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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 505 records · Page 28

CoSyR: A novel beam dynamics code for the modeling of synchrotron radiation effects

The self-consistent nonlinear dynamics of a relativistic charged particle beam interacting with its complete self-fields is a fundamental problem underpinning many of the accelerator design issues in high brightness beam applications, as well as the development of advanced accelerators. Particularly, synchrotron radiation induced effects in a magnetic dispersive beamline element can lead to collective beam instabilities and emittance growth. A novel beam dynamics code is developed based on a Lagrangian method for the calculation of the particles’ radiation near-fields using wavefront/wavelet meshes via the Green’s function of the Maxwell equations. These fields are then interpolated onto a moving mesh for dynamic update of the beam. This method allows radiation co-propagation and self-consistent interaction with the beam in 2D/3D simulations at greatly reduced numerical errors. Multiple levels of parallelisms are inherent in this method and implemented in our code CoSyR to enable at-scale simulations of nonlinear beam dynamics on modern computing platforms using MPI, multi-threading, and GPUs. Here, the current 2D implementation of CoSyR has been used to evaluate the transverse and longitudinal coherent radiation effects on the beam and to investigate beam optics designs proposed for mitigation of beam brightness degradation in a magnetic bunch compressor. In this paper, the design of CoSyR, as well as the benchmark with other coherent synchrotron radiation models, are described and discussed. Extension of the core algorithms to 3D is possible and planned.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Automatic Data Distribution for CFD Applications on Structured Grids

Development of HPF versions of NPB and ARC3D showed that HPF has potential to be a high level language for parallelization of CFD applications. The use of HPF requires an intimate knowledge of the applications and a detailed analysis of data affinity, data movement and data granularity. Since HPF hides data movement from the user even with this knowledge it is easy to overlook pieces of the code causing low performance of the application. In order to simplify and accelerate the task of developing HPF versions of existing CFD applications we have designed and partially implemented ADAPT (Automatic Data Distribution and Placement Tool). The ADAPT analyzes a CFD application working on a single structured grid and generates HPF TEMPLATE, (RE)DISTRIBUTION, ALIGNMENT and INDEPENDENT directives. The directives can be generated on the nest level, subroutine level, application level or inter application level. ADAPT is designed to annotate existing CFD FORTRAN application performing computations on single or multiple grids. On each grid the application can considered as a sequence of operators each applied to a set of variables defined in a particular grid domain. The operators can be classified as implicit, having data dependences, and explicit, without data dependences. In order to parallelize an explicit operator it is sufficient to create a template for the domain of the operator, align arrays used in the operator with the template, distribute the template, and declare the loops over the distributed dimensions as INDEPENDENT. In order to parallelize an implicit operator, the distribution of the operator's domain should be consistent with the operator's dependences. Any dependence between sections distributed on different processors would preclude parallelization if compiler does not have an ability to pipeline computations. If a data distribution is "orthogonal" to the dependences of an implicit operator then the loop which implements the operator can be declared as INDEPENDENT.

Frumkin, Michael↗

Accelerated complete-linearization method for calculating NLTE model stellar atmospheres

Two approaches to accelerating the method of complete linearization for calculating NLTE model stellar atmospheres are suggested. The first one, the so-called Kantorovich variant of the Newton-Raphson method, consists of keeping the Jacobi matrix of the system fixed, which allows us to calculate the costly matrix inversions only a few times and then keep them fixed during the subsequent computations. The second method is an application of the Ng acceleration. Both methods are extremely easy to implement with any model atmosphere code based on complete linearization. It is demonstrated that both methods, and especially their combination, yield a rapidly and globally convergent algorithm, which takes 2 to 5 times less computer time, depending on the model at hand and the required accuracy, than the ordinary complete linearization. Generally, the time gain is more significant for more complicated models. The methods were tested for a broad range of atmospheric parameters, and in all cases they exhibited similar behavior. Ng acceleration applied on the Kantorovich variant thus offers a significant improvement of the standard complete-linearization method, and may now be used for calculating relatively involved NLTE model stellar atmospheres.

Hubeny, I.↗

Measuring Gravitation Using Polarization Spectroscopy

A proposed method of measuring gravitational acceleration would involve the application of polarization spectroscopy to an ultracold, vertically moving cloud of atoms (an atomic fountain). A related proposed method involving measurements of absorption of light pulses like those used in conventional atomic interferometry would yield an estimate of the number of atoms participating in the interferometric interaction. The basis of the first-mentioned proposed method is that the rotation of polarization of light is affected by the acceleration of atoms along the path of propagation of the light. The rotation of polarization is associated with a phase shift: When an atom moving in a laboratory reference interacts with an electromagnetic wave, the energy levels of the atom are Doppler-shifted, relative to where they would be if the atom were stationary. The Doppler shift gives rise to changes in the detuning of the light from the corresponding atomic transitions. This detuning, in turn, causes the electromagnetic wave to undergo a phase shift that can be measured by conventional means. One would infer the gravitational acceleration and/or the gradient of the gravitational acceleration from the phase measurements.

