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DOE OSTI2017

Accurate modeling of plasma acceleration with arbitrary order pseudo-spectral particle-in-cell methods

Particle in Cell (PIC) simulations are a widely used tool for the investigation of both laser- and beam-driven plasma acceleration. It is a known issue that the beam quality can be artificially degraded by numerical Cherenkov radiation (NCR) resulting primarily from an incorrectly modeled dispersion relation. Pseudo-spectral solvers featuring infinite order stencils can strongly reduce NCR - or even suppress it - and are therefore well suited to correctly model the beam properties. For efficient parallelization of the PIC algorithm, however, localized solvers are inevitable. Arbitrary order pseudo-spectral methods provide this needed locality. Yet, these methods can again be prone to NCR. Here in this paper, we show that acceptably low solver orders are sufficient to correctly model the physics of interest, while allowing for parallel computation by domain decomposition.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

Evaluation of the Effect of Burnup Acceleration on UO 2 Microstructure Evolution

Accelerated fuel qualification (AFQ) is a methodology by which new nuclear fuels are developed in an accelerated time frame compared with historical fuel qualification approaches. AFQ generally relies on high-fidelity physics-based modeling and simulation tools to adequately describe fuel performance as well as on revolutionary methods to accelerate burnup accumulation and collect relevant data more quickly. This report summarizes the use of advanced fuel modeling and simulation tools to evaluate microstructures from commercially irradiated fuel and microstructures from proposed MiniFuel irradiations, in which burnup accumulation is accelerated while prototypic temperature conditions are maintained. In this milestone, we used the mesoscale fuel performance code MARMOT to model the evolution of irradiated UO 2 microstructures and their potential restructuring at high burnup. The simulation conditions were informed by BISON models of both commercially irradiated fuel and MiniFuel. A first set of simulations investigated the recrystallization behavior of fully dense microstructures and showed full recrystallization at burnups as low as 52 MWd/kgU at 950°C. However, these simulations did not account for the presence of fission gas bubbles (predicted by BISON). Therefore, a second set of simulations including fission gas bubbles was performed and indicated that at the lowest temperature considered (650°C), the porous UO 2 microstructures have the highest total Gibbs free energies and are likely to recrystallize earlier than higher temperature cases (800 and 950°C), which agrees with high-burnup fuel characterization data. The results also showed that at lower temperature (650°C), the total free energies of the PWR fuel and MiniFuel microstructures are not significantly different. However, at the highest temperature (950°C), MiniFuel microstructures have a lower free energy than that of the PWR fuel microstructure. The competing effects between the temperature-dependent grain nucleation rate and the reduction of the free energy of the microstructure at higher temperature as a result of diffusion indicated that restructuring may occur at even higher temperatures than those considered in this study. In addition to the microstructure evolution modeling efforts, the burnup gradient across a single fuel specimen was also considered. This evaluation was for the VXF-15 position of the High Flux Isotope Reactor (HFIR) using the code suite HFIRCON, which was developed to automate the workflow for evaluating targets and fuel as they are irradiated in HFIR. The burnup gradient evaluation showed a dependence on both the axial and radial locations within the specimen, with a maximum difference of 1.7 between the inner and outermost radial layers. This relationship was further supported by considering the fission product speciation with respect to location within the specimen, which showed a higher concentration of 239 Pu, 240 Pu, and 241 Pu on the outer radial locations of the specimen than the center. The findings of the burnup and speciation evaluation show that some amount of self-shielding is occurring in the specimen when irradiated in the high-flux environment of HFIR; however, this impact is more pronounced for natural uranium when compared to 6% enrichment due to the higher ratio of 238 U in the specimen. Further analyses are required to understand the sensitivity of this gradient to spatial mesh and enrichment of the specimen.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2023

Multiscale Modeling of Radiation Damage in UO 2 under Accelerated Burnup Conditions

