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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 1,117 records · Page 62
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Remapping HELENA to incompressible plasma rotation parallel to the magnetic field

Plasma rotation in connection to both zonal and mean (equilibrium) flows can play a role in the transitions to the advanced confinement regimes in tokamaks, as the L-H transition and the formation of internal transport barriers (ITBs). For incompressible rotation, the equilibrium is governed by a generalised Grad-Shafranov (GGS) equation and a decoupled Bernoulli-type equation for the pressure. For parallel flow, the GGS equation can be transformed to one identical in form with the usual Grad-Shafranov equation. In the present study on the basis of the latter equation, we have extended HELENA, an equilibrium fixed boundary solver. The extended code solves the GGS equation for a variety of the two free-surface-function terms involved for arbitrary Alfvén Mach number and density functions. We have constructed diverted-boundary equilibria pertinent to ITER and examined their characteristics, in particular, as concerns the impact of rotation on certain equilibrium quantities. It turns out that the rotation and its shear affect noticeably the pressure and toroidal current density with the impact on the current density being stronger in the parallel direction than in the toroidal one.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Accurate reaction-diffusion operator splitting on tetrahedral meshes for parallel stochastic molecular simulations

Spatial stochastic molecular simulations in biology are limited by the intense computation required to track molecules in space either in a discrete time or discrete space framework, which has led to the development of parallel methods that can take advantage of the power of modern supercomputers in recent years. We systematically test suggested components of stochastic reaction-diffusion operator splitting in the literature and discuss their effects on accuracy. We introduce an operator splitting implementation for irregular meshes that enhances accuracy with minimal performance cost. We test a range of models in small-scale MPI simulations from simple diffusion models to realistic biological models and find that multi-dimensional geometry partitioning is an important consideration for optimum performance. We demonstrate performance gains of 1-3 orders of magnitude in the parallel implementation, with peak performance strongly dependent on model specification.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

An O ( N ) and parallel approach to integral problems by a kernel-independent fast multipole method: Application to polarization and magnetization of interacting particles

Large classes of materials systems in physics and engineering are governed by magnetic and electrostatic interactions. Continuum or mesoscale descriptions of such systems can be cast in terms of integral equations, whose direct computational evaluation requires O ( N 2 ) operations, where N is the number of unknowns. Such a scaling, which arises from the many-body nature of the relevant Green's function, has precluded wide-spread adoption of integral methods for solution of large-scale scientific and engineering problems. In this work, a parallel computational approach is presented that relies on using scalable open source libraries and utilizes a kernel-independent Fast Multipole Method (FMM) to evaluate the integrals in O ( N ) operations, with O ( N ) memory cost, thereby substantially improving the scalability and efficiency of computational integral methods. We demonstrate the accuracy, efficiency, and scalability of our approach in the context of two examples. In the first, we solve a boundary value problem for a ferroelectric/ferromagnetic volume in free space. In the second, we solve an electrostatic problem involving polarizable dielectric bodies in an unbounded dielectric medium. Lastly, the results from these test cases show that our proposed parallel approach, which is built on a kernel-independent FMM, can enable highly efficient and accurate simulations and allow for considerable flexibility in a broad range of applications.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Two-stage bulk electron heating in the diffusion region of anti-parallel symmetric reconnection

Electron bulk energization in the diffusion region during anti-parallel symmetric reconnection entails two stages. First, the inflowing electrons are adiabatically trapped and energized by an ambipolar parallel electric field. Next, the electrons gain energy from the reconnection electric field as they undergo meandering motion. These collisionless mechanisms have been described previously, and they lead to highly structured electron velocity distributions. Furthermore, a simplified control-volume analysis gives estimates for how the net effective heating scales with the upstream plasma conditions in agreement with fully kinetic simulations and spacecraft observations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Variational principle for the parallel-symplectic representation of electromagnetic gyrokinetic theory

The nonlinear (full-f) electromagnetic gyrokinetic Vlasov-Maxwell equations are derived in the parallel-symplectic representation from an Eulerian gyrokinetic variational principle. The gyrokinetic Vlasov-Maxwell equations are shown to possess an exact energy conservation law, which is derived by the Noether method from the gyrokinetic variational principle. Here, the gyrocenter Poisson bracket and the gyrocenter Jacobian contain contributions from the perturbed magnetic field. Lastly, in the full-f formulation of the gyrokinetic Vlasov-Maxwell theory presented here, the gyrocenter parallel-Ampere equation contains a second-order contribution to the gyrocenter current density that is derived from the second-order gyrocenter ponderomotive Hamiltonian.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Parallel replica dynamics method for bistable stochastic reaction networks: Simulation and sensitivity analysis

