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Results for “Nonlinear diffusion acceleration”

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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Acceleration of diffusive molecular dynamics simulations through mean field approximation and subcycling time integration

Highlights: • Two numerical methods are presented to accelerate DMD simulations. • The methods greatly reduce the computation time without much loss of accuracy. • The accelerated DMD model is capable of simulating long-term mass transport at atomistic length scales. • Demonstrated for the propagation of an atomically sharp phase boundary over 30 seconds. - Abstract: Diffusive Molecular Dynamics (DMD) is a class of recently developed computational models for the simulation of long-term diffusive mass transport at atomistic length scales. Compared to previous atomistic models, e.g., transition state theory based accelerated molecular dynamics, DMD allows the use of larger time-step sizes, but has a higher computational complexity at each time-step due to the need to solve a nonlinear optimization problem at every time-step. This paper presents two numerical methods to accelerate DMD based simulations. First, we show that when a many-body potential function, e.g., embedded atom method (EAM), is employed, the cost of DMD is dominated by the computation of the mean of the potential function and its derivatives, which are high-dimensional random variables. To reduce the cost, we explore both first- and second-order mean field approximations. Specifically, we show that the first-order approximation, which uses a point estimate to calculate the mean, can reduce the cost by two to three orders of magnitude, but may introduce relatively large error in the solution. We show that adding an approximate second-order correction term can significantly reduce the error without much increase in computational cost. Second, we show that DMD can be significantly accelerated through subcycling time integration, as the cost of integrating the empirical diffusion equation is much lower than that of the optimization solver. To assess the DMD model and the numerical approximation methods, we present two groups of numerical experiments that simulate the diffusion of hydrogen in palladium nanoparticles. In particular, we show that the computational framework is capable of capturing the propagation of an atomically sharp phase boundary over a time window of more than 30 seconds. The effects of the proposed numerical methods on solution accuracy and computation time are also assessed quantitatively.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Complete quasilinear model for the acceleration-driven lower hybrid drift instability and a computational assessment of its validity

A complete quasilinear model is derived for the electrostatic acceleration-driven lower hybrid drift instability in a uniform two-species low-beta plasma in which current is perpendicular to the background magnetic field. The model consists of coupled nonlinear velocity space diffusion equations for the volume-averaged ion and electron distribution functions. Each species' diffusion coefficient depends on a time-evolving spectral density of the electric-field energy per unit volume and a time-evolving dispersion relation. The dispersion relation is expressed analytically in integral form without the use of asymptotic limits and applies to arbitrary distribution functions, so long as they can be expressed as a function of one velocity coordinate, e.g., f⁡(vy) or f⁡(v⊥). The quasilinear model conserves energy and is complete in that it fully describes the evolution of the distribution functions, including resonant and nonresonant particle-wave interactions, while accounting for distribution-function-dependent mixed-complex frequencies. Further, the quasilinear diffusion model is solved numerically and self-consistently using a Crank-Nicolson temporal discretization and a second-order finite-volume velocity-space discretization. Numerical solutions are compared to nonlinear fourth-order accurate continuum kinetic Vlasov-Poisson simulations. Evolution of electric-field energy, growth rates, distribution functions, and diffusion coefficients are shown to be in agreement with Vlasov simulations. The quasilinear model is shown to predict anomalous transport terms, like resistivity and heating, to within a factor of order unity. Discrepancies between the quasilinear model and Vlasov simulations are assessed and attributed primarily to lack of damping in the quasilinear description and to the use of unperturbed-orbit susceptibilities in the linear theory dispersion relation. The results illuminate the predictive accuracy of the quasilinear model, place approximate bounds on its validity, and provide much needed vetting of quasilinear theory's ability to predict the nonlinear state of a microturbulent plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

A fully coupled two-level Schwarz preconditioner based on smoothed aggregation for the transient multigroup neutron diffusion equations

