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At least 1,567 records · Page 87

Irradiation instability at the inner edges of accretion disks

An instability can potentially operate in highly irradiated disks where the disk sharply transitions from being radially transparent to opaque (the 'transition region'). Such conditions may exist at the inner edges of transitional disks around T Tauri stars and accretion disks around active galactic nuclei. We derive the criterion for this instability, which we term the 'irradiation instability', or IRI. We also present the linear growth rate as a function of β, the ratio between radiation force and gravity, and c{sub s}, the sound speed of the disk, obtained using two methods: a semi-analytic analysis of the linearized equations and a numerical simulation using the GPU-accelerated hydrodynamical code PEnGUIn. In particular, we find that IRI occurs at β ∼ 0.1 if the transition region extends as wide as ∼0.05r, and at higher β values if it is wider. This threshold value applies to c{sub s} ranging from 3% of the Keplerian orbital speed to 5%, and becomes higher if c{sub s} is lower. Furthermore, in the nonlinear evolution of the instability, disks with a large β and small c{sub s} exhibit 'clumping', extreme local surface density enhancements that can reach over 10 times the initial disk surface density.

79 ASTRONOMY AND ASTROPHYSICS↗

Simulations of Merging and Squeezing Bunches in Booster and AGS

During the 2012 RHIC run, uranium, gold, and copper ions from EBIS were accelerated in Booster and AGS and delivered to RHIC for the physics program. In order to achieve the desired number of ions per bunch in RHIC, it was necessary to merge bunches in both Booster and AGS. After the bunches are merged in AGS, they need to be squeezed into harmonic 12 buckets for subsequent acceleration. In this note we carry out simulations of bunch merging and squeezing in Booster and AGS. These are meant to serve as benchmarks for what can be achieved in practice. In Booster the total longitudinal emittance of the 4 bunches to be merged is taken to be 0.15 eV s per nucleon. In AGS the total for each group of 4 bunches to be merged is taken to be 0.60 eV s per nucleon. The simulations show that the RF voltages currently available in Booster and AGS are sufficient for merging and holding the merged bunches in RF buckets. The voltages available in AGS are not sufficient for completely squeezing the merged bunches into harmonic 12 buckets. The merging of bunches is treated in sections 9 through 12. The required squeezing into harmonic 12 buckets is treated in sections 13 and 14. Debunching and rebunching beam as an alternative to merging bunches in Booster is treated in section 15. For completeness, sections 1 through 8 give a derivation of the turn-by-turn equations of longitudinal motion at constant magnetic field. The derivation is based on the work of MacLachlan. The reader may wish to skip over these sections and start with section 9.

43 PARTICLE ACCELERATORS↗

Simulations of Merging and Squeezing Bunches in Booster and AGS

During the 2012 RHIC run, uranium, gold, and copper ions from EBIS were accelerated in Booster and AGS and delivered to RHIC for the physics program. In order to achieve the desired number of ions per bunch in RHIC, it was necessary to merge bunches in both Booster and AGS. After the bunches are merged in AGS, they need to be squeezed into harmonic 12 buckets for subsequent acceleration. In this note we carry out simulations of bunch merging and squeezing in Booster and AGS. These are meant to serve as benchmarks for what can be achieved in practice. In Booster the total longitudinal emittance of the 4 bunches to be merged is taken to be 0.15 eV s per nucleon. In AGS the total for each group of 4 bunches to be merged is taken to be 0.60 eV s per nucleon. The simulations show that the RF voltages currently available in Booster and AGS are sufficient for merging and holding the merged bunches in RF buckets. The voltages available in AGS are not sufficient for completely squeezing the merged bunches into harmonic 12 buckets. The merging of bunches is treated in sections 9 through 12. The required squeezing into harmonic 12 buckets is treated in sections 13 and 14. Debunching and rebunching beam as an alternative to merging bunches in Booster is treated in section 15. For completeness, sections 1 through 8 give a derivation of the turn-by-turn equations of longitudinal motion at constant magnetic field. The derivation is based on the work of MacLachlan. The reader may wish to skip over these sections and start with section 9.

