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DOE OSTI2020

Design and Performance of the Solid-State Laser Trigger System for HERMES III

The HERMES III accelerator is an 18-20 MeV linear induction accelerator constructed at Sandia National Laboratories in the late 1980s and which continues operation to this day. As part of recent modernization efforts, the laser triggering system on the accelerator has been replaced with a newly designed solid-state system. This system consists of ten Nd:YAG lasers, each having a nominal output energy of 40-45 mJ at a wavelength of 266 nm. The beam from each laser is split such that it triggers two of the Rimfire gas switches on the accelerator. Compared to the previous laser triggering system, this arrangement makes it possible to more readily tailor the final output pulse shape, and overall reliability for the accelerator's operation with these new lasers has increased. The design of this new laser triggering system is presented in this paper, along with details pertaining to the energy budgeting, optical beam paths, and electrical triggering of the lasers. Initial operational data from the HERMES III accelerator using this new triggering system is also presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1985

Sources of the ultraheavy cosmic rays

The suggestions that the source abundances of cosmic ray nuclei heavier then Fe differ significantly from Solar System abundances are not well supported by the data without assuming preferential acceleration. The Solar System abundances of Pb and Bi are split into r-, standard s-, and cyclic 8-process components; the apprarent deficiency of Pb seen in the HEAO-3 Heavy Nuclei Experiment data might indicate an absence of Pb from the recycling 8-process.

Margolis, S. H.↗

NASA NTRS1985

The heaviest cosmic-ray nuclei

The implications of abundance measurements of cosmic-ray nuclei heavier than Fe are examined in light of standard propagation models and nucleosynthetic theory. Suggestions that the cosmic-ray source abundances differ significantly from solar system abundances are not well supported by the data without assuming ad hoc models of preferential acceleration. The solar system abundances of Pb and Bi are split into r-, standard s-, and cyclic s-process components to assess the contributions of these nucleosynthetic processes to the cosmic-ray source. The apparent deficiency of Pb seen in the HEAO 3 HNE data might indicate an absence of Pb from the recycling s-process.

Margolis, S. H.↗

NASA NTRS1992

Numerical Modeling of a Vortex Stabilized Arcjet

Arcjet thrusters are being actively considered for use in Earth orbit maneuvering applications. Experimental studies are currently the chief means of determining an optimal thruster configuration. Earlier numerical studies have failed to include all of the effects found in typical arcjets including complex geometries, viscosity, and swirling flow. Arcjet geometries are large area ratio converging nozzles with centerbodies in the subsonic portion of the nozzle. The nozzle walls serve as the anode while the centerbody functions as the cathode. Viscous effects are important because the Reynolds number, based on the throat radius, is typically less than 1,000. Experimental studies have shown that a swirl or circumferential velocity component stabilizes a constricted arc. This dissertation describes the equations governing flow through a constricted arcjet thruster. An assumption that the flowfield is in local thermodynamic equilibrium leads to a single fluid plasma temperature model. An order of magnitude analysis reveals the governing fluid mechanics equations are uncoupled from the electromagnetic field equations. A numerical method is developed to solve the governing fluid mechanics equations, the Thin Layer Navier-Stokes equations. A coordinate transformation is employed in deriving the governing equations to simplify the application of boundary conditions in complex geometries. An axisymmetric formulation is employed to include the swirl velocity component as well as the axial and radial velocity components. The numerical method is an implicit finite-volume technique and allows for large time steps to reach a converged steady-state solution. The inviscid fluxes are flux-split, and Gauss-Seidel line relaxation is used to accelerate convergence. Converging-diverging nozzles with exit-to-throat area ratios up to 100:1 and annular nozzles were examined. Quantities examined included Mach number and static wall pressure distributions, and oblique shock structures. As the level of swirl and viscosity in the flowfield increased the mass flow rate and thrust decreased. The technique was used to predict the flow through a typical arcjet thruster geometry. Results indicate swirl and viscosity play an important role in the complex geometry of an arcjet.