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2017

Electromagnetic Structure and Electron Acceleration in Shock–Shock Interaction

A shock–shock interaction is investigated by using a one-dimensional full particle-in-cell simulation. The simulation reproduces the collision of two symmetrical high Mach number quasi-perpendicular shocks. The basic structure of the shocks and ion dynamics is similar to that obtained by previous hybrid simulations. The new aspects obtained here are as follows. Electrons are already strongly accelerated before the two shocks collide through multiple reflection. The reflected electrons self-generate waves upstream between the two shocks before they collide. The waves far upstream are generated through the right-hand resonant instability with the anomalous Doppler effect. The waves generated near the shock are due to firehose instability and have much larger amplitudes than those due to the resonant instability. The high-energy electrons are efficiently scattered by the waves so that some of them gain large pitch angles. Those electrons can be easily reflected at the shock of the other side. The accelerated electrons form a power-law energy spectrum. Due to the accelerated electrons, the pressure of upstream electrons increases with time. This appears to cause the deceleration of the approaching shock speed. The accelerated electrons having sufficiently large Larmor radii are further accelerated through the similar mechanism working for ions when the two shocks are colliding.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2015

A Global Repository for Planet-Sized Experiments and Observations

Greenland’s ice loss doubled between 1996 and 2005. Nine of the ten warmest years on record have occurred since 2000. Carbon dioxide levels in the air are at their highest in 650,000 years. Are these phenomena related, and if so, what can they tell us about the Earth’s climate in the coming years and decades? The answer will require sophisticated computer models—and a way of dealing with the data they produce. Past climate patterns can be discerned by examining variables such as temperature and precipitation records, lake sediments, tree rings, and ice cores. Projecting future regional and global climate patterns, however, requires computer models that can simulate the complex interplay between physical, chemical, and biological processes occurring in the atmosphere, ocean, and on land and sea ice. These models are extremely computationally demanding. Over the past several decades, an ongoing revolution in high-capacity, high-performance computing has accelerated climate modeling. In 1998, a 1-year simulation of global climate using a 300- kilometer grid could be run in a day. In 2002, it took 4 or 5 hours. In 2015, this same model can be run on a high-end desktop in minutes.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2017

Single-particle dynamics in a nonlinear accelerator lattice: attaining a large tune spread with octupoles in IOTA

Fermilab is constructing the Integrable Optics Test Accelerator (IOTA) as the centerpiece of the Accelerator R&D Program towards high-intensity circular machines. One of the factors limiting the beam intensity in present circular accelerators is collective instabilities, which can be suppressed by a spread of betatron frequencies (tunes) through the Landau damping mechanism or by an external damper, if the instability is slow enough. The spread is usually created by octupole magnets, which introduce the tune dependence on the amplitude and, in some cases, by a chromatic spread (tune dependence on particle's momentum). The introduction of octupoles usually lead to a resonant behavior and a reduction of the dynamic aperture. One of the goals of the IOTA research program is to achieve a high betatron tune spread, while retaining a large dynamic aperture using conventional octupole magnets in a special but realistic accelerator configuration. In this report, we present results of computer simulations of an electron beam in the IOTA by particle tracking and the Frequency Map Analysis. The results show that the ring's octupole magnets can be configured to provide a betatron tune shift of 0.08 (for particles at large amplitudes) with the dynamical aperture of over 20 beam sigma for a 150-MeV electron beam. The influence of the synchrotron motion, lattice errors, and magnet imperfections is insignificant for the parameters and levels of tolerances set by the design of the ring. Here, the described octupole insert could be beneficial for suppression of space-charge induced instabilities in high intensity machines.

43 PARTICLE ACCELERATORS↗

DOE OSTI2015

Ion Acceleration by Laser Plasma Interaction from Cryogenic Micro Jets - Oral Presentation [Slides]