43 PARTICLE ACCELERATORS↗

Accelerating Thermochemical Equilibrium Calculations for Nuclear Reactor Applications

Thermochemical properties play a key role in modeling and simulation of several key phenomena in nuclear reactors. There has been an increasing interest in incorporating CALPHAD-based formulations in multiphysics simulations including for Molten Salt Reactors where knowledge of phase evolution of the salt and the chemical potentials of various elements are of utmost importance in source term analyses and redox control. However, the size of such simulations is often limited by the high computational cost of full thermodynamic equilibrium calculations. This work discusses the current efforts aimed at accelerating thermochemical equilibrium calculations for multiphysics simulations performed using the open-source finite element / finite volume code Multiphysics Object Oriented Simulation Environment (MOOSE) [1]. While several methods have been proposed for accelerating phase equilibrium calculations [2], most focus on relatively small systems and often rely on a- priori knowledge of the state-space of the system. Nuclear materials, however, are often multi-component systems owing to the evolution of composition under irradiation and an approach based on a-priori mapping of phase diagram is often not enough. This work is aimed at demonstrating an on-the-fly surrogate modeling framework that uses active learning to reduce the number of full equilibrium calculations that must be performed. By combining with efficient coupling approaches, the surrogate framework helps in reducing the computational cost of thermodynamic equilibrium informed multiphysics simulations of nuclear materials. The performance is benchmarked against full coupling with the thermochemistry library Thermochimica [3]. This work uses a machine learning based approach for constructing surrogate models to predict the stable phases in a multicomponent system. The surrogates were constructed using neural networks and Gaussian process classification. In this work, we compare the relative performance of the two methods. We also demonstrate the use of caching previous calculations by interpolating the values from nearest neighbors. References [1] Lindsay, A.D., et al. "2.0 – MOOSE: Enabling massively parallel multiphysics simulation", SoftwareX, 20 (2022): 101202. [2] Roos, W.A. and Zietsman J.H. "Accelerating complex chemical equilibrium calculations – A Review", Calphad, 77 (2022): 102380. [3] Piro, M.H.A., et al. "The thermochemistry library Thermochimica", Computational Materials Science, 67 (2013): 266-272.

36 MATERIALS SCIENCE↗

On a Critical Acceleration Scale of Dark Matter in ΛCDM and Dynamical Dark Energy

Abstract Universal acceleration a 0 emerges in various empirical laws, yet its fundamental nature remains unclear. Using Illustris and Virgo N -body simulations, we focus on the velocity and acceleration fluctuations in collisionless dark matter involving long-range gravity. For comparison, in the kinetic theory of gases, molecules undergo random elastic collisions involving short-range interactions, where only velocity fluctuations are relevant. Hierarchical structure formation proceeds through the merging of smaller halos to form larger halos, which facilitates a continuous energy cascade from small to large halos at a constant rate ε u ≈ −10 −7 m 2 s −3 . Velocity fluctuations involve a critical velocity u c ∝ (1 + z ) −3/4 . Acceleration fluctuations involve a critical acceleration a c ∝ (1 + z ) 3/4 . Two critical quantities are related by the rate of energy cascade ε u ≈ − a c u c /[2(3 π ) 2 ], where factor 3 π is from the angle of incidence during merging. With critical velocity u c on the order of 300 km s −1 at z = 0, the critical acceleration is determined to be a c 0 ≡ a c ( z = 0) ≈ 10 −10 m s −2 , suggesting a c might explain the universal acceleration a 0 ≈ 10 −10 m s −2 in the empirical Tully–Fisher relation or modified Newtonian dynamics. The redshift evolution a c ∝ (1 + z ) 3/4 is in good agreement with Magneticum and EAGLE simulations and in reasonable agreement with limited observations. This suggests a larger a 0 at a higher redshift such that galaxies of fixed mass rotate faster at a higher redshift. Note that for dark energy (DE) density ρ DE 0 ≈ a c 0 2 / G = 1 0 − 10 J m −3 , we postulate an entropic origin of the DE from acceleration fluctuations of dark matter, analogous to the gas pressure from velocity fluctuations. This leads to a dynamical DE coupled to the structure evolution involving a relatively constant DE density followed by a slow weakening phase, suggesting possible deviations from the standard ΛCDM paradigm.

