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DOE OSTI2015

Chemical acceleration of a neutral granulated blast-furnace slag activated by sodium carbonate

This paper presents results of a study on chemical acceleration of a neutral granulated blast-furnace slag activated using sodium carbonate. As strength development of alkali-activated slag cements containing neutral GBFS and sodium carbonate as activator at room temperature is known to be slow, three accelerators were investigated: sodium hydroxide, ordinary Portland cement and a combination of silica fume and slaked lime. In all cements, the main hydration product is C–(A)–S–H, but its structure varies between tobermorite and riversideite depending on the accelerator used. Calcite and gaylussite are present in all systems and they were formed due to either cation exchange reaction between the slag and the activator, or carbonation. With accelerators, compressive strength up to 15 MPa can be achieved within 24 h in comparison to 2.5 MPa after 48 h for a mix without an accelerator.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Accelerated impurity solver for DMFT and its diagrammatic extensions

Here, we present ComCTQMC, a GPU accelerated quantum impurity solver. It uses the continuous-time quantum Monte Carlo (CTQMC) algorithm wherein the partition function is expanded in terms of the hybridisation function (CT-HYB). ComCTQMC supports both partition and worm-space measurements, and it uses improved estimators and the reduced density matrix to improve observable measurements whenever possible. ComCTQMC efficiently measures all one and two-particle Green's functions, all static observables which commute with the local Hamiltonian, and the occupation of each impurity orbital. ComCTQMC can solve complex-valued impurities with crystal fields that are hybridized to both fermionic and bosonic baths. Most importantly, ComCTQMC utilizes graphical processing units (GPUs), if available, to dramatically accelerate the CTQMC algorithm when the Hilbert space is sufficiently large. We demonstrate acceleration by a factor of over 600 (100) in a simulation of δ-Pu at 600 K with (without) crystal fields. In easier problems, the GPU offers less impressive acceleration or even decelerates the CTQMC. Here we describe the theory, algorithms, and structure used by ComCTQMC in order to achieve this set of features and level of acceleration.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

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 OSTI2017

Multilevel acceleration of scattering-source iterations with application to electron transport

Acceleration/preconditioning strategies available in the SCEPTRE radiation transport code are described. A flexible transport synthetic acceleration (TSA) algorithm that uses a low-order discrete-ordinates (S N ) or spherical-harmonics (P N ) solve to accelerate convergence of a high-order S N source-iteration (SI) solve is described. Convergence of the low-order solves can be further accelerated by applying off-the-shelf incomplete-factorization or algebraic-multigrid methods. Also available is an algorithm that uses a generalized minimum residual (GMRES) iterative method rather than SI for convergence, using a parallel sweep-based solver to build up a Krylov subspace. TSA has been applied as a preconditioner to accelerate the convergence of the GMRES iterations. The methods are applied to several problems involving electron transport and problems with artificial cross sections with large scattering ratios. These methods were compared and evaluated by considering material discontinuities and scattering anisotropy. Observed accelerations obtained are highly problem dependent, but speedup factors around 10 have been observed in typical applications.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2020

Adaptive model tuning studies for non-invasive diagnostics and feedback control of plasma wakefield acceleration at FACET-II

Beam-driven plasma wakefield acceleration (PWFA) achieves the same energy gain in a single meter, for which conventional accelerators require several kilometers, however much work is still required to match the beam quality of conventional accelerators. The PWFA processes to be studied at the FACET-II facility will utilize extremely short (down to a few fs) high energy (10 GeV), high charge (few nC) electron and eventually positron bunches. The PWFA process is extremely sensitive to the detailed longitudinal current profiles of these bunches and it would be of great benefit to have precise measurement and control of these profiles. We present an adaptive model tuning technique for FACET-II to adaptively tune online models based on real time accelerator and beam data to continuously provide a non-invasive diagnostic which predicts the longitudinal phase space (LPS) of extremely short and highly compressed electron beams, which otherwise require destructive X-band transverse deflecting cavity (XTCAV)-based measurements. Based on simulation studies, our method has the potential for: (1). The development of a non-invasive longitudinal phase space diagnostic by adaptively tuning models based on non-invasive measurements such as energy spread spectra which could be recorded at all of the bunch compressors in the facility. (2). Utilize these diagnostic to perform model-independent feedback-based to achieve desired longitudinal phase space distributions. (3). Utilize the model-independent feedback approach to maximize energy gain while minimizing emittance growth and energy gain variance of the PWFA process by tuning accelerator parameters, while monitoring what longitudinal phase space the algorithm has found, information that will be useful for further analytical and simulation studies.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