Stochastic reaction networks that exhibit bistable behavior are common in systems biology, materials science, and catalysis. Sampling of stationary distributions is crucial for understanding and characterizing the long-time dynamics of bistable stochastic dynamical systems. However, simulations are often hindered by the insufficient sampling of rare transitions between the two metastable regions. In this paper, we apply the parallel replica method for a continuous time Markov chain in order to improve sampling of the stationary distribution in bistable stochastic reaction networks. The proposed method uses parallel computing to accelerate the sampling of rare transitions. Furthermore, it can be combined with the path-space information bounds for parametric sensitivity analysis. With the proposed methodology, we study three bistable biological networks: the Schlögl model, the genetic switch network, and the enzymatic futile cycle network. We demonstrate the algorithmic speedup achieved in these numerical benchmarks. More significant acceleration is expected when multi-core or graphics processing unit computer architectures and programming tools such as CUDA are employed

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Simultaneous measurements of turbulent Reynolds stresses and particle flux in both parallel and perpendicular directions in a linear magnetized plasma device

We report temporally resolved simultaneous measurements of the turbulent Reynolds stresses in both the parallel and perpendicular directions and the corresponding particle fluxes in the fusion relevant cylindrical magnetized plasma device Controlled Shear Decorrelation eXperiment (CSDX). CSDX simulates the plasma conditions of multiple plasma instabilities that can arise in the scrape-off layer of fusion devices. In this study, we designed and used a 6-tip Langmuir probe in a novel yet simple design to simultaneously measure all the three dimensional components (radial, azimuthal, and axial) of fluctuations in velocity from the floating potentials and plasma densities with high temporal resolution. From these, we calculated the parallel and perpendicular Reynolds stress and the particle fluxes in addition to the density and potential spectra and the cross phase between different quantities. We can obtain radial profiles of all the aforementioned plasma quantities, which are extremely useful for studying plasma turbulence due to multiple instabilities. We have also cross-checked the time averaged velocity profiles from the probe with laser induced fluorescence measurements of the mean plasma velocity for some common plasma source parameters.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

GronOR: Massively Parallel and GPU-Accelerated Non-Orthogonal Configuration Interaction for Large Molecular Systems

GronOR is a program package for non-orthogonal configuration interaction calculations for an electronic wave function built in terms of anti-symmetrized products of multi-configuration molecular fragment wave functions. The two-electron integrals that have to be processed may be expressed in terms of atomic orbitals or in terms of an orbital basis determined from the molecular orbitals of the fragments. The code has been specifically designed for execution on distributed memory massively parallel and Graphics Processing Unit (GPU)-accelerated computer architectures, using an MPI+OpenACC/OpenMP programming approach. The task-based execution model used in the implementation allows for linear scaling with the number of nodes on the largest pre-exascale architectures available, provides hardware fault resiliency, and enables effective execution on systems with distinct central processing unit-only and GPU-accelerated partitions. The code interfaces with existing multi-configuration electronic structure codes that provide optimized molecular fragment orbitals, configuration interaction coefficients, and the required integrals. Algorithm and implementation details, parallel and accelerated performance benchmarks, and an analysis of the sensitivity of the accuracy of results and computational performance to thresholds used in the calculations are presented.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Massively Parallel Quantum Chemistry: A high-performance research platform for electronic structure

The Massively Parallel Quantum Chemistry (MPQC) program is a 30-year-old project that enables facile development of electronic structure methods for molecules for efficient deployment to massively parallel computing architectures. Here, we describe the historical evolution of MPQC’s design into its latest (fourth) version, the capabilities and modular architecture of today’s MPQC, and how MPQC facilitates rapid composition of new methods as well as its state-of-the-art performance on a variety of commodity and high-end distributed-memory computer platforms.