Matsko, Andrey↗

Extending GPU-accelerated Gaussian integrals in the TeraChem software package to f type orbitals: Implementation and applications

Here, the increasing availability of graphics processing units (GPUs) for scientific computing has prompted interest in accelerating quantum chemical calculations through their use. However, the complexity of integral kernels for high angular momentum basis functions often limits the utility of GPU implementations with large basis sets or for metal containing systems. In this work, we report the implementation of f function support in the GPU-accelerated TeraChem software package through the development of efficient kernels for the evaluation of Hamiltonian integrals. The high efficiency of the resulting code is demonstrated through density functional theory (DFT) calculations on increasingly large organic molecules and transition metal complexes, as well as coupled cluster singles and doubles calculations on water clusters. Preliminary investigations into Ni(I) catalysis with DFT and the photochemistry of MnH(CH 3 ) with complete active space self-consistent field are also carried out. Overall, our GPU-accelerated software appears to be well-suited for fast simulation of large transition metal containing systems, as well as organic molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Simulations of plasmas and fluids using anti-symmetric models

ALMA (Anti-symmetric, Large-Moment, Accelerated) is a fast, flexible, and scalable toolkit designed to solve hyperbolic conservation law systems in hybrid supercomputers. Here this manuscript describes the theoretical background and implementation of ALMA, which uses the anti-symmetric formulation of fluids to obtain simple, robust, and easily paralellizable code. Practical GPU acceleration is realized on entire applications with an overall gain factor of 2 to 4. ALMA also provides a parallel, GPU accelerated sparse solver based on geometric multigrid, capable of diagonalizing linear systems with 239 unknowns. Here we demonstrate ALMA's scaling and performance in petascale supercomputers and use standard fluid models to verify the overall approach with canonical benchmark problems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

The LeRC rail accelerators: Test designs and diagnostic techniques

The feasibility of using rail accelerators for various in-space and to-space propulsion applications was investigated. A 1 meter, 24 sq mm bore accelerator was designed with the goal of demonstrating projectile velocities of 15 km/sec using a peak current of 200 kA. A second rail accelerator, 1 meter long with a 156.25 sq mm bore, was designed with clear polycarbonate sidewalls to permit visual observation of the plasma arc. A study of available diagnostic techniques and their application to the rail accelerator is presented. Specific topics of discussion include the use of interferometry and spectroscopy to examine the plasma armature as well as the use of optical sensors to measure rail displacement during acceleration. Standard diagnostics such as current and voltage measurements are also discussed.

Zana, L. M.↗

LeRC rail accelerators - Test designs and diagnostic techniques

The feasibility of using rail accelerators for various in-space and to-space propulsion applications was investigated. A 1 meter, 24 sq mm bore accelerator was designed with the goal of demonstrating projectile velocities of 15 km/sec using a peak current of 200 kA. A second rail accelerator, 1 meter long with a 156.25 sq mm bore, was designed with clear polycarbonate sidewalls to permit visual observation of the plasma arc. A study of available diagnostic techniques and their application to the rail accelerator is presented. Specific topics of discussion include the use of interferometry and spectroscopy to examine the plasma armature as well as the use of optical sensors to measure rail displacement during acceleration. Standard diagnostics such as current and voltage measurements are also discussed. Previously announced in STAR as N83-35053

Zana, L. M.↗

Modeling of Particle Acceleration at Multiple Shocks via Diffusive Shock Acceleration: Preliminary Results

Successful forecasting of energetic particle events in space weather models require algorithms for correctly predicting the spectrum of ions accelerated from a background population of charged particles. We present preliminary results from a model that diffusively accelerates particles at multiple shocks. Our basic approach is related to box models in which a distribution of particles is diffusively accelerated inside the box while simultaneously experiencing decompression through adiabatic expansion and losses from the convection and diffusion of particles outside the box. We adiabatically decompress the accelerated particle distribution between each shock by either the method explored in Melrose and Pope (1993) and Pope and Melrose (1994) or by the approach set forth in Zank et al. (2000) where we solve the transport equation by a method analogous to operator splitting. The second method incorporates the additional loss terms of convection and diffusion and allows for the use of a variable time between shocks. We use a maximum injection energy (E(sub max)) appropriate for quasi-parallel and quasi-perpendicular shocks and provide a preliminary application of the diffusive acceleration of particles by multiple shocks with frequencies appropriate for solar maximum (i.e., a non-Markovian process).