Pawlas, Gary E.↗

NASA NTRS1997

Issues concerning the Orion gamma ray line observations: Line splitting and LiBeB origin

The phenomenon of broad gamma ray line splitting is discussed, together with a scenario for the suppression of the blue wings of these broad lines due to the geometry of the accelerated particle interaction region. The broad and narrow gamma ray line emissions are compared taking into account the line splitting effect. It is concluded that the observed gamma ray lines from Orion are most likely broad, implying that the low energy cosmic rays which produce this line emission consist mostly of C and heavier ions. The suppression of the proton and alpha particle abundances requires acceleration conditions such as the acceleration of the ejecta of the supernovae before mixing with the interstellar medium. Similar conditions are implied by observations of the B and Be in low metallicity stars formed during the first Gyr of galactic evolution.

Ramaty, R.↗

NASA NTRS1972

Geomagnetic field distortions and their effects on radiation belt particles.

One of the quadrupole terms in the main geomagnetic field is found to contribute to a north-south 'shear distortion' of the particle-drift shells, whereas one of the octupole components causes a longitude-dependent radial deformation and associated 'drift-shell splitting.' The collective action of all higher multipoles on trapped-particle motion is then used to analyze the 'true' anomalies or distortions of the internal geomagnetic field that are independent of the quadrupole-related eccentricity of the main dipole. These 'true' anomalies must originate in upper-mantle or crustal perturbations that lie relatively near the earth's surface on both sides of the mid-Atlantic ridge; they influence trapped-particle drift shells only where the latter have their closest approach to the earth (South Atlantic and South African areas). The quadrupole and octupole perturbations, on the other hand, obviously originate deep in the earth's core. In the final part of this review, we discuss the effects of external magnetospheric currents. A time-dependent symmetric ring current causes drift shells to be displaced radially, with associated particle acceleration; magnetopause currents introduce a day-night asymmetry, causing shell splitting.

Roederer, J. G.↗

DOE OSTI2024

Hydrogen and its Vital Role in a Clean Energy Future

Large-scale, low -cost hydrogen production can enable an economically competitive, secure, and environmentally beneficial future energy system across multiple sectors. Furthermore, clean hydrogen can address specific sectors that are hard to decarbonize (e.g., heavy-duty trucking, load-following electricity, iron, steel, and cement) and can help the U.S. meet the net zero carbon goal by 2050. To achieve this goal, tens of millions of metric tons of clean, reliable, and affordable hydrogen will be needed annually1. In 2021, the Hydrogen Energy Earthshot was launched, and its goal is to reduce the cost of clean hydrogen to $1 per $1 kilogram in 1 decade (1 1 1) 2. One very promising pathway for large-scale hydrogen production is water splitting. Water splitting technologies range from commercial technologies such as electrolyzers to approaches that are at a much earlier stage of development, such as photoelectrochemical (PEC) and thermochemical (TCH) processes. All these water splitting pathways offer diverse benefits in energy storage, grid services, and cross-sector emissions reductions while taking advantage of the diverse domestic resources. However, critical materials-, component- and system-level challenges must be addressed to improve efficiency and durability and reduce cost. To address these barriers and move these promising and high impact technologies forward, the HydroGEN Advanced Water Splitting Materials (AWSM) and the H2 from the Next-generation of Electrolyzers of Water (H2NEW) consortia were formed and supported by the Department of Energy (DOE) EERE Hydrogen and Fuel Cell Technologies Office (HFTO). HydroGEN (https://www.energy.gov/eere/h2awsm/) consortium, established in 2016, is an Energy Materials Network (EMN) that aims to accelerate the materials R&D of low technology readiness level (TRL) advanced water splitting (AWS) technologies. The consortium comprises five core national laboratories and focuses on four early-stage AWS pathways: alkaline exchange membrane (AEM) electrolysis, proton conducting solid oxide electrolysis (p-SOEC), photoelectrochemical, and thermochemical water splitting. Liquid alkaline and PEM electrolyzers are already commercial and significant advancements in oxygen conducting solid oxide electrolysis cells (o-SOECs) have been realized. Yet, these systems are still too expensive and not sufficiently durable for wide-scale commercialization. To enable high-volume manufacturing of affordable, durable, efficient electrolyzers, H2NEW (https://h2new.energy.gov/), another multi-lab consortium, was established in 2020. This comprehensive, concerted effort is focused on overcoming barriers related to components and materials integration and scale-up to achieve performance, durability, with an initial focus to achieve $2/kg H2 by 2026.

