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At least 1,117 records · Page 62

Quantum computing for fusion energy science applications

This is a review of recent research exploring and extending present-day quantum computing capabilities for fusion energy science applications. We begin with a brief tutorial on both ideal and open quantum dynamics, universal quantum computation, and quantum algorithms. Then, we explore the topic of using quantum computers to simulate both linear and nonlinear dynamics in greater detail. Because quantum computers can only efficiently perform linear operations on the quantum state, it is challenging to perform nonlinear operations that are generically required to describe the nonlinear differential equations of interest. In this work, we extend previous results on embedding nonlinear systems within linear systems by explicitly deriving the connection between the Koopman evolution operator, the Perron–Frobenius evolution operator, and the Koopman–von Neumann evolution (KvN) operator. We also explicitly derive the connection between the Koopman and Carleman approaches to embedding. Extension of the KvN framework to the complex-analytic setting relevant to Carleman embedding, and the proof that different choices of complex analytic reproducing kernel Hilbert spaces depend on the choice of Hilbert space metric are covered in the appendixes. Finally, we conclude with a review of recent quantum hardware implementations of algorithms on present-day quantum hardware platforms that may one day be accelerated through Hamiltonian simulation. We discuss the simulation of toy models of wave–particle interactions through the simulation of quantum maps and of wave–wave interactions important in nonlinear plasma dynamics.

Joseph, I. (ORCID:0000000255400840)↗

Lightweight and effective tensor sensitivity for atomistic neural networks

Atomistic machine learning focuses on the creation of models that obey fundamental symmetries of atomistic configurations, such as permutation, translation, and rotation invariances. In many of these schemes, translation and rotation invariance are achieved by building on scalar invariants, e.g., distances between atom pairs. There is growing interest in molecular representations that work internally with higher rank rotational tensors, e.g., vector displacements between atoms, and tensor products thereof. Here, we present a framework for extending the Hierarchically Interacting Particle Neural Network (HIP-NN) with Tensor Sensitivity information (HIP-NN-TS) from each local atomic environment. Crucially, the method employs a weight tying strategy that allows direct incorporation of many-body information while adding very few model parameters. We show that HIP-NN-TS is more accurate than HIP-NN, with negligible increase in parameter count, for several datasets and network sizes. As the dataset becomes more complex, tensor sensitivities provide greater improvements to model accuracy. In particular, HIP-NN-TS achieves a record mean absolute error of 0.927 $\frac{\text{kcal}}{\text{mol}}$ for conformational energy variation on the challenging COMP6 benchmark, which includes a broad set of organic molecules. We also compare the computational performance of HIP-NN-TS to HIP-NN and other models in the literature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Direct numerical simulation of open-channel flow over a heterogeneous particle bed at low relative submergence

In this article, this study investigates turbulent open-channel flows over beds of irregularly arranged particles, using direct numerical simulations at a friction Reynolds number of Re T = 300⁠. Two distinct cases are examined: a polydisperse bed (P800) composed of multiple layers of randomly distributed spheres of varying sizes, and a monodisperse bed (M1015) formed by a random distribution of uniform sized spheres, with a bottommost single layer of varied-sized particles to introduce realistic randomness. Our investigation unveils a rich network of low- and high-speed streaks within the flow field, exhibiting distinctive behaviors in different bed configurations. The P800 case presents a poorly organized flow pattern induced by the varied particle sizes and arrangements, while the M1015 case shows a more regular flow pattern, marked by larger streaks. We also observe that total wall shear stress is substantially influenced by surface roughness-induced drag, extending beyond the effects documented in existing studies of open-channel flows. The present study reveals intricate secondary flow patterns over irregular particle beds. Large-scale circulations are discerned around particle crests in the P800 case and localized circulations with increased turbulence in the M1015 case. Furthermore, analysis of Reynolds stress tensor components indicates that roughness disrupts coherent turbulent eddies, consequently mitigating peak stress. We quantify correlations between drag force and local fluid velocity fluctuations. Notably, a larger deviation in drag is observed in the P800 case compared to M1015, accentuating the influence of particle size and distribution on fluid–particle interactions.

