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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 1,783 records · Page 99
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Mechanisms of heat flux across the Southern Greenland continental shelf in 1/10° and 1/12° ocean/sea ice simulations

The increased presence of warm Atlantic water on the Greenland continental shelf has been connected to the accelerated melting of the Greenland Ice Sheet, particularly in the southwest and southeast shelf regions. Results from two high-resolution coupled ocean-sea ice simulations that utilized either the 1/10-degree Parallel Ocean Program (POP) or the 1/12-degree HYbrid Coordinate Ocean Model (HYCOM) are used to understand the flux of heat on and off the southern Greenland shelf. The analysis reveals that the region of greatest heat flux onto the shelf is southeast Greenland. On the southwestern shelf, heat is mainly exported from the shelf to the interior basins. We identify differences in the shelf break current structure and on-shelf heat content between the two simulations. Just south of the Denmark strait, there is a seasonally persistent pattern of multi-day variability in the cross-shelf heat flux in both simulations. In the POP simulation, this high-frequency signal results in net on-shore heat flux. In the HYCOM simulation, the signal is weaker and results in net off-shelf heat flux. This variability is consistent with Denmark Strait Overflow eddies traveling along the shelf break.

58 GEOSCIENCES↗
DOE OSTI2015

V&V Of CFD Modeling Of The Argonne Bubble Experiment: FY15 Summary Report

In support of the development of accelerator-driven production of the fission product Mo 99, computational fluid dynamics (CFD) simulations of an electron-beam irradiated, experimental-scale bubble chamber have been conducted in order to aid in interpretation of existing experimental results, provide additional insights into the physical phenomena, and develop predictive thermal hydraulic capabilities that can be applied to full-scale target solution vessels. Toward that end, a custom hybrid Eulerian-Eulerian-Lagrangian multiphase solver was developed, and simulations have been performed on high-resolution meshes. Good agreement between experiments and simulations has been achieved, especially with respect to the prediction of the maximum temperature of the uranyl sulfate solution in the experimental vessel. These positive results suggest that the simulation methodology that has been developed will prove to be suitable to assist in the development of full-scale production hardware.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2023

Fully Implicit Conjugate Heat Transfer Analysis of the ARC-Class Vacuum Vessel

The coupled simulation of fusion reactor blankets including neutronics, thermal-hydraulics and thermo-mechanics is expected to speed up the design cycle of fusion reactor design concepts. In this work we demonstrate tight implicit coupling of conjugate heat transfer using the open-source Computational Fluid Dynamics software OpenFOAM for thermo-fluid mechanics and Diablo for thermo-solid mechanics. The heat transfer analysis is augmented by volumetric energy deposition from neutronic calculations using the Monte Carlo N-particle code on both solid and fluid parts of the vacuum vessel. An additional heat flux is imposed on the first wall estimated from the design power of the reactor. The tight coupling is realized through the open-source coupling library, preCICE, and tested on the vacuum vessel of the affordable, robust, compact reactor design by Commonwealth Fusion Systems. The features of the coupling and the influence of different coupling parameters such as coupling schemes, acceleration techniques and convergence criterion are discussed. The coupled simulation results are compared to a thermal-hydraulics simulation which includes only the fluid domains (the liquid immersion molten salt blanket and cooling channel) to demonstrate usefulness of a coupled simulation. Further analysis is performed to identify regions of hot spots for subsequent design improvement. This introduces the outline for integrating conjugate electromagnetics and fluid/solid mechanics (e.g., allow for deformation of the cooling channel walls) with our present approach for future analysis.