The neutron multigroup diffusion equations is an important approximation of the neutron transport equation, and has been widely used for studying the motion of neutrons and their interactions with the stationary background materials. Solving the multigroup diffusion equations faces challenging because many variables are coupled together and a lot of computing resources are required. In this paper, we focus on the development of a scalable parallel algorithm framework for the system of equations arising from the discretization of the multigroup diffusion equations using a finite element method in space and using an implicit scheme in time. The parallel agorithm framweork consists of an inexact Jacobian-free Newton for the nonlinear equations, a Krylov subspace method for the Jacobian system and a parallel Schwarz preconditioner for the acceleration of the algorithm convergence. A coarse space based on smoothed aggregation is introduced to construct a two-level method to improve the parallel performance of the Schwarz preconditioner. We numerically shown that compared with the one-level method, the proposed two-level method works significantly better in terms of the number of linear iterations and the compute time for a system of equations with millions of unknowns and a supercomputer with thousands of processors.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Suppression of Tearing Modes by Radio Frequency Current Condensation [Suppression of Tearing Modes by RF Current Condensation]

Currents driven by radio frequency (rf) waves in the interior of magnetic islands can stabilize deleterious tearing modes in tokamaks. Present analyses of stabilization assume that the local electron acceleration is unaffected by the presence of the island. However, the power deposition and electron acceleration are sensitive to the perturbation of the temperature. The nonlinear feedback on the power deposition in the island increases the temperature perturbation, and can lead to a bifurcation of the solution to the steady-state heat diffusion equation. The combination of the nonlinearly enhanced temperature perturbation with the rf current drive sensitivity to the temperature leads to an rf current condensation effect, which can increase the efficiency of rf current drive stabilization and reduce its sensitivity to radial misalignment of the ray trajectories. As a result, the threshold for the effect is in a regime that has been encountered in experiments, and will likely be encountered in ITER.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Gas Jet Profile Monitor for Use in IOTA Proton Beam

The Integrable Optics Test Accelerator (IOTA) at the Fermilab Accelerator Science and Technology (FAST) Facility will attempt to demonstrate novel techniques for high current accelerators. An electron beam of 150 MeV/c momentum and a proton beam of 70 MeV/c momentum will be used for a number of experiments, including nonlinear focusing integrable optics, space charge compensation, and optical stochastic cooling. The low energy proton beam will provide a space charge dominated regime with which to investigate Hamiltonian diffusion and chaos. A non-invasive beam instrumentation device is needed to study emittance evolution and halo formation without destroying the beam. A supersonic gas jet curtain can be injected perpendicular to the proton beam, which will preserve the integrity of the beam and provide a two-dimensional turn-by-turn profile measurement. Currently, IOTA and the gas jet monitor are being built and commissioned at Fermilab.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

Kinetic characterization of 3D magnetic reconnection: A transformative step (Final Report)

We investigated magnetic reconnection in the Earth’s magnetopause, magnetotail, and the bow shock, by means of fully kinetic simulations and analysis of space data obtained by NASA’s Magnetospheric Multiscale mission. We elucidated signatures of particle energization in particle distribution functions in the vicinity of reconnection X-line, properties of reconnection in shock-driven turbulence, and wave excitations and nonlinear structures. We advanced the understanding of magnetic reconnection from the viewpoint of particle kinetics in the diffusion region.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Finite-size effects in lead scandium tantalate relaxor thin films

Large electromechanical effects in relaxor ferroelectrics are generally attributed to the collective response of an ensemble of correlated, nanometer-sized polar structures induced by chemical and charge disorder. Here, we study finite-size effects on such polar order (i.e., how it evolves when sample dimensions approach the polarization correlation length) in 7–70-nm-thick films of the relaxor ferroelectric PbSc 0.5 Ta 0.5 O 3 . Temperature-dependent polarization studies reveal a linear suppression of the polarization and nonlinearity associated with relaxor order as the film thickness decreases to ≈ 30 nm. Below this thickness, however, the suppression rapidly accelerates, and polarization is completely absent by film thicknesses of ≈ 7 nm, despite the continued observation of a broad peak in dielectric permittivity and frequency dispersion. Diffuse-scattering measurements reveal the diffuse-scattering symmetry, and analysis suggests the films have a polarization correlation length of ≈ 23 nm. Finally, taken together, it is apparent that reduction of sample size and the resulting distribution of polar structures drive suppression and eventual quenching of the electrical response of relaxors, which may be attributed to increasing dipole-dipole and dipole-interface interactions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Conversion of spectral characteristics of laser radiation in periodic domain structures written by the electron-beam method in planar waveguides formed by Ti diffusion in Y-oriented LiNbO{sub 3}