AEM↗

NASA NTRS1991

An efficient solution technique for shockwave-boundary layer interactions with flow separation and slot suction effects

An efficient method for computing two-dimensional compressible Navier-Stokes flow fields is presented. The solution algorithm is a fully-implicit approximate factorization technique based on an unsymmetric line Gauss-Seidel splitting of the equation system Jacobian matrix. Convergence characteristics are improved by the addition of acceleration techniques based on Shamanskii's method for nonlinear equations and Broyden's quasi-Newton update. Characteristic-based differencing of the equations is provided by means of Van Leer's flux vector splitting. In this investigation, emphasis is placed on the fast and accurate computation of shock-wave-boundary layer interactions with and without slot suction effects. In the latter context, a set of numerical boundary conditions for simulating the transpiration flow in an open slot is devised. Both laminar and turbulent cases are considered, with turbulent closure provided by a modified Cebeci-Smith algebraic model. Comparisons with computational and experimental data sets are presented for a variety of interactions, and a fully-coupled simulation of a plenum chamber/inlet flowfield with shock interaction and suction is also shown and discussed.

Edwards, Jack R.↗

NASA NTRS1987

Multigrid acceleration of the isenthalpic form of the compressible flow equations

A numerical method for solving the isenthalpic form of the governing equations for compressible inviscid flows was developed. The method is based on the concept of flux vector splitting in its implicit form and was tested on several demanding configurations. Time marching to steady state was accelerated by the implementation of the multigrid procedure which very effectively increased the rate of convergence. High quality steady-state results were obtained for various test cases and required only short computational times due to the relative efficiency of the basic method.

Melson, N. Duane↗

NASA NTRS1987

Multigrid acceleration of the isenthalpic form of the compressible flow equations

Melson, N. Duane↗

DOE OSTI2022

Transient Relativistic Plasma Grating to Tailor High-Power Laser Fields, Wakefield Plasma Waves, and Electron Injection

In this work, we show the first experiment of a transverse laser interference for electron injection into the laser plasma accelerators. Simulations show such an injection is different from previous methods, as electrons are trapped into later acceleration buckets other than the leading ones. With optimal plasma tapering, the dephasing limit of such unprecedented electron beams could be potentially increased by an order of magnitude. In simulations, the interference drives a relativistic plasma grating, which triggers the splitting of relativistic-intensity laser pulses and wakefield. Consequently, spatially dual electron beams are accelerated, as also confirmed by the experiment.

43 PARTICLE ACCELERATORS↗

DOE OSTI2021

Exploring new physics with O(keV) electron recoils in direct detection experiments

Motivated by the recent XENON 1T results, we explore various new physics models that can be discovered through searches for electron recoils in O(keV)-threshold direct-detection experiments. First, we consider the absorption of axion-like particles, dark photons, and scalars, either as dark matter relics or being produced directly in the Sun. In the latter case, we find that keV mass bosons produced in the Sun provide an adequate fit to the data but are excluded by stellar cooling constraints. We address this tension by introducing a novel Chameleon-like axion model, which can explain the excess while evading the stellar bounds. We find that absorption of bosonic dark matter provides a viable explanation for the excess only if the dark matter is a dark photon or an axion. In the latter case, photophobic axion couplings are necessary to avoid X-ray constraints. Second, we analyze models of dark matter-electron scattering to determine which models might explain the excess. Standard scattering of dark matter with electrons is generically in conflict with data from lower-threshold experiments. Momentum-dependent interactions with a heavy mediator can fit the data with dark matter mass heavier than a GeV but are generically in tension with collider constraints. Next, we consider dark matter consisting of two (or more) states that have a small mass splitting. The exothermic (down)scattering of the heavier state to the lighter state can fit the data for keV mass splittings. Finally, we consider a subcomponent of dark matter that is accelerated by scattering off cosmic rays, finding that dark matter interacting though an O(100 keV)-mass mediator can fit the data. The cross sections required in this scenario are, however, typically challenged by complementary probes of the light mediator. Throughout our study, we implement an unbinned Monte Carlo analysis and use an improved energy reconstruction of the XENON 1T events.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