Peng, Chong↗
DOE OSTI2020

Parallel high-frequency magnetic sensing with an array of flux transformers and multi-channel optically pumped magnetometer for hand MRI application

Here, we investigate an approach for parallel high-frequency magnetic sensing based on a multi-channel radio frequency (RF) optically pumped magnetometer (OPM) coupled to multiple flux transformers (FTs) with a focus on hand magnetic resonance imaging (MRI) application at ultra-low field (ULF). Multiple RF OPM sensing channels are realized by using a single large-area alkali-metal vapor cell and two laser beams for pumping and probing, shared for all the channels. This design leads to significant cost reduction when multi-channel sensing is desirable, as in the case of ULF MRI. The FT, composed of two connected coils, serves as a transmitter of a target magnetic field to the OPM, while decoupling the OPM from untargeted magnetic fields in the sensing area that can limit the OPM performance. For hand MRI application, theoretical and numerical analysis is performed to determine an optimal geometry for the FT array that could improve signal-to-noise ratio (SNR) and sufficiently reduce crosstalk between FTs. We estimate that the optimized multi-channel FT-OPM sensor can achieve a magnetic field sensitivity of the order of 1 fT / Hz 1 / 2 above 100 kHz, which would be sufficient for 1 mm resolution MRI. In general, the multi-channel capability enables simultaneous magnetic measurements, thus reducing the sensing time and improving the SNR, and we anticipate many applications of the multi-channel FT-OPM sensor beyond the targeted here hand MRI: anatomical parallel ULF MRI of the human brain and other parts of the body, airport security screening, magnetic material imaging, and many others.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Structured illumination with thermal imaging (SI-TI): A dynamically reconfigurable metrology for parallelized thermal transport characterization

The recent push for the “materials by design” paradigm requires synergistic integration of scalable computation, synthesis, and characterization. Among these, techniques for efficient measurement of thermal transport can be a bottleneck limiting the experimental database size, especially for diverse materials with a range of roughness, porosity, and anisotropy. Traditional contact thermal measurements have challenges with throughput and the lack of spatially resolvable property mapping, while non-contact pump-probe laser methods generally need mirror smooth sample surfaces and also require serial raster scanning to achieve property mapping. Here, we present structured illumination with thermal imaging (SI-TI), a new thermal characterization tool based on parallelized all-optical heating and thermometry. Experiments on representative dense and porous bulk materials as well as a 3D printed thermoelectric thick film (~50 μm) demonstrate that SI-TI (1) enables paralleled measurement of multiple regions and samples without raster scanning; (2) can dynamically adjust the heating pattern purely in software, to optimize the measurement sensitivity in different directions for anisotropic materials; and (3) can tolerate rough (~3 μm) and scratched sample surfaces. Here, this work highlights a new avenue in adaptivity and throughput for thermal characterization of diverse materials.

42 ENGINEERING↗
DOE OSTI2024

On parallel laser beam merger in plasmas

Self-focusing instability is a well-known phenomenon of nonlinear optics, which is of great importance in the field of laser–plasma interactions. Self-focusing instability leads to beam focusing and, consequently, breakup into multiple laser filaments. The majority of applications tend to avoid a laser filamentation regime due to its detrimental role on laser spot profile and peak intensity. In our work, using nonlinear Schrödinger equation solver and particle-in-cell simulations, we address the problem of interaction of multiple parallel beams in plasmas. We consider both non-relativistic and moderately relativistic regimes and demonstrate how the physics of parallel beam interaction transitions from the familiar self- and mutual-focusing instabilities in the non-relativistic regime to a moderately relativistic regime, where an analytical description of filament interaction is not available.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Kelvin–Helmholtz instability under stabilizing parallel magnetic field in nonhomogeneous compressible MHD flows

We study the Kelvin–Helmholtz instability (KHI) for the general case of a compressible, nonhomogeneous, magnetized plasma flow. The study is limited to a vortex sheet interface with an imposed parallel magnetic field. We introduce a new formalism based on a convective Mach number M c , a convective Alfvénic Mach number M Ac , and a total convective Mach number that combines the two. We derive an analytic expression of the KHI growth rate for a homogeneous flow (i.e., zero Atwood number, A=0) that converges toward both the expression for unmagnetized compressible flow and Chandrasekhar's expression for magnetized incompressible flow. Otherwise, the dispersion relation is solved numerically and allows deriving general stability diagrams of magnetized KHI for the triplet (A, M c , β −plasma) parameters. We show these parameters uniquely define all configurations for a parallel magnetic field. We also construct diagrams with respect to the convective Alfvénic Mach number, the β − plasma parameter, or the magnetic field showing which magnetic field strength is required for stabilizing a given shear flow. The theoretical growth rates are compared with 18 simulations made with the GAMERA code, currently used for 3D magnetospheric simulations. Finally, we apply our results to the analysis of a past KHI experiment performed at the OMEGA laser facility, showing linear theory succeeds to provide accurate estimates of the growth rate at early times. We further discuss how our results can inform future experiments in the high-Mach magnetized regime at the National Ignition Facility. Possible limitations of the study due to resistive, mixing, or turbulence effects are discussed.