Periodic domain structures for nonlinear conversion of spectral characteristics of laser radiation in the planar Ti : LiNbO{sub 3} waveguide have been formed by the method of electron-beam writing. Domain gratings with a spatial period of 6.50 μm formed in the Y-cut plate over a wide range of accelerating voltages have been visualised by the method of second harmonic generation microscopy (SHG-microscopy) in transmitting geometry and at waveguide excitation. It is found that the domain structure written at an accelerating voltage of 10 kV in a waveguide with an exponential refractive index profile and an effective thickness of 1.75 μm is characterised by high homogeneity. It is composed of continuous domain rows and provides near-quasi-phase-matching radiation conversion at a wavelength of 1053 nm into the second harmonic for the TE{sub 0} → TE{sub 1} waveguide process. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

The Impact of Anomalous Resistivity in Vacuum Contaminant Plasmas on the Electrothermal Instability

This manuscript presents an assessment of the electrothermal instability (ETI) in the presence of anomalous resistivity (AR) in vacuum contaminant plasmas (VCP) when applied to a magnetized liner inertial fusion (MagLIF)-like load.Pulsed-power driven dielectrically coated metallic liners, like in MagLIF, experience the current-driven electrothermal instability which occurs when a material’s resistivity changes with temperature and is subject to ohmic heating. Large scale pulsed-power facilities that use magnetically insulated transmission lines (MITL) have been shown to generate low-density plasma which enters the target chamber and coalesces around the load. The low-density high-temperature vacuum contaminant plasmas (VCP) can parasitically divert current from the load through causing a short in the anode-cathode gap inside the target chamber. Resistive magnetohydrodynamic (MHD) simulations of these VCP experience unphysical runaway ohmic heating due to under predicting the resistivity by using a purely collisional resistivity model.AR provides a physics-based way to address this runaway heating through increasing the resistivity in a proportional way with the drift speed. In this work, 1D simulations probe the effect that AR in VCP has on the magnetic diffusion rate, and 2D simulations show how this effect manifests in the nonlinear striation form of the ETI for a MagLIF-like load. Beryllium and aluminum dielectrically coated liners are used for the 1D and 2D simulations in this work. The1D simulations show that a VCP causes a delay in the current delivery to the load by upwards of 8 ns at 60 ns into atypical current pulse for an 1 × 10 7 A scale pulsed-power accelerator. The 2D simulations show the delay observed in the 1D simulations is reduced substantially (4 ns) by 2D turbulence that disrupts the VCP layer early in time. Here, the 2Dsimulated ETI growth varies across AR models, more so for the beryllium liner than the aluminum liner because the beryllium liner shows an enhanced rate of penetration for the magnetic diffusion wave in comparison to the aluminum liner. The 2D simulations show the bulk dielectric thickness varies across AR models with the Davidson AR model beingthe largest and the Buneman AR model being the smallest, and in connection with the thickness the Rayleigh-Taylor bubble-spike distances varies correspondingly.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Accelerated Deterministic Phonon Transport With Consistent Material Temperature and Intensities

Abstract We present a method for deterministically solving the frequency and temperature dependent phonon radiative transport (PRT) equation in the single-mode relaxation time (SMRT) approximation in the self-adjoint angular flux (SAAF) form. To handle the nonlinear coupling between the phonon intensities and the material temperature, we apply a linearization approach that is similar to one in thermal radiative transport. This procedure leads to the PRT equation with pseudo-scattering. The method presented includes acceleration of both the inner pseudo-scattering source iterations and outer temperature iteration with a gray diffusion synthetic acceleration (DSA) and Anderson acceleration, respectively. We use the finite-element method to discretize the PRT equation in space and the method of discrete ordinates (SN) for angular discretization. The proposed method is verified by a gray method of manufactured solutions problem and demonstrated on a problem using temperature and direction dependent multigroup data from lithium aluminate (LiAlO2). The iterative performance of the acceleration method in each test is then compared to the unaccelerated method.