HipBone: A performance-portable graphics processing unit-accelerated C++ version of the NekBone benchmark

We present hipBone, an open-source performance-portable proxy application for the Nek5000 (and NekRS) computational fluid dynamics applications. HipBone is a fully GPU-accelerated C++ implementation of the original NekBone CPU proxy application with several novel algorithmic and implementation improvements which optimize its performance on modern fine-grain parallel GPU accelerators. Our optimizations include a conversion to store the degrees of freedom of the problem in assembled form in order to reduce the amount of data moved during the main iteration and a portable implementation of the main Poisson operator kernel. We demonstrate near-roofline performance of the operator kernel on three different modern GPU accelerators from two different vendors. We present a novel algorithm for splitting the application of the Poisson operator on GPUs which aggressively hides MPI communication required for both halo exchange and assembly. Our implementation of nearest-neighbor MPI communication then leverages several different routing algorithms and GPU-Direct RDMA capabilities, when available, which improves scalability of the benchmark. We demonstrate the performance of hipBone on three different clusters housed at Oak Ridge National Laboratory, namely, the Summit supercomputer and the Frontier early-access clusters, Spock and Crusher. Our tests demonstrate both portability across different clusters and very good scaling efficiency, especially on large problems.

Computer Science↗

NASA NTRS1986

Efficient solution methods for the Navier-Stokes equations

Implicit finite difference schemes for solving two-dimensional and three-dimensional Euler and thin layer Navier-Stokes equations are addressed. The methods are demonstrated in fully vectorized codes for a Cray type architecture. The Beam and Warming implicit approximate factorization algorithm in generalized coordinates is used. The methods are either time accurate or accelerated non-time accurate steady state schemes. Acceleration and efficiency modifications such as matrix reduction, diagonalization, and flux split schemes are presented. Two dimensional inviscid and viscous calculations (e.g., airfoils with a deflected spoiler, circulation control airfoils, and unsteady buffeting) and of three dimensional viscous elliptical bodies, exhausting boattails, and generic oblique wing computations are discussed.

Pulliam, T. H.↗

NASA NTRS1986

Implicit solution methods in computational fluid dynamics

A class of implicit finite difference schemes of the Beam and Warming approximate factorization type will be addressed. The development and analysis of various aspects of this class of schemes will be given along with the motivations behind many of the choices. Various acceleration and efficiency modifications such as matrix reduction, diagonalization and flux split schemes will be presented. The methods are demonstrated in fully vectorized codes for a CRAY type architecture. The emphasis will be on the Euler equations in generalized coordinates.

Pulliam, Thomas H.↗

NASA NTRS2010

Development of Implicit Methods in CFD NASA Ames Research Center 1970's - 1980's

The focus here is on the early development (mid 1970's-1980's) at NASA Ames Research Center of implicit methods in Computational Fluid Dynamics (CFD). A class of implicit finite difference schemes of the Beam and Warming approximate factorization type will be addressed. The emphasis will be on the Euler equations. A review of material pertinent to the solution of the Euler equations within the framework of implicit methods will be presented. The eigensystem of the equations will be used extensively in developing a framework for various methods applied to the Euler equations. The development and analysis of various aspects of this class of schemes will be given along with the motivations behind many of the choices. Various acceleration and efficiency modifications such as matrix reduction, diagonalization and flux split schemes will be presented.

