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At least 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Quantum-parallel vectorized data encodings and computations on trapped-ion and transmon QPUs

Compact data representations in quantum systems are crucial for the development of quantum algorithms for data analysis. In this study, we present two innovative data encoding techniques, known as QCrank and QBArt, which exhibit significant quantum parallelism via uniformly controlled rotation gates. The QCrank method encodes a series of real-valued data as rotations on data qubits, resulting in increased storage capacity. On the other hand, QBArt directly incorporates a binary representation of the data within the computational basis, requiring fewer quantum measurements and enabling well-established arithmetic operations on binary data. We showcase various applications of the proposed encoding methods for various data types. Notably, we demonstrate quantum algorithms for tasks such as DNA pattern matching, Hamming weight computation, complex value conjugation, and the retrieval of a binary image with 384 pixels, all executed on the Quantinuum trapped-ion QPU. Furthermore, we employ several cloud-accessible QPUs, including those from IBMQ and IonQ, to conduct supplementary benchmarking experiments.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Observation of parallel intersystem crossing and charge transfer-state dynamics in [Fe(bpy) 3 ] 2+ from ultrafast 2D electronic spectroscopy

Transition metal-based charge-transfer complexes represent a broad class of inorganic compounds with diverse photochemical applications. Charge-transfer complexes based on earth-abundant elements have been of increasing interest, particularly the canonical [Fe(bpy) 3 ] 2+ . Photoexcitation into the singlet metal–ligand charge transfer ( 1 MLCT) state is followed by relaxation first to the ligand-field manifold and then to the ground state. While these dynamics have been well-studied, processes within the MLCT manifold that facilitate and/or compete with relaxation have been more elusive. We applied ultrafast two-dimensional electronic spectroscopy (2DES) to disentangle the dynamics immediately following MLCT excitation of this compound. First, dynamics ascribed to relaxation out of the initially formed 1 MLCT state was found to correlate with the inertial response time of the solvent. Second, the additional dimension of the 2D spectra revealed a peak consistent with a ~20 fs 1 MLCT → 3 MLCT intersystem crossing process. These two observations indicate that the complex simultaneously undergoes intersystem crossing and direct conversion to ligand-field state(s). Resolution of these parallel pathways in this prototypical earth-abundant complex highlights the ability of 2DES to deconvolve the otherwise obscured excited-state dynamics of charge-transfer complexes.

2-dimensional electronic spectroscopy↗
DOE OSTI2024

ATLAS Data Analysis using a Parallel Workflow on Distributed Cloud-based Services with GPUs

A new type of parallel workflow is developed for the ATLAS experiment at the Large Hadron Collider, that makes use of distributed computing combined with a cloud-based infrastructure. This has been developed for a specific type of analysis using ATLAS data, one popularly referred to as Simulation-Based Inference (SBI). The JAX library is used for the parts of the workflow to compute gradients as well as accelerate program execution using just-in-time compilation, which becomes essential in a full SBI analysis and can also offer significant speed-ups in more traditional types of analysis.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Lab-Scale Cable-Driven Parallel Robot Prototype for Automated Prefabricated Component Manipulation

This paper presents the design and evaluation of a lab-scale cable-driven parallel robot (CDPR) developed as a flexible platform for automated installation of prefabricated components onto exterior building envelopes. Traditional manual installation methods for prefabricated components, which depend on scaffolding, cranes, cherry pickers, and verbal coordination, are not only labor-intensive and error-prone but also face significant limitations in dense urban environments due to site access constraints. To address these challenges, we developed a lab-scale CDPR platform capable of autonomously transporting building envelope components from a designated pickup zone to their target installation location, minimizing the need for human intervention. This study describes the system’s mechanical design, actuation architecture, real-time feedback system, and control strategy of the CDPR, and evaluates its performance in a laboratory environment. The robot’s actuation system uses torque control for end-effector manipulation. The robot’s real-time pose feedback comes from a construction-grade total station and a wireless inertial measurement unit (IMU), which together support precise end-effector control. Experimental results demonstrate the successful integration of the hardware, sensing, state estimation, and control subsystems. Preliminary tests showed that our lab-scale prototype can position the end effector with an error of less than 3 mm, which is a level of precision not previously achieved by existing CDPRs in construction applications. The key findings are twofold: (1) torque-only control is necessary but not sufficient for minimizing final pose error, and (2) incorporating real-time pose feedback can achieve the desired placement accuracy.

