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At least 73 records · Page 4

Topology optimization of compliant mechanisms under transient thermal conditions

This work considers multi-material topology optimization of compliant mechanisms under transient thermal and quasi-static mechanical conditions wherein thermally actuated devices are optimized for different operating conditions. The materials are modeled using finite strain thermo-hyperelasticity and a two way coupling between the energy balance and equilibrium equations is investigated. The design updates are generated from the gradient-based method of moving asymptotes optimizer and the sensitivities are computed using the time dependent adjoint sensitivity analysis. Results show the impact of designing for short versus long actuation times.

42 ENGINEERING↗

Near-axis expansion of stellarator equilibrium at arbitrary order in the distance to the axis

A direct construction of equilibrium magnetic fields with toroidal topology at arbitrary order in the distance from the magnetic axis is carried out, yielding an analytical framework able to explore the landscape of possible magnetic flux surfaces in the vicinity of the axis. This framework can provide meaningful analytical insight into the character of high-aspect-ratio stellarator shapes, such as the dependence of the rotational transform and the plasma beta limit on geometrical properties of the resulting flux surfaces. The approach developed here is based on an asymptotic expansion on the inverse aspect ratio of the ideal magnetohydrodynamics equation. The analysis is simplified by using an orthogonal coordinate system relative to the Frenet–Serret frame at the magnetic axis. The magnetic field vector, the toroidal magnetic flux, the current density, the field line label and the rotational transform are derived at arbitrary order in the expansion parameter. Moreover, a comparison with a near-axis expansion formalism employing an inverse coordinate method based on Boozer coordinates (the so-called Garren–Boozer construction) is made, where both methods are shown to agree at lowest order. Finally, as a practical example, a numerical solution using a W7-X equilibrium is presented, and a comparison between the lowest-order solution and the W7-X magnetic field is performed.

Physics↗

Bohm Criterion of Plasma Sheaths away from Asymptotic Limits

The plasma exit flow speed at the sheath entrance is constrained by the Bohm criterion. The so-called Bohm speed regulates the plasma particle and power exhaust fluxes to the wall, and it is commonly deployed as a boundary condition to exclude the sheath region in quasineutral plasma modeling. In this work, the Bohm criterion analysis is performed in the intermediate plasma regime away from the previously known limiting cases of adiabatic laws and the asymptotic limit of infinitesimal Debye length in a finite-size system, using the transport equations of an anisotropic plasma. The resulting Bohm speed has explicit dependence on local plasma heat flux, temperature isotropization, and thermal force. Comparison with kinetic simulations demonstrates its accuracy over the plasma-sheath transition region in which quasineutrality is weakly perturbed and the Bohm criterion applies.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Theoretical study of intrinsic defects in cubic silicon carbide 3C-SiC

Using the local moment counter charge (LMCC) method to accurately represent the asymptotic electrostatic boundary conditions within density functional theory supercell calculations, we present a comprehensive analysis of the atomic structure and energy levels of point defects in cubic silicon carbide (3C-SiC). Finding that the classical long-range dielectric screening outside the supercell induced by a charged defect is a significant contributor to the total energy. we describe and validate a modified Jost screening model to evaluate this polarization energy. This leads to bulk-converged defect levels in finite size supercells. With the LMCC boundary conditions and a standard Perdew-Burke-Ernzerhof (PBE) exchange correlation functional, the computed defect level spectrum exhibits no band gap problem: the range of defect levels spans ~2.4 eV, an effective defect band gap that agrees with the experimental band gap. Comparing with previous literature, our LMCC-PBE defect results are in consistent agreement with the hybrid-exchange functional results of Oda et al. [J. Chem. Phys. 139, 124707 (2013)] rather than their PBE results. The difference with their PBE results is attributed to their use of a conventional jellium approximation rather than the more rigorous LMCC approach for handling charged supercell boundary conditions. The difference between standard dft and hybrid functional results for defect levels lies not in a band gap problem but rather in solving a boundary condition problem. The LMCC-PBE entirely mitigates the effect of the band gap problem on defect levels. The more computationally economical PBE enables a systematic exploration of 3C-SiC defects, where, most notably, we find that the silicon vacancy undergoes Jahn-Teller-induced distortions from the previously assumed T d symmetry, and that the divacancy, like the silicon vacancy, exhibits a site-shift bistability in p -type conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Preparation of excited states for nuclear dynamics on a quantum computer