Pulliam, Thomas H.↗

DOE OSTI2026

Photoelectrode Durability in Two- versus Three-Electrode Configurations: Understanding the Impact of Circuit Configuration on Water-Splitting Stability

Device durability remains a significant challenge in photoelectrochemical (PEC) water splitting under ambient conditions. Yet, a lack of understanding of the test configuration and applied bias effects continue to hinder progress. In this study, we differentiate two-electrode (2E) and three-electrode (3E) configurations for evaluating PEC material durability, focusing particularly on their impacts on photoabsorber solid-state operating conditions. Our results underscore the fallacy of inferring 2E device stability from durability measurements performed solely in 3E configurations. Unmeasured and often misunderstood total circuit bias in 3E tests moderates material degradation, leading to the overestimation of photoelectrode stability compared to short-circuit operation. We demonstrate how the photoabsorber's operating voltage critically governs charge separation, surface stability, and degradation mechanisms during PEC operation. With these findings, we propose a standardized framework for conducting more reliable 3E durability experiments that simulate unassisted performance to help accelerate the development of robust, stable materials for solar-driven water splitting.

08 HYDROGEN↗

DOE OSTI2023

Novel Chalcopyrites for Advanced Photoelectrochemical Water Splitting

With the support of DoE’s EERE office, our team has established a unique tool-chest of capabilities, including theoretical modeling (Lawrence Livermore National Laboratory: LLNL), state-of-the-art synthesis (Hawaii Natural Energy Institute: HNEI, Stanford, and the National Renewable Energy Laboratory: NREL) and advanced materials and interfaces characterization (University of Nevada, Las Vegas: UNLV, and Lawrence Berkeley National Laboratory: LBNL), to accelerate the development of high efficiency and durable chalcopyrite materials for advanced photoelectrochemical (PEC) water splitting. Using this synergistic approach, we have successfully created new wide bandgap chalcopyrite photocathodes generating over 10 mA/cm 2 , developed innovative strategies to protect them from corrosion, and engineered novel integration methods to circumvent thin film materials mechanical, chemical and thermal incompatibility. In Task 1 “Modeling and synthesis of chalcopyrite photocathodes”, we expanded our library of wide bandgap chalcopyrites for PEC water splitting. With support from LLNL’s “Computational Materials Diagnostics and Optimization of PEC Devices”, LBNL’s “photophysical” and NREL’s “I-III-VI Compound Semiconductors for Water-Splitting” nodes, we investigated two new chalcopyrite candidates for PEC water splitting: Cu(In,Al)Se 2 and Cu(In,B)Se 2 . We also further developed ordered vacancy compounds, such as CuGa 3 Se 5 , with unprecedented durability during PEC waters splitting in acidic solutions. In Task 2 “Interfaces engineering for enhanced efficiency and durability”, we addressed both the non-ideal band-edge positions of chalcopyrites with respect to water redox potentials, as well as their chemical instability under PEC water splitting, with a buried-junctions approach. With help from NREL’s “High-Throughput Experimental Thin Film Combinatorial Capabilities” and “Corrosion Analysis of Materials” nodes, we engineered environmentally friendly n-type buffers, including Mn x Zn 1-x O, to adjust the chalcopyrite band-edge positions and achieved photovoltages as high as 925 mV. Also, we integrated non-precious catalytic-protecting layers, such as WO 3 , to enhance the water splitting long-term stability of chalcopyrite absorbers. Finally, in Task 3 “Hybrid photoelectrode device integration”, we proposed an innovative method to bond wide bandgap photocathodes onto narrow bandgap PV drivers at room temperature using conductive polymers. Our semi-monolithic approach addressed fundamental processing incompatibility issues, as both the photocathode and the PV driver are processed separately. Proof-of-concept whole-chalcopyrite tandems were obtained by consecutive exfoliation and transfer of fully integrated 1.85 eV CuGa 3 Se 5 and 1.13 eV CuInGaSe 2 stacks from their Mo/SLG substrates onto a new single FTO host substrate.

08 HYDROGEN↗