N-body simulations↗

Ultra-relativistic ion acceleration in the laser-plasma interactions

An analytical relativistic model is proposed to describe the relativistic ion acceleration in the interaction of ultra-intense laser pulses with thin-foil plasmas. It is found that there is a critical value of the ion momentum to make sure that the ions are trapped by the light sail and accelerated in the radiation pressure acceleration (RPA) region. If the initial ion momentum is smaller than the critical value, that is in the classical case of RPA, the potential has a deep well and traps the ions to be accelerated, as the same described before by simulation results [Eliasson et al., New J. Phys. 11, 073006 (2009)]. There is a new ion acceleration region different from RPA, called ultra-relativistic acceleration, if the ion momentum exceeds the critical value. In this case, ions will experience a potential downhill. The dependence of the ion momentum and the self-similar variable at the ion front on the acceleration time has been obtained. In the ultra-relativistic limit, the ion momentum at the ion front is proportional to t{sup 4/5}, where t is the acceleration time. In our analytical hydrodynamical model, it is naturally predicted that the ion distribution from RPA is not monoenergetic, although the phase-stable acceleration mechanism is effective. The critical conditions of the laser and plasma parameters which identify the two acceleration modes have been achieved.

43 PARTICLE ACCELERATORS↗

Nonlinear and adaptive estimation techniques in reentry

The development and testing of nonlinear and adaptive estimators for reentry (e.g. space shuttle) navigation and model parameter estimation or identification are reported. Of particular interest is the identifcation of vehicle lift and drag characteristics in real time. Several nonlinear filters were developed and simulated. Adaptive filters for the real time identification of vehicle lift and drag characteristics, and unmodelable acceleration, were also developed and tested by simulation. The simulations feature an uncertain system environment with rather arbitrary model errors, thus providing a definitive test of estimator performance. It was found that nonlinear effects are indeed significant in reentry trajectory estimation and a nonlinear filter is demonstrated which successfully tracks through nonlinearities without degrading the information content of the data. Under the same conditions the usual extended Kalman filter diverges and is useless. The J-adaptive filter is shown to successfully track errors in the modeled vehicle lift and drag characteristics. The same filter concept is also shown to track successfully through rather arbitrary model errors, including lift and drag errors, vehicle mass errors, atmospheric density errors, and wind gust errors.

Jazwinski, A. H.↗

ESTIMATION OF THE WAKEFIELD RESONANT FREQUENCY USING DIFFERENT SIMULATION TOOLS

Reliable and fast wakefield calculations are important for beam dynamics and THz generation in accelerators. We compare approaches and limitations with different available simulation tools and compare results. As an example, we analyse a cylindrical corrugated waveguide with narrower and wider radii of 5 and 6 mm, and aperture width and periodicity of 1 and 2 mm using ABCI by KEK and ANSYS HFSS simulation software. First, ABCI was used to determine the resonant frequency of the cylindri-cal corrugated waveguide with different lengths. The corresponding results were taken as a reference to exam-ine the simulation method in the ANSYS HFSS environ-ment. The eigenmode solver of ANSYS HFSS was used to determine different resonant frequencies. This was fol-lowed by examining a cylindrical corrugated waveguide that was implemented having a length of 17 mm for dif-ferent conductor settings. The corresponding waveguide was fed by a plane wave having a resonant frequency that satisfies the intersection of the light line and dispersion curve of the corresponding mode. The analysis showed that the maximum loss factor was achieved at 39.20 and 40.07 GHz using ANSYS HFSS simulation data for differ-ent conductors, whereas ABCI resulted in 38.50 GHz. The talk will present the results gathered by different simula-tion setups implemented in ANSYS HFSS.