Sircar, Arpan↗
DOE OSTI2018

Symplectic multi-particle tracking on GPUs

A symplectic multi-particle tracking model is implemented on the Graphic Processing Units (GPUs) using the Compute Unified Device Architecture (CUDA) language. The symplectic tracking model can preserve phase space structure and reduce non-physical effects in long term simulation, which is important for beam property evaluation in particle accelerators. Though this model is computationally expensive, it is very suitable for parallelization and can be accelerated significantly by using GPUs. In this paper, we optimized the implementation of the symplectic tracking model on both single GPU and multiple GPUs. Using a single GPU processor, the code achieves a factor of 2-10 speedup for a range of problem sizes compared with the time on a single state-of-the-art Central Processing Unit (CPU) node with similar power consumption and semiconductor technology. It also shows good scalability on a multi-GPU cluster at Oak Ridge Leadership Computing Facility. In an application to beam dynamics simulation, the GPU implementation helps save more than a factor of two total computing time in comparison to the CPU implementation.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

Self-consistent PIC simulations of ultimate space charge compensation with electron lenses

Further progress of fundamental particle physics requires high intensity and high brightness of accelerated proton and ion beams. This goal is essential for the FAIR hadron beams at GSI, for the neutrino production at the facilities such as Fermilab and JPARC, and for the Large Hadron Collider luminosity at CERN. One of the most formidable obstacles toward that goal is the beam's own space charge, whose forces cause beam emittance growth, losses and lifetime degradation. Typically, such effects become intolerable when the space charge tune-shift parameter Δ QSC exceeds ~ - (0.25–0.5). To reduce these detrimental effects, it was suggested to use electron lenses to compensate the space charge forces. Furthermore, this paper reports on detailed particle-in-cell space charge and electron lens compensation simulations for extremely intense proton bunches whose space charge tune-shift parameter exceeds -1.0. Different scenarios were evaluated based on reduction in the emittance growth and particle loss at a 4σ aperture. Further, we investigate phenomena and issues related to the focusing lattice errors, importance of the transverse and longitudinal matching of the electron beam profiles to the proton ones, and vary the strength and the number of the electron lenses distributed around a circular machine to optimize the reduction of harmful space charge effects.

43 PARTICLE ACCELERATORS↗
DOE OSTI2015

Alteration of forest succession and carbon cycling under elevated CO 2

Abstract Regenerating forests influence the global carbon (C) cycle, and understanding how climate change will affect patterns of regeneration and C storage is necessary to predict the rate of atmospheric carbon dioxide (CO 2 ) increase in future decades. While experimental elevation of CO 2 has revealed that young forests respond with increased productivity, there remains considerable uncertainty as to how the long‐term dynamics of forest regrowth are shaped by elevated CO 2 (eCO 2 ). Here, we use the mechanistic size‐ and age‐ structured Ecosystem Demography model to investigate the effects of CO 2 enrichment on forest regeneration, using data from the Duke Forest Free‐Air Carbon dioxide Enrichment (FACE) experiment, a forest chronosequence, and an eddy‐covariance tower for model parameterization and evaluation. We find that the dynamics of forest regeneration are accelerated, and stands consistently hit a variety of developmental benchmarks earlier under eCO 2 . Because responses to eCO 2 varied by plant functional type, successional pathways, and mature forest composition differed under eCO 2 , with mid‐ and late‐successional hardwood functional types experiencing greater increases in biomass compared to early‐successional functional types and the pine canopy. Over the simulation period, eCO 2 led to an increase in total ecosystem C storage of 9.7 Mg C ha ‐1 . Model predictions of mature forest biomass and ecosystem–atmosphere exchange of CO 2 and H 2 O were sensitive to assumptions about nitrogen limitation; both the magnitude and persistence of the ecosystem response to eCO 2 were reduced under N limitation. In summary, our simulations demonstrate that eCO 2 can result in a general acceleration of forest regeneration while altering the course of successional change and having a lasting impact on forest ecosystems.