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 OSTI2017

Efficient acceleration of neutral atoms in laser produced plasma

Recent advances in high-intensity laser-produced plasmas have demonstrated their potential as compact charge particle accelerators. Unlike conventional accelerators, transient quasi-static charge separation acceleration fields in laser produced plasmas are highly localized and orders of magnitude larger. Manipulating these ion accelerators, to convert the fast ions to neutral atoms with little change in momentum, transform these to a bright source of MeV atoms. The emittance of the neutral atom beam would be similar to that expected for an ion beam. Since intense laser-produced plasmas have been demonstrated to produce high-brightness-low-emittance beams, it is possible to envisage generation of high-flux, low-emittance, high energy neutral atom beams in length scales of less than a millimeter. Here, we show a scheme where more than 80% of the fast ions are reduced to energetic neutral atoms and demonstrate the feasibility of a high energy neutral atom accelerator that could significantly impact applications in neutral atom lithography and diagnostics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Development and characterization of Nb3Sn/Al2O3 superconducting multilayers for particle accelerators

Abstract Superconducting radio-frequency (SRF) resonator cavities provide extremely high quality factors > 10 10 at 1–2 GHz and 2 K in large linear accelerators of high-energy particles. The maximum accelerating field of SRF cavities is limited by penetration of vortices into the superconductor. Present state-of-the-art Nb cavities can withstand up to 50 MV/m accelerating gradients and magnetic fields of 200–240 mT which destroy the low-dissipative Meissner state. Achieving higher accelerating gradients requires superconductors with higher thermodynamic critical fields, of which Nb 3 Sn has emerged as a leading material for the next generation accelerators. To overcome the problem of low vortex penetration field in Nb 3 Sn, it has been proposed to coat Nb cavities with thin film Nb 3 Sn multilayers with dielectric interlayers. Here, we report the growth and multi-technique characterization of stoichiometric Nb 3 Sn/Al 2 O 3 multilayers with good superconducting and RF properties. We developed an adsorption-controlled growth process by co-sputtering Nb and Sn at high temperatures with a high overpressure of Sn. The cross-sectional scanning electron transmission microscope images show no interdiffusion between Al 2 O 3 and Nb 3 Sn. Low-field RF measurements suggest that our multilayers have quality factor comparable with cavity-grade Nb at 4.2 K. These results provide a materials platform for the development and optimization of high-performance SIS multilayers which could overcome the intrinsic limits of the Nb cavity technology.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2012

