks of either lack of fidelity for the actual situation or requiring a huge amount of computational resources. In this work, we develop a new method that uses an expression-defined oblique laser field to simulate such situations in quasicylindrical geometry particle-in-cell simulations, having the advantages of both maintaining good fidelity and saving computational resources. As an example, we use this method in the scissor-cross ionization injection scheme for the optimization of the injected beam quality. This method is widely applicable to particle injections with assistant lasers in wakefield accelerators, as long as the assistant lasers only influence the injected particles during the injection process. Published by the American Physical Society 2025

Ma, Minghao (ORCID:0009000602317775)↗
DOE OSTI2014

High energy gain in three-dimensional simulations of light sail acceleration

The dynamics of radiation pressure acceleration in the relativistic light sail regime are analysed by means of large scale, three-dimensional (3D) particle-in-cell simulations. Differently to other mechanisms, the 3D dynamics leads to faster and higher energy gain than in 1D or 2D geometry. This effect is caused by the local decrease of the target density due to transverse expansion leading to a “lighter sail.” However, the rarefaction of the target leads to an earlier transition to transparency limiting the energy gain. A transverse instability leads to a structured and inhomogeneous ion distribution.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