Miller, Adam D.↗
DOE OSTI2019

Porting Adaptive Ensemble Molecular Dynamics Workflows to the Summit Supercomputer

Molecular dynamics (MD) simulations must take very small (femtosecond) integration steps in simulation-time to avoid numerical errors. Efficient use of parallel programming models and accelerators in state-of-the art MD programs now is pushing Moore’s limit for time-per-MD step. As a result, directly simulating timescales beyond milliseconds will not be attainable directly, even at exascale. However, concepts from statistical physics can be used to combine many parallel simulations to provide information about longer timescales and to adequately sample the simulation space, while preserving details about the dynamics of the system. Implementing such an approach requires a workflow program that allows adaptable steering of task assignments based on extensive statistical analysis of intermediate results. Here we report the implementation of such an adaptable workflow program to drive simulations on the Summit IBM Power System AC922, a pre-exascale supercomputer at the Oak Ridge Leadership Computing Facility (OLCF). We compare to experiences on Titan, Summit’s predecessor, report the performance of the workflow and its components, and describe the porting process. We find that using a workflow program managed by a Mongo database can provide the fault tolerance, scalable performance, task dispatch rate, and reconfigurability required for robust and portable implementation of ensemble simulations such as are used in enhanced-sampling molecular dynamics. This type of workflow generator can also be used to provide adaptive steering of ensemble simulations for other applications in addition to MD.

Ossyra, John R.↗
DOE OSTI2016

Verification of the Prompt Radiation Shielding Design of the ESS Accelerator

Fermilab will perform prompt radiation and shielding verification studies for the European Spallation Source ERIC (ESS) accelerator tunnel and existing penetration layouts using the latest information on the beam line and existing models of magnets and cryomodules. The input information about the assumptions, geometry layout, etc. will be provided by the Safety Group (accelerator division, ESS). The MEDT department of the Accelerator Division, Fermilab will provide the results of the studies. MARS15, a Fermilab a multi-purpose Monte-Carlo code developed since 1974, is at the heart of this effort. MARS15 is used for detailed simulation of hadronic and electromagnetic cascades in an arbitrary 3-D geometry of shielding, accelerator, detector and spacecraft components with energy ranging from a fraction of an electronvolt to 100 TeV. This work will provide additional validation of recent additions to the physical models in the code, including the code capabilities to simulate cascades and generate a variety of results in complex media.

43 PARTICLE ACCELERATORS↗
DOE OSTI2013

Integrated system modeling analysis of a cryogenic multi-cell deflecting-mode cavity resonator

A deflecting mode cavity is the integral element for six-dimensional phase-space beam control in bunch compressors and emittance transformers at high energy beam test facilities. RF performance of a high-Q device is, however, highly sensitive to operational conditions, in particular in a cryo-cooling environment. Using analytic calculations and RF simulations, we examined cavity parameters and deflecting characteristics of TM{sub 110,π} mode of a 5 cell resonator in a liquid nitrogen cryostat, which has long been used at the Fermilab A0 Photoinjector (A0PI). The sensitivity analysis indicated that the cavity could lose 30%–40% of deflecting force due to defective input power coupling accompanying non-uniform field distribution across the cells with 40 ∼ 50 MeV electron beam and 70–80 kW klystron power. Vacuum-cryomodules of the 5 cell cavity are planned to be installed at the Fermilab Advanced Superconducting Test Accelerator facility. Comprehensive modeling analysis integrated with multi-physics simulation tools showed that RF loading of 1 ms can cause a ∼5 K maximum temperature increase, corresponding to a ∼4.3 μm/ms deformation and a 1.32 MHz/K maximum frequency shift. The integrated system modeling analysis will improve design process of a high-Q cavity with more accurate prediction of cryogenic RF performance under a high power pulse operation.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

The positron arm of a plasma-based linear collider

Plasma-based acceleration of electrons has produced high-energy beams at high accelerating gradients with a narrow energy spread and high efficiency both in experiments and simulations. Furthermore, it is now being considered as a complementary approach to the use of radiofrequency cavities in next-generation lepton accelerators. However, compared with electrons, plasma-based positron acceleration is at the present time much less advanced. Although high-gradient positron acceleration in a plasma has been achieved, we are one to three orders of magnitude away from delivering the high-quality positron beams needed for a future high-energy linear collider. Here we review the status of plasma-based acceleration of electrons and positrons and discuss the prospects for substantial progress towards developing the positron arm of a plasma-based electron–positron linear collider in the next decade.