Unutmaz, Muhammed [SLAC National Accelerator Labor↗

Stochastic Optimization to Find Optimum Beginning-of-Life Core Configuration of Stable Salt Reactor with Online Refueling

A stochastic optimization method has been developed to find an optimum equilibrium cycle core configuration of the waste-burning stable salt reactor, which is a fast-spectrum molten salt reactor with frequent online refueling. An optimum core configuration was determined with the goal of minimizing radial power peaking. Because of the vast number of potential candidate core configurations, stochastic optimization was applied based on simulated annealing and an additional acceleration method, which screened out unpromising core configurations. It has been demonstrated that the developed stochastic optimization method successfully finds the optimal core configuration regardless of the initial guess and outperforms the gradient descent approach. In addition, it has been observed that the use of a so-called out-in core configuration as the initial guess speeds up convergence of the iterative solution more than five times. Based on the searched optimum equilibrium cycle core configuration, new beginning-of-life (BOL) core configurations have been developed. In conclusion, the new BOL core configurations will be used in developing optimum refueling strategies.

Moltex static salt reactor↗

Modeling of advanced accelerator concepts

Computer modeling is essential to research on Advanced Accelerator Concepts (AAC), as well as to their design and operation. This paper summarizes the current status and future needs of AAC systems and reports on several key aspects of (i) high-performance computing (including performance, portability, scalability, advanced algorithms, scalable I/Os and In-Situ analysis), (ii) the benefits of ecosystems with integrated workflows based on standardized input and output and with integrated frameworks developed as a community, and (iii) sustainability and reliability (including code robustness and usability).

47 OTHER INSTRUMENTATION↗

Wavelet and Multiresolution Analysis for Finite Element Networking Paradigms

This paper presents a final report on Wavelet and Multiresolution Analysis for Finite Element Networking Paradigms. The focus of this research is to derive and implement: 1) Wavelet based methodologies for the compression, transmission, decoding, and visualization of three dimensional finite element geometry and simulation data in a network environment; 2) methodologies for interactive algorithm monitoring and tracking in computational mechanics; and 3) Methodologies for interactive algorithm steering for the acceleration of large scale finite element simulations. Also included in this report are appendices describing the derivation of wavelet based Particle Image Velocity algorithms and reduced order input-output models for nonlinear systems by utilizing wavelet approximations.

Kurdila, Andrew J.↗

Pathways and Mechanism of Caffeine Binding to Human Adenosine A 2A Receptor

Caffeine (CFF) is a common antagonist to the four subtypes of adenosine G-protein-coupled receptors (GPCRs), which are critical drug targets for treating heart failure, cancer, and neurological diseases. However, the pathways and mechanism of CFF binding to the target receptors remain unclear. In this study, we have performed all-atom-enhanced sampling simulations using a robust Gaussian-accelerated molecular dynamics (GaMD) method to elucidate the binding mechanism of CFF to human adenosine A 2A receptor (A 2A AR). Multiple 500–1,000 ns GaMD simulations captured both binding and dissociation of CFF in the A 2A AR. The GaMD-predicted binding poses of CFF were highly consistent with the x-ray crystal conformations with a characteristic hydrogen bond formed between CFF and residue N6.55 in the receptor. In addition, a low-energy intermediate binding conformation was revealed for CFF at the receptor extracellular mouth between ECL2 and TM1. While the ligand-binding pathways of the A 2A AR were found similar to those of other class A GPCRs identified from previous studies, the ECL2 with high sequence divergence serves as an attractive target site for designing allosteric modulators as selective drugs of the A 2A AR.

59 BASIC BIOLOGICAL SCIENCES↗

Positron acceleration in plasma bubble wakefield driven by an ultraintense laser

The dynamics of positrons accelerating in electron-positron-ion plasma bubble fields driven by an ultraintense laser is investigated. The bubble wakefield is obtained theoretically when laser pulses are propagating in the electron-positron-ion plasma. To restrict the positrons transversely, an electron beam is injected. Acceleration regions and non-acceleration ones of positrons are obtained by the numerical simulation. It is found that the ponderomotive force causes the fluctuation of the positrons momenta, which results in the trapping of them at a lower ion density. The energy gaining of the accelerated positrons is demonstrated, which is helpful for practical applications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Ion beam emittance from an ECRIS