Engineering↗
DOE OSTI2025

Hybrid learning techniques for scientific data reduction with performance guarantees

The research initiatives supported by the U.S. Department of Energy (DOE) Grant DE-SC0022265 are fundamentally aimed at pioneering advanced machine learning (ML) techniques for scientific data compression within high-performance computing (HPC) environments. This comprehensive body of work addresses the critical challenge posed by the exponential growth of data generated by scientific simulations in domains such as fusion energy, climate modeling, and computational fluid dynamics (CFD). A core objective is to develop compression algorithms that achieve substantial data reduction—often by orders of magnitude—while rigorously ensuring the fidelity of both the primary data (PD) and scientifically crucial derived quantities of interest (QoI). The methodologies deployed under this grant integrate sophisticated deep learning architectures, prominently featuring autoencoders, advanced generative models like conditional diffusion, and hybrid learning techniques. Key innovations include the development of Guaranteed Autoencoders (GAE) and the Guaranteed Conditional Diffusion with Tensor Correction (GCDTC) framework, which provide explicit, instance-level error bounds on reconstructed data. Furthermore, specialized strategies such as nonlinear constraint satisfaction are employed to preserve the integrity of QoI, a vital requirement for the trustworthiness of downstream scientific analyses. This research also focuses on the design and implementation of scalable, GPU-accelerated software pipelines that seamlessly integrate into existing HPC workflows, ensuring both computational efficiency and practical applicability. The CAESAR framework, for example, unifies foundation and generative models to create an adaptive and efficient compression solution for spatio-temporal scientific data. Collectively, these efforts represent a significant advancement in mitigating the scientific data deluge, enabling more effective data management, accelerated scientific discovery, and optimized utilization of HPC resources.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Final report- UFL - RAPIDS2: A SciDAC Institute for Computer Science, Data, and Artificial Intelligence

The research initiatives supported by the U.S. Department of Energy (DOE) Grant DE-SC0022265 are fundamentally aimed at pioneering advanced machine learning (ML) techniques for scientific data compression within high-performance computing (HPC) environments. This comprehensive body of work addresses the critical challenge posed by the exponential growth of data generated by scientific simulations in domains such as fusion energy, climate modeling, and computational fluid dynamics (CFD). A core objective is to develop compression algorithms that achieve substantial data reduction—often by orders of magnitude—while rigorously ensuring the fidelity of both the primary data (PD) and scientifically crucial derived quantities of interest (QoI). The methodologies deployed under this grant integrate sophisticated deep learning architectures, prominently featuring autoencoders, advanced generative models like conditional diffusion, and hybrid learning techniques. Key innovations include the development of Guaranteed Autoencoders (GAE) and the Guaranteed Conditional Diffusion with Tensor Correction (GCDTC) framework, which provide explicit, instance-level error bounds on reconstructed data. Furthermore, specialized strategies such as nonlinear constraint satisfaction are employed to preserve the integrity of QoI, a vital requirement for the trustworthiness of downstream scientific analyses. This research also focuses on the design and implementation of scalable, GPU-accelerated software pipelines that seamlessly integrate into existing HPC workflows, ensuring both computational efficiency and practical applicability. The CAESAR framework, for example, unifies foundation and generative models to create an adaptive and efficient compression solution for spatio-temporal scientific data. Collectively, these efforts represent a significant advancement in mitigating the scientific data deluge, enabling more effective data management, accelerated scientific discovery, and optimized utilization of HPC resources.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Direct simulation Monte Carlo investigation of the Rayleigh-Taylor instability

In this paper, the Rayleigh-Taylor instability (RTI) is investigated using the direct simulation Monte Carlo (DSMC) method of molecular gas dynamics. Here, fully resolved two-dimensional DSMC RTI simulations are performed to quantify the growth of flat and single-mode perturbed interfaces between two atmospheric-pressure monatomic gases as a function of the Atwood number and the gravitational acceleration. The DSMC simulations reproduce many qualitative features of the growth of the mixing layer and are in reasonable quantitative agreement with theoretical and empirical models in the linear, nonlinear, and self-similar regimes. In some of the simulations at late times, the instability enters the self-similar regime, in agreement with experimental observations. Finally, for the conditions simulated, diffusion can influence the initial instability growth significantly.