Plasma-based accelerators↗
DOE OSTI2023

Particle-in-cell Simulations of Relativistic Magnetic Reconnection with Advanced Maxwell Solver Algorithms

Abstract Relativistic magnetic reconnection is a nonideal plasma process that is a source of nonthermal particle acceleration in many high-energy astrophysical systems. Particle-in-cell (PIC) methods are commonly used for simulating reconnection from first principles. While much progress has been made in understanding the physics of reconnection, especially in 2D, the adoption of advanced algorithms and numerical techniques for efficiently modeling such systems has been limited. With the GPU-accelerated PIC code WarpX, we explore the accuracy and potential performance benefits of two advanced Maxwell solver algorithms: a nonstandard finite-difference scheme (CKC) and an ultrahigh-order pseudo-spectral method (PSATD). We find that, for the relativistic reconnection problem, CKC and PSATD qualitatively and quantitatively match the standard Yee-grid finite-difference method. CKC and PSATD both admit a time step that is 40% longer than that of Yee, resulting in a ∼40% faster time to solution for CKC, but no performance benefit for PSATD when using a current deposition scheme that satisfies Gauss’s law. Relaxing this constraint maintains accuracy and yields a 30% speedup. Unlike Yee and CKC, PSATD is numerically stable at any time step, allowing for a larger time step than with the finite-difference methods. We found that increasing the time step 2.4–3 times over the standard Yee step still yields accurate results, but it only translates to modest performance improvements over CKC, due to the current deposition scheme used with PSATD. Further optimization of this scheme will likely improve the effective performance of PSATD.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

SU-E-T-558: Monte Carlo Photon Transport Simulations On GPU with Quadric Geometry

Purpose: Monte Carlo simulation on GPU has experienced rapid advancements over the past a few years and tremendous accelerations have been achieved. Yet existing packages were developed only in voxelized geometry. In some applications, e.g. radioactive seed modeling, simulations in more complicated geometry are needed. This abstract reports our initial efforts towards developing a quadric geometry module aiming at expanding the application scope of GPU-based MC simulations. Methods: We defined the simulation geometry consisting of a number of homogeneous bodies, each specified by its material composition and limiting surfaces characterized by quadric functions. A tree data structure was utilized to define geometric relationship between different bodies. We modified our GPU-based photon MC transport package to incorporate this geometry. Specifically, geometry parameters were loaded into GPU’s shared memory for fast access. Geometry functions were rewritten to enable the identification of the body that contains the current particle location via a fast searching algorithm based on the tree data structure. Results: We tested our package in an example problem of HDR-brachytherapy dose calculation for shielded cylinder. The dose under the quadric geometry and that under the voxelized geometry agreed in 94.2% of total voxels within 20% isodose line based on a statistical t-test (95% confidence level), where the reference dose was defined to be the one at 0.5cm away from the cylinder surface. It took 243sec to transport 100million source photons under this quadric geometry on an NVidia Titan GPU card. Compared with simulation time of 99.6sec in the voxelized geometry, including quadric geometry reduced efficiency due to the complicated geometry-related computations. Conclusion: Our GPU-based MC package has been extended to support photon transport simulation in quadric geometry. Satisfactory accuracy was observed with a reduced efficiency. Developments for charged particle transport in this geometry are currently in progress.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2024

Collaborative Research: Vlasov-Maxwell Simulations to Resolve Electron Heating and Dissipation, in Quasi-Perpendicular Shocks (Final Report)