Processes that occur in extreme conditions, such as in the center of stars and large planets, can be simulated in the laboratory using facilities such as SLAC National Accelerator Laboratory and the Jupiter Laser Facility (JLF) at Lawrence Livermore National Laboratory (LLNL). These facilities allow scientists to investigate the properties of matter by observing their interactions with high power lasers. Ion acceleration from laser plasma interaction is gaining greater attention today due to its widespread potential applications, including proton beam cancer therapy and fast ignition for energy production. Typically, ion acceleration is achieved by focusing a high power laser on thin foil targets through a mechanism called Target Normal Sheath Acceleration. Based on research and recent experiments, we hypothesized that a pure liquid cryogenic jet would be an ideal target for this type of interaction, capable of producing the highest proton energies possible with today’s laser technologies. Furthermore, it would provide a continuous, pure target, unlike metal foils which are consumed in the interaction and easily contaminated. In an effort to test this hypothesis and investigate new, potentially more efficient mechanisms of ion acceleration, we used the 527 nm split beam, frequency-doubled TITAN laser at JLF. Data from the cryogenic jets was limited due to the flow of current up the jet into the nozzle during the interaction, heating the jet and damaging the orifice. However, we achieved a pure proton beam with an indication of a monoenergetic feature. Furthermore, data from gold and carbon wires showed surprising and interesting results. Preliminary analysis of data from two ion emission diagnostics, Thomson parabola spectrometers (TPs) and radio chromic films (RCFs), suggests that shockwave acceleration occurred rather than target normal sheath acceleration, the standard mechanism of ion acceleration. Upon completion of the experiment at TITAN, I researched the possibility of transforming our liquid cryogenic jets into droplet streams. This type of target should solve our problems with the jet as it will prevent the flow of exocurrent into the nozzle. It is also highly effective as it is even more mass-limited than standard cryogenic jets. Furthermore, jets break up spontaneously anyway. If we can control the breakup, we can synchronize the droplet emission with the laser pulses. In order to assist the team prepare for an experiment later this year, I familiarized myself with the physics and theory of droplet formation, calculated values for the required parameters, and ordered the required materials for modification of the jet. Future experiments will test these droplet streams and continue towards the goal of ion acceleration using cryogenic targets.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2018

Simulations of the Electron Column in IOTA

Future high current proton accelerators will need to minimize beam loss due to space-charge in order to achieve safe operation while achieving the desired physics goals. One method of space-charge compensation to be tested at the Integrable Optics Test Accelerator (IOTA) at Fermilab is the Electron Column. The concept for this device is to allow a circulating beam to ionize a small region of relatively high pressure residual gas, while using electric and magnetic fields to confine and shape the resulting plasma electrons. If the profile of the electrons is matched to the beam profile transversely and longitudinally, the electrons should counteract the space-charge force of the proton beam. Simulations of the IOTA proton beam circulating through the Electron Column have been performed, with the evolution of the electron plasma and its effect on the beam studied.

43 PARTICLE ACCELERATORS↗

DOE OSTI2015

Optics correction for the multi-pass FFAG ERL machine eRHIC

Gradient errors in the multi-pass Fixed Field Alternating Gradient (FFAG) Energy Recovery Linac (ERL) machine, eRHIC, distort the beam orbit and therefore cause emittance increase. The localization and correction of gradient errors are essential for an effective orbit correction and emittance preservation. In this report, the methodology and simulation of optics correction for the multi-pass FFAG ERL machine eRHIC will be presented.

43 PARTICLE ACCELERATORS↗

DOE OSTI2015

Electron acceleration in three-dimensional magnetic reconnection with a guide field

Kinetic simulations of 3D collisionless magnetic reconnection with a guide field show a dramatic enhancement of energetic electron production when compared with 2D systems. In the 2D systems, electrons are trapped in magnetic islands that limit their energy gain, whereas in the 3D systems the filamentation of the current layer leads to a stochastic magnetic field that enables the electrons to access volume-filling acceleration regions. The dominant accelerator of the most energetic electrons is a Fermi-like mechanism associated with reflection of charged particles from contracting field lines.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Comment on “Nonideal Fields Solve the Injection Problem in Relativistic Reconnection”

Sironi (hereafter S22) reported the correlation between high-energy particles and their crossings of regions with electric field larger than magnetic field (E > B regions) in kinetic simulations of relativistic magnetic reconnection. They claim that E > B regions (for vanishing guide fields) accelerate particles to the injection energy γ inj ~ σ (magnetization). S22 shows that if test particles are reset to low energies in E > B regions, injection is suppressed. Here, we reexamine these claims using a simulation resembling the reference case in S22 with no guide field. We show that E > B regions contribute very little to injection (~ 10% γ inj ) as they only host particles for a short duration. The energization before any E > B crossings has a comparable contribution, indicating E > B regions are not unique for pre-acceleration. A new test-particle simulation that zeroes out E during E > B does not strongly influence injection. We suggest that the procedure to exclude E > B acceleration in S22 partly removes acceleration outside E > B, leading to a false conclusion.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2013