Ion acceleration in a helicon source due to the self-bias effect

Time-averaged plasma potential differences up to 165 V over several hundred Debye lengths are observed in low pressure (p{sub n} < 1 mTorr) expanding argon plasmas in the Madison Helicon eXperiment (MadHeX). The potential gradient leads to ion acceleration greater than that predicted by ambipolar expansion, exceeding E{sub i} Almost-Equal-To 7 kT{sub e} in some cases. RF power up to 500 W at 13.56 MHz is supplied to a half-turn, double-helix antenna in the presence of a nozzle magnetic field, adjustable up to 1 kG. A retarding potential analyzer (RPA) measures the ion energy distribution function (IEDF) and a swept emissive probe measures the plasma potential. Single and double probes measure the electron density and temperature. Two distinct mode hops, the capacitive-inductive (E-H) and inductive-helicon (H-W) transitions, are identified by jumps in density as RF power is increased. In the capacitive (E) mode, large fluctuations of the plasma potential (V{sub p-p} Greater-Than-Or-Equivalent-To 140V, V{sub p-p}/V{sub p} Almost-Equal-To 150%) exist at the RF frequency and its harmonics. The more mobile electrons can easily respond to RF-timescale gradients in the plasma potential whereas the inertially constrained ions cannot, leading to an initial flux imbalance and formation of a self-bias voltage between the source and expansion chambers. In the capacitive mode, the ion acceleration is not well described by an ambipolar relation, while in the inductive and helicon modes the ion acceleration more closely follows an ambipolar relation. The scaling of the potential gradient with the argon flow rate and RF power are investigated, with the largest potential gradients observed for the lowest flow rates in the capacitive mode. The magnitude of the self-bias voltage agrees with that predicted for RF self-bias at a wall. Rapid fluctuations in the plasma potential result in a time-dependent axial electron flux that acts to 'neutralize' the accelerated ion population, resulting in a zero net time-averaged current through the acceleration region when an insulating upstream boundary condition is enforced. Grounding the upstream endplate increases the self-bias voltage compared to a floating endplate.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2014

Analysis of ballistic transport in nanoscale devices by using an accelerated finite element contact block reduction approach

An accelerated Finite Element Contact Block Reduction (FECBR) approach is presented for computational analysis of ballistic transport in nanoscale electronic devices with arbitrary geometry and unstructured mesh. Finite element formulation is developed for the theoretical CBR/Poisson model. The FECBR approach is accelerated through eigen-pair reduction, lead mode space projection, and component mode synthesis techniques. The accelerated FECBR is applied to perform quantum mechanical ballistic transport analysis of a DG-MOSFET with taper-shaped extensions and a DG-MOSFET with Si/SiO{sub 2} interface roughness. The computed electrical transport properties of the devices obtained from the accelerated FECBR approach and associated computational cost as a function of system degrees of freedom are compared with those obtained from the original CBR and direct inversion methods. The performance of the accelerated FECBR in both its accuracy and efficiency is demonstrated.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

Effective closed form mathematical approach to determine kinetic constants of NR vulcanized with sulphur and accelerators at different concentrations

The basic reaction scheme due to Han and co-workers for NR vulcanized with sulphur is adopted and modified taking into account the single contributions of the different accelerators, focusing in particular on some experimental data ad hoc obtained at Pirelli’s laboratories, where NR was vulcanized at different temperatures (from 150 to 180 °C) and concentrations of sulphur, using TBBS and DPG in the mixture as co-agents. Typically, the chain reactions are initiated by the formation of macro-compounds that are responsible of the formation of the unmatured crosslinked polymer. This first reaction depends on the reciprocal concentrations of all components and their chemical nature. In presence of two accelerators, it was considered that the reactions between each single accelerator and the NR raw material occur in parallel, making the reasonable assumption that there are no mutual reactions between the two accelerators. From the kinetic scheme adopted, a closed form solution was found for the crosslink density, with the only limitation that the induction period is excluded from computations. Even kinetic constants are evaluated in closed form, avoiding a numerically demanding least-squares best fitting on rheometer experimental data. Two series of experiments available, relying into rheometer curves at different temperatures and different concentrations of sulphur and accelerator, are utilized to evaluate the fitting capabilities of the mathematical model. Very good agreement between numerical output and experimental data is experienced in all cases analysed.