42 ENGINEERING↗

Simulation of electron Bernstein waves using FullWave with a 2D non-local hot plasma model

Hot plasma wave simulation capability is expanded in the FullWave code by updating the hybrid iterative solver in the code with a semi-implicit time stepping method. The new approach is used to simulate Electron Bernstein Wave (EBW) heating in over-dense spherical tokamak plasmas. The code’s hybrid iterative solver circumvents the prohibitive memory cost of direct methods by combining a time evolution of Maxwell’s equations with frequency-domain relaxation, while the conductivity kernel, calculated via 3D particle tracking, captures the essential non-local wave–particle interactions. One-dimensional EBW simulations verify the algorithm’s accuracy by demonstrating mode conversion from X-mode wave to EBW at the upper hybrid resonance and a strong cyclotron damping near the plasma core. Two-dimensional simulation reproduces the predicted short EBW wavelength and quantitatively matches the hot-plasma dispersion relation. This study demonstrates the fidelity of the hybrid solver for the electron cyclotron frequency range.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Size-dependent dynamic structures of supported gold nanoparticles in CO oxidation reaction condition

Significance Gold is the noblest metal. However, when the size decreases to nanoscale and is supported on reducible oxides, the gold nanoparticle shows exceptionally high catalytic performance even at low temperatures. Here, through state-of-the-art in situ aberration-corrected environmental transmission electron microscopy and ab initio molecular-dynamic simulations, we discovered that, upon exposing to reactant gas (carbon monoxide and oxygen), ultrasmall gold clusters on ceria show a size-dependent order-to-disorder transformation with generation of dynamic low-coordinated atoms, which presumably can effectively boost the oxidation reaction of carbon monoxide. The findings provide much-needed insights on the origin of size-dependent catalytic properties of supported gold and demonstrate a size effect in absorbent–particle interactions that may widely exist and play an essential role in heterogeneous catalysts.

He, Yang↗

Crumpling of silver nanowires by endolysosomes strongly reduces toxicity

Fibrous particles interact with cells and organisms in complex ways that can lead to cellular dysfunction, cell death, inflammation, and disease. The development of conductive transparent networks (CTNs) composed of metallic silver nanowires (AgNWs) for flexible touchscreen displays raises new possibilities for the intimate contact between novel fibers and human skin. Here, we report that a material property, nanowire-bending stiffness that is a function of diameter, controls the cytotoxicity of AgNWs to nonimmune cells from humans, mice, and fish without deterioration of critical CTN performance parameters: electrical conductivity and optical transparency. Both 30- and 90-nm-diameter AgNWs are readily internalized by cells, but thinner NWs are mechanically crumpled by the forces imposed during or after endocytosis, while thicker nanowires puncture the enclosing membrane and release silver ions and lysosomal contents to the cytoplasm, thereby initiating oxidative stress. This finding extends the fiber pathology paradigm and will enable the manufacture of safer products incorporating AgNWs.

60 APPLIED LIFE SCIENCES↗

Moving beyond the constraints of chemistry via crystal structure discovery with isotropic multiwell pair potentials

The rigid constraints of chemistry-dictated by quantum mechanics and the discrete nature of the atom-limit the set of observable atomic crystal structures. What structures are possible in the absence of these constraints? Here, we systematically crystallize one-component systems of particles interacting with isotropic multiwell pair potentials. We investigate two tunable families of pairwise interaction potentials. Our simulations self-assemble a multitude of crystal structures ranging from basic lattices to complex networks. Sixteen of the structures have natural analogs spanning all coordination numbers found in inorganic chemistry. Fifteen more are hitherto unknown and occupy the space between covalent and metallic coordination environments. The discovered crystal structures constitute targets for self-assembly and expand our understanding of what a crystal structure can look like.

crystal structures↗

Landau resonant modification of multiple kink mode contributions to 3D tokamak equilibria