THE ROLE OF CROSS-SHOCK POTENTIAL ON PICKUP ION SHOCK ACCELERATION IN THE FRAMEWORK OF FOCUSED TRANSPORT THEORY

The focused transport theory is appropriate to describe the injection and acceleration of low-energy particles at shocks as an extension of diffusive shock acceleration (DSA). In this investigation, we aim to characterize the role of cross-shock potential (CSP) originated in the charge separation across the shock ramp on pickup ion (PUI) acceleration at various types of shocks with a focused transport model. The simulation results of energy spectrum and spatial density distribution for the cases with and without CSP added in the model are compared. With sufficient acceleration time, the focused transport acceleration finally falls into the DSA regime with the power-law spectral index equal to the solution of the DSA theory. The CSP can affect the shape of the spectrum segment at lower energies, but it does not change the spectral index of the final power-law spectrum at high energies. It is found that the CSP controls the injection efficiency which is the fraction of PUIs reaching the DSA regime. A stronger CSP jump results in a dramatically improved injection efficiency. Our simulation results also show that the injection efficiency of PUIs is mass-dependent, which is lower for species with a higher mass. In addition, the CSP is able to enhance the particle reflection upstream to produce a stronger intensity spike at the shock front. We conclude that the CSP is a non-negligible factor that affects the dynamics of PUIs at shocks.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

A differentiable simulation package for performing inference of synchrotron-radiation-based diagnostics

The direction of particle accelerator development is ever-increasing beam quality, currents and repetition rates. This poses a challenge to traditional diagnostics that directly intercept the beam due to the mutual destruction of both the beam and the diagnostic. An alternative approach is to infer beam parameters non-invasively from the synchrotron radiation emitted in bending magnets. However, inferring the beam distribution from a measured radiation pattern is a complex and computationally expensive task. To address this challenge we present SYRIPY ( SYnchrotron Radiation In PYthon ), a software package intended as a tool for performing inference of synchrotron-radiation-based diagnostics. SYRIPY has been developed using PyTorch , which makes it both differentiable and able to leverage the high performance of GPUs, two vital characteristics for performing statistical inference. The package consists of three modules: a particle tracker, Lienard–Wiechert solver and Fourier optics propagator, allowing start-to-end simulation of synchrotron radiation detection to be carried out. SYRIPY has been benchmarked against SRW , the prevalent numerical package in the field, showing good agreement and up to a 50× speed improvement. Finally, we have demonstrated how SYRIPY can be used to perform Bayesian inference of beam parameters using stochastic variational inference.

43 PARTICLE ACCELERATORS↗

DOE OSTI2014

The phase-lock dynamics of the laser wakefield acceleration with an intensity-decaying laser pulse

An electron beam with the maximum energy extending up to 1.8 GeV, much higher than the dephasing limit, is experimentally obtained in the laser wakefield acceleration with the plasma density of 3.5 × 10{sup 18} cm{sup −3}. With particle in cell simulations and theoretical analysis, we find that the laser intensity evolution plays a major role in the enhancement of the electron energy gain. While the bubble length decreases due to the intensity-decay of the laser pulse, the phase of the electron beam in the wakefield can be locked, which contributes to the overcoming of the dephasing. Moreover, the laser intensity evolution is described for the phase-lock acceleration of electrons in the uniform plasma, confirmed with our own simulation. Since the decaying of the intensity is unavoidable in the long distance propagation due to the pump depletion, the energy gain of the high energy laser wakefield accelerator can be greatly enhanced if the current process is exploited.

43 PARTICLE ACCELERATORS↗

DOE OSTI2020

Variable-density buoyancy-driven turbulence with asymmetric initial density distribution

The effects of different initial density distributions on the evolution of buoyancy-driven homogeneous variable-density turbulence (HVDT) at low (0.05) and high (0.75) Atwood numbers are studied by using high-resolution direct numerical simulations. HVDT aims to mimic the acceleration-driven Rayleigh–Taylor and shock-driven Richtmyer–Meshkov instabilities and reveals new physics that arise from variable-density effects on the turbulent mixing. Here, the initial amounts of pure light and pure heavy flows are altered primarily to mimic the variable-density turbulence at the different locations of the Rayleigh–Taylor and Richtmyer–Meshkov instabilities’ mixing layers where the amounts of the mixing fluids are not equal. It is found that for the low Atwood number cases, the asymmetric initial density distribution has limited effects on both global and local flow evolution for HVDT. However, at high Atwood number, both global flow evolution and the local flow structures are strongly affected by the initial composition ratio. The flow composed of more light fluid reaches higher turbulent levels and the local statistics reach their fully-developed behavior earlier in the time evolution. In contrast, during the late time decay, where most of the flow is well-mixed, all parameters become independent of the initial composition ratio for both low and high Atwood number cases.