36 MATERIALS SCIENCE↗

DOE OSTI2015

Cascaded radiation pressure acceleration

A cascaded radiation-pressure acceleration scheme is proposed. When an energetic proton beam is injected into an electrostatic field moving at light speed in a foil accelerated by light pressure, protons can be re-accelerated to much higher energy. An initial 3-GeV proton beam can be re-accelerated to 7 GeV while its energy spread is narrowed significantly, indicating a 4-GeV energy gain for one acceleration stage, as shown in one-dimensional simulations and analytical results. The validity of the method is further confirmed by two-dimensional simulations. This scheme provides a way to scale proton energy at the GeV level linearly with laser energy and is promising to obtain proton bunches at tens of gigaelectron-volts.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2017

Heavy ion linear accelerator for radiation damage studies of materials

A new eXtreme MATerial (XMAT) research facility is being proposed at Argonne National Laboratory to enable rapid in situ mesoscale bulk analysis of ion radiation damage in advanced materials and nuclear fuels. This facility combines a new heavy-ion accelerator with the existing high-energy X-ray analysis capability of the Argonne Advanced Photon Source. The heavy-ion accelerator and target complex will enable experimenters to emulate the environment of a nuclear reactor making possible the study of fission fragment damage in materials. Material scientists will be able to use the measured material parameters to validate computer simulation codes and extrapolate the response of the material in a nuclear reactor environment. Utilizing a new heavy-ion accelerator will provide the appropriate energies and intensities to study these effects with beam intensities which allow experiments to run over hours or days instead of years. The XMAT facility will use a CW heavy-ion accelerator capable of providing beams of any stable isotope with adjustable energy up to 1.2 MeV/u for 238 U 50+ and 1.7 MeV for protons. This energy is crucial to the design since it well mimics fission fragments that provide the major portion of the damage in nuclear fuels. The energy also allows damage to be created far from the surface of the material allowing bulk radiation damage effects to be investigated. Furthermore, the XMAT ion linac includes an electron cyclotron resonance ion source, a normal-conducting radio-frequency quadrupole and four normal-conducting multi-gap quarter-wave resonators operating at 60.625 MHz. This paper presents the 3D multi-physics design and analysis of the accelerating structures and beam dynamics studies of the linac.

47 OTHER INSTRUMENTATION↗

DOE OSTI2017

The role of three-dimensional transport in driving enhanced electron acceleration during magnetic reconnection

Magnetic reconnection is an important driver of energetic particles in many astrophysical phenomena. Using kinetic particle-in-cell simulations, we explore the impact of three-dimensional reconnection dynamics on the efficiency of particle acceleration. In two-dimensional systems, Alfvénic outflows expel energetic electrons into flux ropes where they become trapped and disconnected from acceleration regions. However, in three-dimensional systems these flux ropes develop an axial structure that enables particles to leak out and return to acceleration regions. This requires a finite guide field so that particles may move quickly along the flux rope axis. We show that greatest energetic electron production occurs when the guide field is of the same order as the reconnecting component: large enough to facilitate strong transport, but not so large as to throttle the dominant Fermi mechanism responsible for efficient electron acceleration. This suggests a natural explanation for the envelope of electron acceleration during the impulsive phase of eruptive flares.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2019

Relativistic laser driven electron accelerator using micro-channel plasma targets

We present an experimental demonstration of the efficient acceleration of electrons beyond 60MeV using micro-channel plasma targets. We employed a high-contrast, 2.5 J, 32 fs short pulse laser interacting with a 5 lm inner diameter, 300 lm long microchannel plasma target. The micro-channel was aligned to be collinear with the incident laser pulse, confining the majority of the laser energy within the channel. The measured electron spectrum showed a large increase in the cut-off energy and slope temperature when compared to that from a 2 lm flat Copper target, with the cutoff energy more than doubled and the total energy in electrons >5MeV enhanced by over 10 times. Three-dimensional particle-in-cell simulations confirm efficient direct laser acceleration enabled by the novel structure as the dominant acceleration mechanism for the high energy electrons. The simulations further reveal the guiding effect of the channel that successfully explains preferential acceleration on the laser/channel axis observed in experiments. Finally, systematic simulations provide scalings for the energy and charge of the electron pulses. Our results show that the micro-channel plasma target is a promising electron source for applications such as ion acceleration, Bremsstrahlung X-ray radiation, and THZ generation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Upgrading the LANSCE accelerator with a SNS RF-driven H− ion source