42 ENGINEERING↗
DOE OSTI2020

High speed PLIF study of the Richtmyer–Meshkov instability upon re-shock

The Richtmyer–Meshkov instability (RMI) of a twice-shocked gas interface is researched using high-speed planar-laser induced fluorescence (PLIF) in the Wisconsin Shock Tube Laboratory’s vertical shock tube. The initial condition (IC) is a shear layer with broadband diffuse perturbations at the interface between a helium-acetone mixture and argon. This IC is accelerated by a shock of nominal strength M = 1.8, and then accelerated again by the transmitted shock that reflects off the end wall of the tube. An estimate of the light gas mole fraction is extracted from high-speed imaging using an iterative process that accounts for the nonlinear temperature dependence of the acetone’s fluorescence quantum yield (FQY) and absorption cross-section. A vorticity deposition model for the initial growth rate after reshock is compared with the Mikaelian model for re-shock. Previously used in literature, the number of generations is shown to naturally arise from a normalisation of the scalar transport equation. A self-similar analysis is then further performed using the mole fraction data to explore the evolution of the RMI after reshock and the higher order moments of the light gas mole fraction are compared with a proposed model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Relativistic non-thermal particle acceleration in two-dimensional collisionless magnetic reconnection

Magnetic reconnection, especially in the relativistic regime, provides an efficient mechanism for accelerating relativistic particles and thus offers an attractive physical explanation for non-thermal high-energy emission from various astrophysical sources. I present a simple analytical model that elucidates key physical processes responsible for reconnection-driven relativistic non-thermal particle acceleration in the large-system, plasmoid-dominated regime in two dimensions. The model aims to explain the numerically observed dependencies of the power-law index $p$ and high-energy cutoff $\gamma _c$ of the resulting non-thermal particle energy spectrum $f(\gamma )$ on the ambient plasma magnetization $\sigma$ , and (for $\gamma _c$ ) on the system size $L$ . In this self-similar model, energetic particles are continuously accelerated by the out-of-plane reconnection electric field $E_{\rm rec}$ until they become magnetized by the reconnected magnetic field and eventually trapped in plasmoids large enough to confine them. The model also includes diffusive Fermi acceleration by particle bouncing off rapidly moving plasmoids. I argue that the balance between electric acceleration and magnetization controls the power-law index, while trapping in plasmoids governs the cutoff, thus tying the particle energy spectrum to the plasmoid distribution.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Prospect of Thermal Shock Induced Healing of Lithium Dendrite

Dendritic growth plagues the development of rechargeable lithium metal anodes. Recently, it has been reported that self-heating of the cell provides a mitigation strategy for suppressing dendrites. In order to study this phenomenon, we extend our recently developed nonlinear phase-field model to incorporate an energy balance equation allowing a full thermally coupled electrodeposition model using the open-source software package MOOSE. In this study, we consider the interplay between ionic transport and electrochemical reaction rate as a function of temperature and explore the possibility of using thermal shock induced dendrite suppression. We discover that, depending on the electrochemical reaction barrier and ionic diffusion barrier, self-heating could accelerate (larger reaction barrier) or decelerate (larger diffusion barrier) dendrite formation. Given that the electrolyte constituents can be used to tune both barriers, this study could provide an important avenue to exploit the self-heating effect favorably through electrolyte engineering.

25 ENERGY STORAGE↗
DOE OSTI2017

Two species drag/diffusion model for energetic particle driven modes

A nonlinear bump-on-tail model for the growth and saturation of energetic particle driven plasma waves has been extended to include two populations of fast particles—one dominated by dynamical friction at the resonance and the other by velocity space diffusion. The resulting temporal evolution of the wave amplitude and frequency depends on the relative weight of the two populations. The two species model is applied to burning plasma with drag-dominated alpha particles and diffusion-dominated ICRH accelerated minority ions, showing the stabilization of bursting modes. Further, the model also suggests an explanation for the recent observations on the TJ-II stellarator, where Alfvén Eigenmodes transition between steady state and bursting as the magnetic configuration varied.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Two species drag/diffusion model for energetic particle driven modes

A nonlinear bump-on-tail model for the growth and saturation of energetic particle driven plasma waves has been extended to include two populations of fast particles—one dominated by dynamical friction at the resonance and the other by velocity space diffusion. The resulting temporal evolution of the wave amplitude and frequency depends on the relative weight of the two populations. The two species model is applied to burning plasma with drag-dominated alpha particles and diffusion-dominated ICRH accelerated minority ions, showing the stabilization of bursting modes. The model also suggests an explanation for the recent observations on the TJ-II stellarator, where Alfv'en Eigenmodes transition between steady state and bursting as the magnetic configuration varied.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