42 ENGINEERING↗

DOE OSTI2014

Capacitive energy storage and recovery for synchrotron magnets

Feasibility studies on capacitive energy storage and recovery in the main-ring synchrotron of the Japan Proton Accelerator Research Complex were conducted by circuit simulation. The estimated load fluctuation was 96 MVA in total for dipole magnets, which is likely to induce a serious disturbance in the main grid. It was found that the energy stored in the magnets after the excitation period can be recovered to the storage capacitor by controlling the voltage across the energy-storage capacitor using a pulse-width-modulation converter and reused in the next operational cycle. It was also found that the power fluctuation in the main grid can be reduced to 12 MVA. An experimental evaluation of an aluminum metalized film capacitor revealed that capacitance loss was induced by a fluctuating voltage applied to the storage capacitor when applying the proposed method. The capacitance loss was induced by corona discharge around the edges of segmented electrodes of a self-healing capacitor. The use of aluminum-zinc alloy was evaluated as a countermeasure to mitigate the effect induced by the corona discharge. For a zinc content of 8%, which was optimized experimentally, a capacitor with a sufficient life time expectancy of 20 years and a working potential gradient of 250 V/μm was developed.

43 PARTICLE ACCELERATORS↗

DOE OSTI2024

Are turbulence effects on droplet collision–coalescence a key to understanding observed rain formation in clouds?

Rain formation is a critical factor governing the lifecycle and radiative forcing of clouds and therefore it is a key element of weather and climate. Cloud microphysics–turbulence interactions occur across a wide range of scales and are challenging to represent in atmospheric models with limited resolution. Based on past experiments and idealized numerical simulations, it has been postulated that cloud turbulence accelerates rain formation by enhancing drop collision–coalescence. We provide substantial evidence for significant impacts of turbulence on the evolution of cloud droplet size distributions and rain formation by comparing high-resolution observations of cumulus congestus clouds with state-of-the-art large-eddy simulations coupled with a Lagrangian particle-based microphysics scheme. Turbulent coalescence must be included in the model to accurately represent the observed drop size distributions, especially for drizzle drop sizes at lower heights in the cloud. Turbulence causes earlier rain formation and greater rain accumulation compared to simulations with gravitational coalescence only. The observed rain size distribution tail just above cloud base follows a power law scaling that deviates from theoretical scalings considering either a purely gravitation collision kernel or a turbulent kernel neglecting droplet inertial effects, providing additional evidence for turbulent coalescence in clouds. In contrast, large aerosols acting as cloud condensation nuclei (“giant CCN”) do not significantly impact rain formation owing to their long timescale to reach equilibrium wet size relative to the lifetime of rising cumulus thermals. Overall, turbulent drop coalescence exerts a dominant influence on rain initiation in warm cumulus clouds, with limited impacts of giant CCN.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2016

STOCHASTIC PARTICLE ACCELERATION IN TURBULENCE GENERATED BY MAGNETOROTATIONAL INSTABILITY

We investigate stochastic particle acceleration in accretion flows. It is believed that magnetorotational instability (MRI) generates turbulence inside accretion flows and that cosmic rays (CRs) are accelerated by the turbulence. We calculate equations of motion for CRs in the turbulent fields generated by MRI with the shearing box approximation and without back reaction to the field. Our results show that the CRs randomly gain or lose their energy through interaction with the turbulent fields. The CRs diffuse in the configuration space anisotropically: the diffusion coefficient in the direction of the unperturbed flow is about 20 times higher than the Bohm coefficient, while those in the other directions are only a few times higher than the Bohm. The momentum distribution is isotropic and its evolution can be described by the diffusion equation in momentum space where the diffusion coefficient is a power-law function of the CR momentum. We show that the shear acceleration works efficiently for energetic particles. We also cautiously note that in the shearing box approximation, particles that cross the simulation box many times along the radial direction undergo unphysical runaway acceleration by the Lorentz transformation, which needs to be taken into account with special care.

79 ASTRONOMY AND ASTROPHYSICS↗