Parker, L. Neergaard↗

Flying focus with arbitrary directionality for spatiotemporal control of laser intensity

Flying focus techniques produce laser pulses whose focal points travel at arbitrary, controllable velocities. While this flexibility can enhance a broad range of laser-based applications, existing techniques constrain the motion of the focal point to the propagation direction of the pulse. Here, we introduce a flying focus configuration that decouples the motion of the focus from the propagation direction. Here, a chirped laser pulse focused and diffracted by a diffractive lens and grating creates a focal point that can move both along and transverse to the propagation direction. The focal length of the lens, grating period, and chirp can be tuned to control the direction and velocity of the focus. Simulations demonstrate this control for a holographic configuration suited to high-power pulses, in which two off-axis pump beams with different focal lengths encode the equivalent phase of a chromatic lens and grating in a gas or plasma. For low-power pulses, conventional solid-state or adaptive optics can be used instead. Multi-dimensional control over the focal trajectory enables new configurations for applications, including laser wakefield acceleration of ions, nonlinear Thomson scattering, and surface-plasmon emission of THz radiation.

Classical optics↗

Modeling of Particle Acceleration at Multiple Shocks Via Diffusive Shock Acceleration: Preliminary Results

We present preliminary results from a model that diffusively accelerates particles at multiple shocks. Our basic approach is related to box models (Protheroe and Stanev, 1998; Moraal and Axford, 1983; Ball and Kirk, 1992; Drury et al., 1999) in which a distribution of particles is diffusively accelerated inside the box while simultaneously experiencing decompression through adiabatic expansion and losses from the convection and diffusion of particles outside the box (Melrose and Pope, 1993; Zank et al., 2000). We adiabatically decompress the accelerated particle distribution between each shock by either the method explored in Melrose and Pope (1993) and Pope and Melrose (1994) or by the approach set forth in Zank et al. (2000) where we solve the transport equation by a method analogous to operator splitting. The second method incorporates the additional loss terms of convection and diffusion and allows for the use of a variable time between shocks. We use a maximum injection energy (Emax) appropriate for quasi-parallel and quasi-perpendicular shocks (Zank et al., 2000, 2006; Dosch and Shalchi, 2010) and provide a preliminary application of the diffusive acceleration of particles by multiple shocks with frequencies appropriate for solar maximum (i.e., a non-Markovian process).

Parker, Linda Neergaard↗

From Atoms to Wheels: The Role of Multi-Scale Modeling in the Future of Transportation Electrification

Traditionally, prototype hardware is built for validation testing to ensure battery systems design changes meet vehicle-level requirements, which is expensive both in cost and time. Virtual engineering (VE) of battery systems for electric vehicle (EV) propulsion offers a reduced-cost alternative to the traditional development process and uses multi-scale modeling to virtually probe the impact of design changes in a particular part on the overall performance of the system. This allows for rapid iteration over multiple design spaces, without committing to build hardware. This perspective article discusses current trends in VE for EV applications and proposes improvements to accelerate EV adoption.

Garrick, Taylor R. (ORCID:0000000322518129)↗

Application of electron beam technology to decompose persistent emerging drinking water contaminants: poly- and perfluoroalkyl substances (PFAS) and 1,4 dioxane.

Fermi Research Alliance, LLC (FRA) operates Fermilab under contract with the U.S. Department of Energy and has patents on technologies and applications of a novel mobile electron beam accelerator. A high-power version of this mobile accelerator based on FRA-developed SRF technology is under development at Illinois Accelerator Research Center (IARC) and can enable several new applications that have significant commercial potential. One such application is the e-beam treatment of persistent emerging contaminants in drinking water. The contaminants of concern are poly- and perfluoroalklyl substances (PFAS) and 1,4-dioxine. Both PFAS and 1,4-D are highly resistant to degradation and are not effectively removed by conventional drinking water treatment systems. Existing technologies, such as granular activated carbon (GAC) filters and reverse osmosis (RO) systems do not decompose. The Center for Clean Water Technology (CCWT) at Stony Brook University (SBU) is in the process of identifying and testing effective technologies to remove PFAS and/or 1,4-D from drinking waters. se PFAS, but rather concentrate them either by adsorption (GAC) or membrane rejection (RO). The Center for Clean Water Technology (CCWT) at Stony Brook University (SBU) is in the process of identifying and testing effective technologies to remove PFAS and/or 1,4-D from drinking waters to demonstrate the full-scale application of novel water treatment technologies and is experienced in conducting research to understand treatment performance with a particular focus on 1,4-D and PFAS contamination.