Liu, Yifang [Oak Ridge National Laboratory (ORNL),↗
DOE OSTI2020

Diagnostic development for parallel wave-number measurement of lower hybrid waves in EAST

In this study, an eight-channel magnetic probe diagnostic system has been designed and installed adjacent to the 4.6 GHz lower hybrid (LH) grill antenna in the low-field side of the Experimental Advanced Superconducting Tokamak (EAST) in order to study the n ∥ evolution of LH waves in the first pass from the launcher to the core plasma. The magnetic probes are separated by 6.6 mm, which allows measurement of the dominant parallel refractive index n ∥ up to n ∥ = 5 for 4.6 GHz LH waves. The magnetic probes are designed to be sensitive to the magnetic field component perpendicular to the background magnetic field with a slit on the casing that encloses the probe. The intermediate frequency stage, which consists of two mixing stages, down-coverts the frequency of the measured wave signals at 4.6 GHz to 20 MHz. A bench test demonstrates the phase stability of the magnetic probe diagnostic system. By evaluating the phase variation of the measured signals along the background magnetic field, the dominant n ∥ of the LH wave in the scrape-off layer has been deduced during the 2019 experimental campaign. In the low density plasma, the measured dominant n ∥ of the LH waves is about 2.1, corresponding to the main peak 2.04 of the launched n ∥ spectrum. n ∥ deduced by the least-squares linear fit method remains near this value in the low density plasma with a high spatial correlation magnitude of 0.9. With an eight-channel probe system, a wave-number spectrum has also been deduced, which has a peak near to the measured dominant n ∥ .

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Magnetic reconnection and kinetic waves generated in the Earth's quasi-parallel bow shock

Magnetic reconnection in quasi-parallel shocks, relevant to the Earth’s bow shock, is studied by means of two-dimensional full particle-in-cell simulations. As the Alfvénic Mach number increases, the propagation direction of the waves excited in the transition region changes, and the shock becomes more turbulent with more reconnection sites. In the higher Mach number shock, abundant electron-only reconnection sites are generated with scales on the order of the ion skin depth or less. Non-reconnecting current sheets can also generate electron jets and energy dissipation can occur there as well. However, non-reconnecting current sheets with the magnetic field reversal typically show a smaller energy dissipation rate than reconnecting current sheets. In the shock transition region, two types of waves are responsible for driving reconnection: one has a wavelength around three ion skin depths (d i ), and the other has a wavelength less than 1 d i . Here, electron and ion distribution functions show that in regions where the former type of waves is excited, there are two ion beams and a single-peaked electron distribution. In contrast, in regions where the latter type of waves is excited, there are multiple electron and ion beams. The waves propagating obliquely to the magnetic field bend the magnetic field lines, and magnetic reconnection occurs where oppositely directed field lines come into contact.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

A 1D coupled transport/cold plasma wave model for parallel ponderomotive density modification near RF actuators

The plasma density profile close to RF actuators plays a vital role in the efficiency of power coupling from the antenna to the core plasma of fusion devices. Nonlinear interactions can be significant when considering the interaction of applied RF power and the tenuous SOL plasma, and the inclusion of this region in computational analysis is essential to providing robust predictive simulations of plasma response to RF application. Of particular interest is the observed density modification during RF operation. Here we present a self consistent description of the nonlinear ponderomotive force in the antenna near field region, via coupling a 1D field aligned transport model with a 1D cold plasma wave model. Results are presented, which show a parallel electric field of 300 Vm -1 drove a density reduction of ~ 20% over 25 RF periods.