Collisionless shocks are a grand challenge problem in plasma physics and have been the subject of study for more than six decades. Shocks are ubiquitous phenomena in the universe and are responsible for transforming high energy and momentum flows into thermal energy and energetic particles. Understanding how shocks operate is of primary importance to understand the sun-earth coupling, protecting manned missions and spacecrafts from high energy particles, inertial confinement fusion, and radiation observed from astrophysical plasmas, such as supernova remnants and astrophysical jets. A major unanswered question on this frontier is, how does a collisionless plasma transform flow energy and momentum into electron thermal energy? Many potential mechanisms have been proposed to perform the conversion between flow and thermal energy in a collisionless plasma, but the answer has been elusive. To solve the mystery, non-relativistic perpendicular and quasi-perpendicular shocks are studied via a coordinated approach employing cutting-edge numerical simulations with the continuum kinetic code Gkeyll and spacecraft observations supplied by NASA's Magnetospheric Multiscale (MMS) mission. In both sets of data, we employ novel techniques to identify how and where energy is exchanged between electromagnetic fields and plasma particles. By combining cutting-edge spacecraft data and numerical simulations with these diagnostics, we have been able to identify some of the primary mechanisms responsible electron heating and dissipation in heliospheric shocks. In addition to electron dynamics, we have complete access to proton simulation and in situ data, enabling us to characterize proton heating and acceleration in quasi-perpendicular shocks. Many astrophysical quasi-perpendicular shocks have similar parameters to those in this study, including supernova remnants and shocks in galaxy clusters. Additionally, the simulation code, Gkeyll, and associated analysis scripts are openly available for community use. This award has supported a collaborative effort between Princeton University, the University of Arizona - Tucson, and the University of Maryland - College Park. The award funded three early career scientists, including the funding and training of one female postdoctoral researcher, who was involved in all aspects of the MMS data analysis and some portions of the simulation analysis.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

A domain decomposition method for pseudo-spectral electromagnetic simulations of plasmas

Pseudo-spectral electromagnetic solvers (i.e. representing the fields in Fourier space) have extraordinary precision. In particular, Haber et al. presented in 1973 a pseudo-spectral solver that integrates analytically the solution over a finite time step, under the usual assumption that the source is constant over that time step. Yet, pseudo-spectral solvers have not been widely used, due in part to the difficulty for efficient parallelization owing to global communications associated with global FFTs on the entire computational domains. A method for the parallelization of electromagnetic pseudo-spectral solvers is proposed and tested on single electromagnetic pulses, and on Particle-In-Cell simulations of the wakefield formation in a laser plasma accelerator. The method takes advantage of the properties of the Discrete Fourier Transform, the linearity of Maxwell’s equations and the finite speed of light for limiting the communications of data within guard regions between neighboring computational domains. Although this requires a small approximation, test results show that no significant error is made on the test cases that have been presented. The proposed method opens the way to solvers combining the favorable parallel scaling of standard finite-difference methods with the accuracy advantages of pseudo-spectral methods.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Accelerated Zymonic Acid Formation from Pyruvic Acid at the Interface of Aqueous Nanodroplets

To explore the role of the liquid interface in mediating reactivity in small compartments, the formation kinetics of zymonic acid (ZA) is measured in submicron aerosols (average radius = 240 nm) using mass spectrometry. The formation of ZA, from a condensation reaction of two pyruvic acid (PA) molecules, proceeds over days in bulk solutions, while in submicron aerosols, it occurs in minutes. The experimental results are replicated in a kinetic model using an apparent interfacial reaction rate coefficient of krxn = (0.9 ± 0.2) × 10-3 M-1 s-1. The simulation reveals that surface activity of PA coupled with an enhanced interfacial reaction rate drives accelerated ZA formation in aerosols. Experimental and simulated results provide compelling evidence that the condensation reaction of PA occurs exclusively at the aerosol interface with a reaction rate coefficient that is enhanced by 4 orders of magnitude (∼104) relative to what is estimated for macroscale solutions.

Kim, Pyeongeun↗
DOE OSTI2013

Ion acceleration from laser-driven electrostatic shocks

Multi-dimensional particle-in-cell simulations are used to study the generation of electrostatic shocks in plasma and the reflection of background ions to produce high-quality and high-energy ion beams. Electrostatic shocks are driven by the interaction of two plasmas with different density and/or relative drift velocity. The energy and number of ions reflected by the shock increase with increasing density ratio and relative drift velocity between the two interacting plasmas. It is shown that the interaction of intense lasers with tailored near-critical density plasmas allows for the efficient heating of the plasma electrons and steepening of the plasma profile at the critical density interface, leading to the generation of high-velocity shock structures and high-energy ion beams. Our results indicate that high-quality 200 MeV shock-accelerated ion beams required for medical applications may be obtained with current laser systems.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