43 PARTICLE ACCELERATORS↗

Application of laser-driven capacitor-coil to target normal sheath acceleration

A laser-driven accelerator generates protons with tens of MeV in energy by a compact, strong, and transient accelerating electric field produced as a result of laser–plasma interactions at relativistic intensities. In previous studies, two- and three-dimensional particle-in-cell simulations revealed that the application of a kT-level axial magnetic field results in an enhancement of proton acceleration via the target normal sheath acceleration mechanism due to reduced lateral electron divergence and improved electron heating efficiency. An experimental investigation of this scheme on the GEKKO-XII and the LFEX facilities found that the number and maximum energy of the accelerated protons decreased with increasing the temporal delay between the pulse driving the external magnetic-field and the pulse accelerating the protons, contrary to the theoretical and numerical expectations. Finally, we identify sources responsible for the degradation of the proton beam performance and we propose an alternative experimental setup to mitigate the degradation in future experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Electron lenses: historical overview and outlook

The first electron lenses — understood as "lenses made of electrons" rather than "lenses to focus electrons" — were envisioned in the mid-1990s and built in the early 2000s for compensation of beam-beam effects in the Tevatron proton-antiproton collider. Since then, the lenses — a novel instrument for high-energy particle accelerators — have been added to the toolbox of modern beam facilities, being particularly useful for the energy frontier superconducting hadron colliders ("supercolliders"). In this article we briefly present the history of ideas and developments toward effective use of low-energy high-current bright electron beams in high energy accelerators and discuss the promise of their future applications.

43 PARTICLE ACCELERATORS↗

Electrically Accelerated Mechanochemical Film Formation by a Phosphonium Phosphate Ionic Liquid: An In Situ Chemical Kinetics Investigation

Powertrains in electric vehicles are exposed to stray currents that accelerate wear and cause failure of mechanical components. These durability issues are further aggravated when using low-viscosity lubricants, which are desired for energy efficiency but create harsher contact conditions at sliding interfaces. This study investigates a phosphonium phosphate ionic liquid as a performance-enhancing additive in a low-viscosity base oil for lubricating electrified sliding interfaces. Ionic liquids can adsorb and react on contact interfaces via stress-assisted chemical reactions, generating nanometric tribofilms that provide protection against wear. However, the effect of electric fields on the mechanochemistry of ionic liquids is poorly understood, hindering their adoption in lubricants for electrified powertrains. This article reports an in situ optical interferometry study of ionic liquid derived tribofilm growth kinetics at stressed sliding/rolling interfaces under direct currents. The application of electric currents accelerated tribofilm formation up to a critical current density (∼1.4 A/mm 2 ), beyond which pitting-induced wear dominated. The tribofilms were composed of iron phosphates, iron oxides, and carbon species, with iron oxides becoming predominant under applied currents. These tribofilms prevented the scuffing failure of steel surfaces under electrified conditions. Based on the results, a kinetic model is proposed that integrates electric current effect into the classical stress-assisted thermal activation framework to allow prediction of tribofilm growth at electrified sliding contacts. This framework provides crucial guidance for designing next-generation lubricants for electrified transportation and power generation systems.

additives↗

Advanced Turbulence Models for Large-Scale Atmospheric Boundary Layer Flows

We present high-fidelity large-eddy-simulation (LES) modeling approaches for the turbulent atmospheric boundary layer (ABL) flows. Wind energy is a prime example of an application driven by ABL. Generation of electrical energy from farms of wind turbines at night in the stable ABL is a particularly interesting situation. In this report, we consider the well-known GEWEX (Global Energy and Water Cycle Experiment) Atmospheric Boundary Layer Study (GABLS) stably stratified benchmark LES case. We use a high-order spectral element code Nek5000/RS, which is supported under the DOE's Exascale Computing Project (ECP) Center for Efficient Exascale Discretizations (CEED) project, targeting application simulations on various acceleration-device based exascale computing platforms. In our earlier ANL report, we demonstrated our newly developed subgrid-scale (SGS) models based on high-pass filter (HPF), mean-field eddy viscosity (MFEV), and Smagorinsky (SMG) with no-slip and traction boundary conditions, provided with low-order statistics, convergence and turbulent structure analysis. In this report, we extend the range of our SGS modeling approaches in the context of the mean-field eddy viscosity (MFEV), to include the solution of an SGS turbulent kinetic energy equation (TKE). We demonstrate the model fidelity of Nek5000/RS in comparison to that of AMR-Wind, a block-structured second-order finite-volume code with adaptive-mesh-refinement capabilities, with which we studied scaling performance for both codes in comparison on DOE's leadership computing platforms.

17 WIND ENERGY↗