compressible flows↗
DOE OSTI2025

Semi-implicit continuum kinetic modeling of weakly collisional parallel transport in a magnetic mirror

We present implicit-explicit (IMEX) kinetic simulations of weakly collisional parallel plasma transport in magnetic mirror configurations using the continuum code COGENT. The numerical scheme employs a Jacobian-free Newton–Krylov method with algebraic multigrid preconditioning to overcome the severe time step limitations imposed by strong mirror forces in fully explicit schemes. Applied to parameters relevant to the Wisconsin HTS Axisymmetric Mirror experiment, the IMEX approach enables time steps up to 2.5×10 4 times larger than those permitted by explicit methods, resulting in a 2500× speedup in 1D–2V simulations of parallel transport with kinetic ions and Boltzmann electrons. Additionally, a reduced bounce-averaged model for a square mirror is implemented to support the computationally intensive fully kinetic simulations. The bounce-averaged formulation is used to evaluate the numerical convergence of the velocity-space discretization algorithms and to assess the role of the collision model by comparing simulations employing the nonlinear Fokker–Planck and the simplified Lenard–Bernstein–Dougherty collision operators.

Collision theories↗
DOE OSTI2020

Phasing of seven-channel fibre laser radiation with dynamic turbulent phase distortions using a stochastic parallel gradient algorithm at a bandwidth of 450 kHz

We have demonstrated an experimental setup for the coherent phasing of a seven-channel fibre laser system ( λ = 1064 nm) in a scheme comprising a master oscillator and a set of parallel amplifiers with lithium niobate-based fibre-optic phase modulators. Using a stochastic parallel gradient algorithm, an instrumental phase modulator control unit ensures a bandwidth of the system up to 450 kHz. The effectiveness of phasing of light transmitted through a turbulent medium with a characteristic time scale τ{sub turb} has been studied experimentally as a function of phasing time τ{sub ph}. The results demonstrate that the average Strehl ratio begins to rise at τ{sub turb}/τ{sub ph} ⩾ 2 and that the effectiveness of compensation for dynamic phase distortions in the beam propagation path rises sharply at τ{sub turb}/τ{sub ph} ≈ 20. For τ{sub turb}/τ{sub ph} ⩾ 30 – 40, the average Strehl ratio remains constant at the level reached. (control of laser radiation parameters)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

DISSIPATION OF PARALLEL AND OBLIQUE ALFVÉN-CYCLOTRON WAVES—IMPLICATIONS FOR HEATING OF ALPHA PARTICLES IN THE SOLAR WIND

We perform 2.5D hybrid simulations with massless fluid electrons and kinetic particle-in-cell ions to study the temporal evolution of ion temperatures, temperature anisotropies, and velocity distribution functions in relation to the dissipation and turbulent evolution of a broadband spectrum of parallel and obliquely propagating Alfvén-cyclotron waves. The purpose of this paper is to study the relative role of parallel versus oblique Alfvén-cyclotron waves in the observed heating and acceleration of alpha particles in the fast solar wind. We consider collisionless homogeneous multi-species plasma, consisting of isothermal electrons, isotropic protons, and a minor component of drifting α particles in a finite-β fast stream near the Earth. The kinetic ions are modeled by initially isotropic Maxwellian velocity distribution functions, which develop nonthermal features and temperature anisotropies when a broadband spectrum of low-frequency nonresonant, ω ≤ 0.34 Ω{sub p}, Alfvén-cyclotron waves is imposed at the beginning of the simulations. The initial plasma parameter values, such as ion density, temperatures, and relative drift speeds, are supplied by fast solar wind observations made by the Wind spacecraft at 1 AU. The imposed broadband wave spectra are left-hand polarized and resemble Wind measurements of Alfvénic turbulence in the solar wind. The imposed magnetic field fluctuations for all cases are within the inertial range of the solar wind turbulence and have a Kraichnan-type spectral slope α = −3/2. We vary the propagation angle from θ = 0° to θ = 30° and θ = 60°, and find that the heating of alpha particles is most efficient for the highly oblique waves propagating at 60°, whereas the protons exhibit perpendicular cooling at all propagation angles.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Are ultra-faint galaxies at z = 6–8 responsible for cosmic reionization? Combined constraints from the Hubble Frontier Fields clusters and parallels