Barnett, Rhea↗
DOE OSTI2021

Plasma heating and current sheet structure in anti-parallel magnetic reconnection

A theoretical model and an analytic theory of current sheet structure are presented for understanding anti-parallel driven magnetic reconnection in 2-1/2 dimension in collisionless plasmas. The theoretical model provides formulation to compute the current sheet y-profiles by specifying the profiles of electron and ion flow velocities V ex (x,y) and V ix (x,y). The current sheet solutions depend on the plasma density n in , merging magnetic field B 0 , ion velocity v i , and electron velocity ve in the upstream and the S evz =V ez /V dz parameter where V ez is the electron velocity accelerated by the reconnection electric field E z in the electron orbit meandering region, V dz ≃cE y /B x is the $\overrightarrow{E}$ × $\overrightarrow{B}$ drift velocity as electrons enter the orbit meandering region, B x is the merging magnetic field, and E y is the electrostatic electric field. With simplifying assumptions on the y-profiles of V ex and V ix , we have also developed an analytic theory of the current sheet structure. Analytic expressions for the anomalous resistivity, the electrostatic potential drop, and the maximum E y amplitude E max are obtained. The analytic results agree reasonably well with both the particle-in-cell simulation results and the numerical solutions of the theoretical model. The ions energy gain due to the potential drop is $∝B^2_0/n_{in}$. The electron energy gain is $∝(B^2_0 /8πn_{in})S_{evz}$. The $B^2_0/n_{in}$ scaling of the average ion and electron energy gains are consistent with laboratory experiments and space plasma observations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Ponderomotive force driven density modifications parallel to B on the LAPD

The ponderomotive force has previously been identified as a possible driver of observed density modifications close to radio frequency actuators during operation. This nonlinear force redistributes density in regions of gradients in the magnitude of an oscillating electric field and describes the influence of the fast time scale RF wave dynamics on slow time scale plasma transport. Depletion of the saturation current (a proxy for the density) measured at the Large Plasma Device (LAPD) was 30–35% during ion cyclotron range of frequencies operation. A coupled 1D plasma transport and cold plasma frequency domain wave solver was developed to self-consistently describe ponderomotive effects and was used to compare with results obtained from the LAPD experiment. The scaled current density driver for the wave model yielded an RF B field in close agreement with two components of the experimental data. However, the 1D parallel model did not accurately reproduce the amplitude or spatial distribution observed in experimental measurements of By. Within the limitations of the 1D model, initial simulation results showed that the ponderomotive force depleted up to 8% for high power (1 MW) and around 1% for the experimental power of 120 kW. This could suggest that the ponderomotive force is not the main driver of density modification for the LAPD experiments presented in this paper. Higher fidelity tools of at least 2D will be required to give a more realistic description of the RF E fields and the effect of the ponderomotive force on the LAPD.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Global gyrokinetic study of shaping effects on electromagnetic modes at NSTX aspect ratio with ad hoc parallel magnetic perturbation effects

Plasma shaping may have a stronger effect on global turbulence in tight-aspect-ratio tokamaks than in conventional-aspect-ratio tokamaks due to the higher toroidicity and more acute poloidal asymmetry in the magnetic field. In addition, previous local gyrokinetic studies have shown that it is necessary to include parallel magnetic field perturbations in order to accurately compute growth rates of electromagnetic modes in tight-aspect-ratio tokamaks. In this work, the effects of elongation and triangularity on global, ion-scale, linear electromagnetic modes are studied at National Spherical Torus Experiment (NSTX) aspect ratio and high plasma β using the global gyrokinetic particle-in-cell code XGC. The effects of compressional magnetic perturbations are approximated via a well-known modification to the particle drifts that was developed for flux-tube simulations [Joiner et al., Phys. Plasmas 17, 072104 (2010)], without proof of its validity in a global simulation, with the gyrokinetic codes GENE and GEM being used for local verification and global cross-verification. Magnetic equilibria are re-constructed for each distinct plasma profile that is used. Coulomb collision effects are not considered. Within the limitations imposed by the present study, it is found that linear growth rates of electromagnetic modes (collisionless microtearing modes and kinetic ballooning modes) are significantly reduced in a high-elongation and high-triangularity NSTX-like geometry compared to a circular NSTX-like geometry. For example, growth rates of kinetic ballooning modes at high- β are reduced to the level of that of collisionless trapped electron modes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Massively parallel GPU enabled third-order cluster perturbation excitation energies for cost-effective large scale excitation energy calculations