Detailed measurements of the plasma's response to applied magnetic perturbations provide experimental evidence that the form of three-dimensional (3D) tokamak equilibria, with toroidal mode number n = 1, is determined by multiple stable kink modes at high-pressure. For pressures greater than the ideal magnetohydrodynamic (MHD) stability limit, as calculated without a stabilizing wall, the 3D structure transitions in a way that is qualitatively predicted by an extended MHD model that includes kinetic wave-particle interactions. These changes in poloidal mode structure are correlated with the proximity of rotation profiles to thermal ion bounce and the precession drift frequencies suggesting that these kinetic resonances are modifying the relative amplitudes of the stable modes. These results imply that each kink may eventually be independently controlled.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

ENERGY DISSIPATION PROCESSES IN SOLAR WIND TURBULENCE

Turbulence is a chaotic flow regime filled by irregular flows. The dissipation of turbulence is a fundamental problem in the realm of physics. Theoretically, dissipation ultimately cannot be achieved without collisions, and so how turbulent kinetic energy is dissipated in the nearly collisionless solar wind is a challenging problem. Wave particle interactions and magnetic reconnection (MR) are two possible dissipation mechanisms, but which mechanism dominates is still a controversial topic. Here we analyze the dissipation region scaling around a solar wind MR region. We find that the MR region shows unique multifractal scaling in the dissipation range, while the ambient solar wind turbulence reveals a monofractal dissipation process for most of the time. These results provide the first observational evidences for intermittent multifractal dissipation region scaling around a MR site, and they also have significant implications for the fundamental energy dissipation process.

79 ASTRONOMY AND ASTROPHYSICS↗

Non-close-packed three-dimensional quasicrystals

Quasicrystals are frequently encountered in condensed matter. They are important candidates for equilibrium phases from the atomic scale to the nanoscale. Here, we investigate the computational self-assembly of four quasicrystals in a single model system of identical particles interacting with a tunable isotropic pair potential. We reproduce a known icosahedral quasicrystal and report a decagonal quasicrystal, a dodecagonal quasicrystal, and an octagonal quasicrystal. The quasicrystals have low coordination number or occur in systems with mesoscale density variations. We also report a network gel phase.

Physics↗

Numerical-heating effects in atmospheric pressure streamer discharges simulated with a PIC code

Artificial heating in plasma simulations is a well-known phenomenon which occurs when, among other things, the Debye length is poorly resolved by the simulation mesh. Here, in this work, the degree to which numerical-heating occurs during a simulation of a nanosecond atmospheric pressure streamer discharge is examined. The streamer is simulated using a two-dimensional finite-element, particle-in-cell code Empire, which uses direct simulation Monte Carlo for binary particle interactions. Initially, an estimate of the numerical-heating rate applied to Empire is performed using a simple plasma model. Second, a positive atmospheric pressure streamer discharge simulation is performed to study the effects of numerical heating on plasma density, electron temperature, and streamer velocity. The nominal Debye length is approximately 1 μm and the amount of numerical heating introduced in the simulation is varied by using mesh sizes ranging from 2 μm to 20 μm. A measurable numerical heating quantity is proposed that can be used to estimate the appropriate element size and quantify the numerical-heating that can be expected over the simulation time for an atmospheric pressure streamer. In conclusion while Δx/λ D violations can be an issue it is not likely to be an issue with streamer discharges that are temporally short and occur in environments where collision frequencies are high. This result validates the rationale of grid size choices for a large amount of previously published works where Δx/λ D violation was not clearly addressed. Primary finding of this work is that numerical heating is of minor concern for plasma simulations where electron–neutral collisions are numerous such that multiple collisions can occur within a single plasma period.