The LANSCE accelerator is currently powered by a filament-driven, biased converter-type H− ion source that operates at 10%, the highest plasma duty factor for this type of source, using only ∼2.2 SCCM of H2. The ion source needs to be replaced every 4 weeks, which takes up to 4 days. The measured negative beam current of 12–16 mA falls below the desired 24 mA acceptance of the LANCSE accelerator. The SNS (Spallation Neutron Source) RF-driven, H− ion source injects ∼50 mA of H− beam into the SNS accelerator at 60 Hz with a 6% duty factor and an availability of >99.5% but requires ∼30 SCCM of H2. Up to 7 A h of H− have been produced during the 14-weeks-long source service cycles, which is unprecedented for small emittance, high-current, pulsed H− ion sources. The emittance of the SNS source is slightly smaller than the emittance of the LANSCE source. The SNS source also features unrivaled low Cs consumption and can be installed and started up in <12 h. LANSCE and SNS are working toward the use of SNS H− ion sources on the LANSCE accelerator because they could (a) fill the LANSCE accelerator to its capacity, (b) decrease the source replacement time by a factor of up to 7, and (c) increase source lifetime by a factor of about 4. This paper discusses some of the challenges that emerge when trying to match a different H− source into an existing injector with significantly different characteristics and operating regimes.

Stockli, Martin P.↗

DOE OSTI2020

Direct electron acceleration in multi-kilojoule, multi-picosecond laser pulses

The physics mechanism behind the acceleration of electrons to energies much higher than the laser ponderomotive potential is reported. While electrons with these energies have been observed for the last twenty years at the one percent level, it is only with the recent advent of high power lasers with extended pulse durations, large focal spots, and high intensities that significant numbers (>10%) of the so-called “superponderomotive” electrons have been observed. Evidence is provided that the dominant acceleration mechanism of superponderomotive electrons is direct acceleration by the electromagnetic (EM) wave of the laser as they co-propagate in an under-dense plasma; one-dimensional particle-in-cell simulations yield electron spectra with typically ten times the ponderomotive temperature. Direct acceleration requires tens of plasma wavelengths of under-dense plasma, as well as pulse durations of tens of plasma periods, conditions that can be found in large focal spot multi-picosecond laser pulses. It is shown that the plasma simply provides the source of accelerated electrons and a variety of methods to inject a significant population of electrons into the EM waves at relativistic energy.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Optimization of transformer ratio and beam loading in a plasma wakefield accelerator with a structure-exploiting algorithm

Plasma-based acceleration has emerged as a promising candidate as an accelerator technology for a future linear collider or a next-generation light source. We consider the plasma wakefield accelerator (PWFA) concept where a plasma wave wake is excited by a particle beam and a trailing beam surfs on the wake. For a linear collider, the energy transfer efficiency from the drive beam to the wake and from the wake to the trailing beam must be large, while the emittance and energy spread of the trailing bunch must be preserved. One way to simultaneously achieve this when accelerating electrons is to use longitudinally shaped bunches and nonlinear wakes. In the linear regime, there is an analytical formalism to obtain the optimal shapes. In the nonlinear regime, however, the optimal shape of the driver to maximize the energy transfer efficiency cannot be precisely obtained because currently no theory describes the wake structure and excitation process for all degrees of nonlinearity. In addition, the ion channel radius is not well defined at the front of the wake where the plasma electrons are not fully blown out by the drive beam. We present results using a novel optimization method to effectively determine a current profile for the drive and trailing beam in PWFA that provides low energy spread, low emittance, and high acceleration efficiency. We parameterize the longitudinal beam current profile as a piecewise-linear function and define optimization objectives. For the trailing beam, the algorithm converges quickly to a nearly inverse trapezoidal trailing beam current profile similar to that predicted by the ultrarelativistic limit of the nonlinear wakefield theory. For the drive beam, the beam profile found by the optimization in the nonlinear regime that maximizes the transformer ratio also resembles that predicted by linear theory. Furthermore, the current profiles found from the optimization method provide higher transformer ratios compared with the linear ramp predicted by the relativistic limit of the nonlinear theory.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