We present here a massively parallel implementation of the recently developed CPS(D-3) excitation energy model that is based on cluster perturbation theory. The new algorithm extends the one developed in Baudin et al. [J. Chem. Phys., 150, 134110 (2019)] to leverage multiple nodes and utilize graphical processing units for the acceleration of heavy tensor contractions. Furthermore, we show that the extended algorithm scales efficiently with increasing amounts of computational resources and that the developed code enables CPS(D-3) excitation energy calculations on large molecular systems with a low time-to-solution. More specifically, calculations on systems with over 100 atoms and 1000 basis functions are possible in a few hours of wall clock time. This establishes CPS(D-3) excitation energies as a computationally efficient alternative to those obtained from the coupled-cluster singles and doubles model.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2023

Dynamics of rapidly spinning blob-filaments: Fluid theory with a parallel kinetic extension

Blob-filaments (or simply “blobs”) are coherent structures formed by turbulence and sustained by nonlinear processes in the edge and scrape-off layer (SOL) of tokamaks and other magnetically confined plasmas. The dynamics of these blob-filaments, in particular, their radial motion, can influence the scrape-off layer width and plasma interactions with both the divertor target and with the main chamber walls. Motivated by recent results from the XGC1 gyrokinetic simulation code reported on elsewhere [J. Cheng et al., Nucl. Fusion 63, 086015 (2023)], a theory of rapidly spinning blob-filaments has been developed for this work. The theory treats blob-filaments in the closed flux surface region or the region that is disconnected from sheaths in the SOL. It extends previous work by treating blob spin, arising from partially or fully adiabatic electrons, as the leading-order effect and retaining inertial (ion charge polarization) physics in next order. Spin helps to maintain blob coherency and affects the blob's propagation speed. Dipole charge polarization, treated perturbatively, gives rise to blob-filaments with relatively slow radial velocity, comparable to that observed in the simulations. The theory also treats the interaction of rapidly spinning blob-filaments with a zonal flow layer. It is shown analytically that the flow layer can act like a transport barrier for these structures. Finally, parallel electron kinetic effects are incorporated into the theory. Various asymptotic parameter regimes are discussed, and asymptotic expressions for the radial and poloidal motion of the blob-filaments are obtained.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Effect of neutral interactions on parallel transport and blob dynamics in gyrokinetic scrape-off layer simulations

The effect of neutral interactions on scrape-off layer (SOL) turbulence is investigated in a continuum gyrokinetic code that has been coupled to a continuum kinetic model of neutral transport. This extends the work of a previous paper, which compared two NSTX SOL simulations in simple helical geometry, one with neutrals and one without. The former included electron-impact ionization, charge exchange, and wall recycling. Here, the case with neutrals is compared to a gyrokinetic-only simulation that includes an effective ionization source to separate the effect of sourcing from charge exchange collisions. It is observed that sourcing accounts for many features of the simulated SOL with neutrals, including density and temperature magnitudes and reduced normalized density fluctuations, but differences persist. In particular, a flatter density profile results due to changes in parallel transport when neutral collisions are included, illustrating the importance of neutral drag on global plasma properties. An analysis of coherent turbulent structures, or blobs, in these simulations demonstrates the case with neutrals has slower and larger blobs. Here, a series of seeded blob simulations corroborates the blob velocity observation. In general, the blob motion does not contribute significantly to radial transport in these simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Supervised machine learning-based multivariate regression of parallel closures for a high-collisionality deuterium-carbon plasma