Nikic, Dejan [University of New Mexico, Albuquerqu↗

Constraining the neutrino magnetic dipole moment from white dwarf pulsations

Pulsating white dwarf stars can be used as astrophysical laboratories to constrain the properties of weakly interacting particles. Comparing the cooling rates of these stars with the expected values from theoretical models allows us to search for additional sources of cooling due to the emission of axions, neutralinos, or neutrinos with magnetic dipole moment. In this work, we derive an upper bound to the neutrino magnetic dipole moment (μ{sub ν}) using an estimate of the rate of period change of the pulsating DB white dwarf star PG 1351+489. We employ state-of-the-art evolutionary and pulsational codes which allow us to perform a detailed asteroseismological period fit based on fully DB white dwarf evolutionary sequences. Plasmon neutrino emission is the dominant cooling mechanism for this class of hot pulsating white dwarfs, and so it is the main contributor to the rate of change of period with time (Pidot) for the DBV class. Thus, the inclusion of an anomalous neutrino emission through a non-vanishing magnetic dipole moment in these sequences notably influences the evolutionary timescales, and also the expected pulsational properties of the DBV stars. By comparing the theoretical Pidot value with the rate of change of period with time of PG 1351+489, we assess the possible existence of additional cooling by neutrinos with magnetic dipole moment. Our models suggest the existence of some additional cooling in this pulsating DB white dwarf, consistent with a non-zero magnetic dipole moment with an upper limit of μ{sub ν} ∼< 10{sup -11} μ{sub B}. This bound is somewhat less restrictive than, but still compatible with, other limits inferred from the white dwarf luminosity function or from the color-magnitude diagram of the Globular cluster M5. Further improvements of the measurement of the rate of period change of the dominant pulsation mode of PG 1351+489 will be necessary to confirm our bound.

79 ASTRONOMY AND ASTROPHYSICS↗

Revisiting the axion bounds from the Galactic white dwarf luminosity function

It has been shown that the shape of the luminosity function of white dwarfs (WDLF) is a powerful tool to check for the possible existence of DFSZ-axions, a proposed but not yet detected type of weakly interacting particles. With the aim of deriving new constraints on the axion mass, we compute in this paper new theoretical WDLFs on the basis of WD evolving models that incorporate the feedback of axions on the thermal structure of the white dwarf. We find that the impact of the axion emission into the neutrino emission can not be neglected at high luminosities M{sub Bol}∼< 8) and that the axion emission needs to be incorporated self-consistently into the evolution of the white dwarfs when dealing with axion masses larger than m{sub a} cos {sup 2}β∼> 5 meV (i.e. axion-electron coupling constant g{sub ae}∼> 1.4× 10{sup -13}). We went beyond previous works by including 5 different derivations of the WDLF in our analysis. Then we have performed χ{sup 2}-tests to have a quantitative measure of the agreement between the theoretical WDLFs — computed under the assumptions of different axion masses and normalization methods --- and the observed WDLFs of the Galactic disk. While all the WDLF studied in this work disfavour axion masses in the range suggested by asteroseismology m{sub a} cos {sup 2}β∼> 10 meV; g{sub ae}∼> 2.8× 10{sup -13}) lower axion masses can not be discarded from our current knowledge of the WDLF of the Galactic Disk. A larger set of completely independent derivations of the WDLF of the galactic disk as well as a detailed study of the uncertainties of the theoretical WDLFs is needed before quantitative constraints on the axion-electron coupling constant can be made.

79 ASTRONOMY AND ASTROPHYSICS↗

New axion and hidden photon constraints from a solar data global fit

We present a new statistical analysis that combines helioseismology (sound speed, surface helium and convective radius) and solar neutrino observations (the {sup 8}B and {sup 7}Be fluxes) to place upper limits to the properties of non standard weakly interacting particles. Our analysis includes theoretical and observational errors, accounts for tensions between input parameters of solar models and can be easily extended to include other observational constraints. We present two applications to test the method: the well studied case of axions and axion-like particles and the more novel case of low mass hidden photons. For axions we obtain an upper limit at 3σ for the axion-photon coupling constant of g{sub aγ} < 4.1 · 10{sup −10} GeV{sup −1}. For hidden photons we obtain the most restrictive upper limit available accross a wide range of masses for the product of the kinetic mixing and mass of χ m < 1.8 ⋅ 10{sup −12} eV at 3σ. Both cases improve the previous solar constraints based on the Standard Solar Models showing the power of using a global statistical approach.