We use deep Hubble Space Telescope imaging of the Frontier Fields to accurately measure the galaxy rest-frame ultraviolet luminosity function (UV LF) in the redshift range z ∼ 6–8. We combine observations in three lensing clusters, A2744, MACS 0416, and MACS 0717, and their associated parallel fields to select high-redshift dropout candidates. We use the latest lensing models to estimate the flux magnification and the effective survey volume in combination with completeness simulations performed in the source plane. We report the detection of 227 galaxy candidates at z = 6–7 and 25 candidates at z ∼ 8. While the total survey area is about 4 arcmin{sup 2} in each parallel field, it drops to about 0.6–1 arcmin{sup 2} in the cluster core fields because of the strong lensing. We compute the UV LF at z ∼ 7 using the combined galaxy sample and perform Monte Carlo simulations to determine the best-fit Schechter parameters. We are able to reliably constrain the LF down to an absolute magnitude of M{sub UV} = −15.25, which corresponds to 0.005 L{sup ⋆}. More importantly, we find that the faint-end slope remains steep down to this magnitude limit with α=−2.04{sub −0.17}{sup +0.13}. We find a characteristic magnitude of M{sup ⋆}=−20.89{sub −0.72}{sup +0.60} and log(ϕ{sup ⋆}) = −3.54{sub −0.45}{sup +0.48}. Our results confirm the most recent results in deep blank fields but extend the LF measurements more than two magnitudes deeper. The UV LF at z ∼ 8 is not very well constrained below M{sub UV} = −18 owing to the small number statistics and incompleteness uncertainties. To assess the contribution of galaxies to cosmic reionization, we derive the UV luminosity density at z ∼ 7 by integrating the UV LF down to an observational limit of M{sub UV} = −15. We show that our determination of log(ρ{sub UV}) = 26.2 ± 0.13 (erg s{sup −1} Hz{sup −1} Mpc{sup −3}) can be sufficient to maintain reionization with an escape fraction of ionizing radiation of f{sub esc} = 10%–15%. Future Hubble Frontier Fields observations will certainly improve the constraints on the UV LF at the epoch of reionization, paving the way to more ambitious programs using cosmic telescopes with the next generation of large aperture telescopes such as the James Webb Space Telescope and the European Extremely Large Telescope.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

CHOLLA: A NEW MASSIVELY PARALLEL HYDRODYNAMICS CODE FOR ASTROPHYSICAL SIMULATION

We present Computational Hydrodynamics On ParaLLel Architectures (Cholla ), a new three-dimensional hydrodynamics code that harnesses the power of graphics processing units (GPUs) to accelerate astrophysical simulations. Cholla models the Euler equations on a static mesh using state-of-the-art techniques, including the unsplit Corner Transport Upwind algorithm, a variety of exact and approximate Riemann solvers, and multiple spatial reconstruction techniques including the piecewise parabolic method (PPM). Using GPUs, Cholla evolves the fluid properties of thousands of cells simultaneously and can update over 10 million cells per GPU-second while using an exact Riemann solver and PPM reconstruction. Owing to the massively parallel architecture of GPUs and the design of the Cholla code, astrophysical simulations with physically interesting grid resolutions (≳256{sup 3}) can easily be computed on a single device. We use the Message Passing Interface library to extend calculations onto multiple devices and demonstrate nearly ideal scaling beyond 64 GPUs. A suite of test problems highlights the physical accuracy of our modeling and provides a useful comparison to other codes. We then use Cholla to simulate the interaction of a shock wave with a gas cloud in the interstellar medium, showing that the evolution of the cloud is highly dependent on its density structure. We reconcile the computed mixing time of a turbulent cloud with a realistic density distribution destroyed by a strong shock with the existing analytic theory for spherical cloud destruction by describing the system in terms of its median gas density.

79 ASTRONOMY AND ASTROPHYSICS↗