Many plasmas of interest in laboratory experiments and space consist of multiple ion species. In tokamak edge plasmas, for instance, ionized impurities expelled from the vessel wall influence plasma transport. When describing multi-species plasmas using fluid equations, we need accurate closure relations to close the set of fluid equations. In this study, we introduce the development of fitting formulas for parallel closures using supervised machine learning, in conjunction with the recent closure theory, considering multi-ion collisions and arbitrary ion temperatures. We apply this approach to a high-collisionality deuterium-carbon plasma and demonstrate its effectiveness. As a result, the machine learning-based method for developing practical and accurate closures can be extended to a wider range of plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Kinetic simulations comparing quasi-parallel and quasi-perpendicular piston-driven collisionless shock dynamics in magnetized laboratory plasmas

Magnetized collisionless shocks are common in astrophysical systems, and scaled versions can be created in laboratory experiments by utilizing laser-driven piston plasmas to create these shocks in a magnetized background plasma. A key parameter for these experiments is the angle θB between the shock propagation direction and the background magnetic field. We performed quasi-1D piston-driven shock simulations to explore shock formation, evolution, and key observables relevant to laboratory experiments for a range of shock angles between θB=90° to θB=30°. Our results show that the spatial and temporal scales of shock formation for all angles considered are similar when expressed in terms of the perpendicular component of the magnetic field. In a steady state, ion and electron temperatures become more isotropic, and the electron-to-ion temperature ratio is higher for smaller θB. At θB=30°, ion heating parallel to the magnetic field becomes dominant, associated with more ions being reflected at one discontinuity and subsequently trapped by the next discontinuity due to shock reformation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Parallel pumping of magnons in inhomogeneous spin textures probed through NV spin relaxometry

We combine micromagnetic simulations and nitrogen-vacancy (NV) defect center spin relaxometry measurements to study magnon modes in inhomogeneous spin textures. A thin, micrometer-scale ferromagnetic disk is magnetized in a vortex state in which the magnetization curls around a central core. Micromagnetic simulations show that at zero applied field, the magnetization dynamics of the disk consist of a low frequency gyrotropic mode and higher frequency azimuthal magnon modes, all far detuned from the NV spin transition frequencies. An in-plane static magnetic field breaks the azimuthal symmetry of the vortex state, resulting in the magnon modes transforming in frequency and spatial profile as the field increases. Experimentally, we probe the dynamics of vortex magnetization as a function of applied in-plane static field and ac driving frequency by optically monitoring a nearby NV defect center spin. At certain values of the applied magnetic field, we observe enhanced spin relaxation when driving at twice the frequency of the NV ground state spin transition in optically detected magnetic resonance measurements. We attribute this effect to parallel pumping of a magnon mode in the disk producing magnons at half the excitation frequency. Micromagnetic simulations support this finding, showing spatial and spectral overlap of a confined magnon mode and an NV spin transition, with sufficient interaction strength to explain the observed signal.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Cluster perturbation theory X: A parallel implementation of Lagrangian perturbation series for the coupled cluster singles and doubles ground-state energy through fifth order

We describe an efficient implementation of cluster perturbation and Møller-Plesset Lagrangian energy series through fifth order that target the coupled cluster singles and doubles energy utilizing the resolution of the identity approximation. We illustrate the computational performance of the implementation by performing ground state energy calculations on systems with up to 1200 basis functions using a single node and by comparison to conventional CCSD calculations. We further show that our hybrid MPI/OMP parallel implementation that also utilizes graphical processing units can be used to obtain fifth order energies on systems with almost 1200 basis functions with a 90 minute "time to solution" running on Frontier at Oak Ridge National Laboratory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