79 ASTRONOMY AND ASTROPHYSICS↗

Mixed dark matter in left-right symmetric models

Motivated by the recently reported diboson and dijet excesses in Run 1 data at ATLAS and CMS, we explore models of mixed dark matter in left-right symmetric theories. In this study, we calculate the relic abundance and the elastic scattering cross section with nuclei for a number of dark matter candidates that appear within the fermionic multiplets of left-right symmetric models. In contrast to the case of pure multiplets, WIMP-nucleon scattering proceeds at tree-level, and hence the projected reach of future direct detection experiments such as LUX-ZEPLIN and XENON1T will cover large regions of parameter space for TeV-scale thermal dark matter. Decays of the heavy charged W{sup ′} boson to particles in the dark sector can potentially shift the right-handed gauge coupling to larger values when fixed to the rate of the Run 1 excesses, moving towards the theoretically attractive scenario, g{sub R}=g{sub L}. This region of parameter space may be probed by future collider searches for new Higgs bosons or electroweak fermions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Neutrino dynamics below the electroweak crossover

We estimate the thermal masses and damping rates of active (m< eV) and sterile (M∼ GeV) neutrinos with thermal momenta k∼3T at temperatures below the electroweak crossover (5 GeV 130 GeV remains an option. Our differential rates are tabulated in a form suitable for studies of specific scenarios with given neutrino Yukawa matrices.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Effect of electromagnetic dipole dark matter on energy transport in the solar interior

In recent years, a revised set of solar abundances has led to a discrepancy in the sound-speed profile between helioseismology and theoretical solar models. Conventional solutions require additional mechanisms for energy transport within the Sun. Vincent et al. have recently suggested that dark matter with a momentum or velocity dependent cross section could provide a solution. In this work, we consider three models of dark matter with such cross sections and their effect on the stellar structure. In particular, the three models incorporate dark matter particles interacting through an electromagnetic dipole moment: an electric dipole, a magnetic dipole or an anapole. Each model is implemented in the DarkStec stellar evolution program, which incorporates the effects of dark matter capture and heat transport within the solar interior. We show that dark matter with an anapole moment of ∼ 1 GeV{sup −2} or magnetic dipole moment of ∼ 10{sup −3}μ {sub p} can improve the sound-speed profile, small frequency separations and convective zone radius with respect to the Standard Solar Model. However, the required dipole moments are strongly excluded by direct detection experiments.

79 ASTRONOMY AND ASTROPHYSICS↗

DaMaSCUS: the impact of underground scatterings on direct detection of light dark matter

Conventional dark matter direct detection experiments set stringent constraints on dark matter by looking for elastic scattering events between dark matter particles and nuclei in underground detectors. However these constraints weaken significantly in the sub-GeV mass region, simply because light dark matter does not have enough energy to trigger detectors regardless of the dark matter-nucleon scattering cross section. Even if future experiments lower their energy thresholds, they will still be blind to parameter space where dark matter particles interact with nuclei strongly enough that they lose enough energy and become unable to cause a signal above the experimental threshold by the time they reach the underground detector. Therefore in case dark matter is in the sub-GeV region and strongly interacting, possible underground scatterings of dark matter with terrestrial nuclei must be taken into account because they affect significantly the recoil spectra and event rates, regardless of whether the experiment probes DM via DM-nucleus or DM-electron interaction. To quantify this effect we present the publicly available Dark Matter Simulation Code for Underground Scatterings (DaMaSCUS), a Monte Carlo simulator of DM trajectories through the Earth taking underground scatterings into account. Our simulation allows the precise calculation of the density and velocity distribution of dark matter at any detector of given depth and location on Earth. The simulation can also provide the accurate recoil spectrum in underground detectors as well as the phase and amplitude of the diurnal modulation caused by this shadowing effect of the Earth, ultimately relating the modulations expected in different detectors, which is important to decisively conclude if a diurnal modulation is due to dark matter or an irrelevant background.

79 ASTRONOMY AND ASTROPHYSICS↗