Simulation of ion beam extraction from an Electron Cyclotron Resonance Ion Source (ECRIS) is a fully 3 dimensional problem, even if the extraction geometry has cylindrical symmetry. Because of the strong magnetic flux density, not only the electrons are magnetized but also the Larmor radius of ions is much smaller than the geometrical dimension of the plasma chamber (Ø 64 × 179 mm). If we assume that the influence of collisions is small on the path of particles, we can do particle tracking through the plasma if the initial coordinates of particles are known. We generated starting coordinates of plasma ions by simulation of the plasma electrons, accelerated stochastically by the 14.5 GHz radio frequency power fed to the plasma. With that we were able to investigate the influence of different electron energies on the extracted beam. Using these assumptions, we can reproduce the experimental results obtained 10 years ago, where we monitored the beam profile with the help of viewing targets. Additionally, methods have been developed to investigate arbitrary 2D cuts of the 6D phase space. To this date, we are able to discuss full 4D information. Currently, we extend our analysis tool towards 5D and 6D, respectively.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Status of the Short-Pulse X-ray Project at the Advanced Photon Source

The Advanced Photon Source Upgrade (APS-U) Project at Argonne will include generation of short-pulse x-rays based on Zholents deflecting cavity scheme. We have chosen superconducting (SC) cavities in order to have a continuous train of crabbed bunches and flexibility of operating modes. In collaboration with Jefferson Laboratory, we are prototyping and testing a number of single-cell deflecting cavities and associated auxiliary systems with promising initial results. In collaboration with Lawrence Berkeley National Laboratory, we are working to develop state-of-the-art timing, synchronization, and differential rf phase stability systems that are required for SPX. Collaboration with Advanced Computations Department at Stanford Linear Accelerator Center is looking into simulations of complex, multi-cavity geometries with lower- and higher-order modes waveguide dampers using ACE3P. This contribution provides the current R&D status of the SPX project.

43 PARTICLE ACCELERATORS↗

Simulation study of ion beam used to produce Mo-99

An 820 mA CW positive ion source is being developed to produce Mo-99 using the fusion of deuterium and tritium ion beams on a rotating target to produce neutrons for use in the production of radiopharmaceuticals. The ion source consists of an RF plasma source, a multi-aperture extractor, and 300 kV accelerating column. This paper will describe a simulation study of the beam through the extractor grid and the accelerator to the target. The uniformity of beam distribution on the target is an important aspect of the simulation.

43 PARTICLE ACCELERATORS↗

Characterization and Modeling of High-Intensity Evolution in the SNS Beam Test Facility

Modern high-power accelerators are charged with delivering reliable beam with low losses. Resolving the complex dynamics arising from space charge and nonlinear forces requires detailed models of the accelerator and particle-in-cell simulation. There has historically been discrepancy between simulated and measured beam distributions, particularly at the low-density halo level. The Beam Test Facility (BTF) at the Spallation Neutron Source is outfitted to study beam evolution in a high-power linear accelerator MEBT. This includes capability for high-dimensional measurements of the post-RFQ beam distribution, including interplane correlations that may be the key to accurate simulation. Beam is transported through a 4.6 m FODO channel (9.5 cells) to a second distribution measurement stage. Plans for validating simulations against BTF measurements of beam evolution in the FODO channel are discussed.

Ruisard, Kiersten↗

PIC simulation of electrodeless plasma thruster with rotating electric field

For longer lifetime of electric propulsion system, an electrodeless plasma thruster with rotating electric field have been proposed utilizing a helicon plasma source. The rotating electric field may produce so-called Lissajous acceleration of helicon plasma in the presence of diverging magnetic field through a complicated mechanism originating from many parameters. Two-dimensional simulations of the Lissajous acceleration were conducted by a code based on Particle-In-Cell (PIC) method and Monte Carlo Collision (MCC) method for understanding plasma motion in acceleration area and for finding the optimal condition. Obtained results show that azimuthal current depends on ratio of electron drift radius to plasma region length, AC frequency, and axial magnetic field. When ratio of cyclotron frequency to the AC frequency is higher than unity, reduction of the azimuthal current by collision effect is little or nothing.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