We study two different methods to prepare excited states on a quantum computer, a key initial step to study dynamics within linear response theory. The first method uses unitary evolution for a short time T = O(√1 - F) to approximate the action of an excitation operator Ô with fidelity F and success probability P ≈ 1 – F. The second method probabilistically applies the excitation operator using the Linear Combination of Unitaries (LCU) algorithm. We benchmark these techniques on emulated and real quantum devices, using a toy model for thermal neutron-proton capture. Despite its larger memory footprint, the LCU-based method is efficient even on current generation noisy devices and can be implemented at a lower gate cost than a naive analysis would suggest. Here, these findings show that quantum techniques designed to achieve good asymptotic scaling on fault tolerant quantum devices might also provide practical benefits on devices with limited connectivity and gate fidelity.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Finite-Time Analysis of Whittle Index based Q-Learning for Restless Multi-Armed Bandits with Neural Network Function Approximation

Whittle index policy is a heuristic to the intractable restless multi-armed bandits (RMAB) problem. Although it is provably asymptotically optimal, finding Whittle indices remains difficult. In this paper, we present Neural-Q-Whittle, a Whittle index based Q-learning algorithm for RMAB with neural network function approximation, which is an example of nonlinear two-timescale stochastic approximation with Q-function values updated on a faster timescale and Whittle indices on a slower timescale. Despite the empirical success of deep Q-learning, the non-asymptotic convergence rate of Neural-Q-Whittle, which couples neural networks with two-timescale Q-learning largely remains unclear. This paper provides a finite-time analysis of Neural-Q-Whittle, where data are generated from a Markov chain, and Q-function is approximated by a ReLU neural network. Our analysis leverages a Lyapunov drift approach to capture the evolution of two coupled parameters, and the nonlinearity in value function approximation further requires us to characterize the approximation error. Combing these provide Neural-Q-Whittle with convergence rate, where is the number of iterations.

reinforcement learning, structured learning, conve↗

Excitation spectra of quantum matter without quasiparticles. I. Sachdev-Ye-Kitaev models

Here, we study the low-frequency spectra of complex Sachdev-Ye-Kitaev models at general densities. The analysis applies also to SU(M) magnets with random exchange at large M. The spectral densities are computed by numerical analysis of the saddle-point equations on the real frequency ω axis at zero temperature T. The asymptotic low-ω behaviors are found to be in excellent agreement with the scaling dimensions of irrelevant operators which perturb the conformally invariant critical states. Of possible experimental interest is our computation of the universal spin spectral weight of the SU(M) magnets at low ω and T; this includes a contribution from the time reparametrization mode, which is the boundary graviton of the holographic dual. This analysis is extended to a random t-J model in the following paper [M. Tikhanovskaya et al., following paper, Phys. Rev. B 103, 075142 (2021)].

36 MATERIALS SCIENCE↗

Integration of Online Cross-Section Generation Capability with Depletion and Transient Solvers in Griffin

Griffin is a Multiphysics Object-Oriented Simulation Environment (MOOSE)-based reactor multiphysics analysis application jointly developed by Argonne and Idaho National Laboratories under the DOENE Nuclear Energy Advanced Modeling and Simulation (NEAMS) program. In FY25, an online crosssection generation capability based on the Self-Shielding Application Programming Interface (SSAPI) was demonstrated for TRISO-fueled reactor problems under steady-state conditions. This fiscal year, that capability was extended to support depletion and transient multiphysics calculations, enabling high-fidelity analyses that generate self-shielded cross sections on the fly from the actual evolving composition and temperature states rather than from pre-tabulated libraries. For depletion, a two-way coupling was established in which SSAPI computes compact-averaged self-shielded cross sections that the depletion solver then uses to advance the Bateman equations, with the updated compositions returned to SSAPI at each step; the depletion module was refactored to support both library-based and SSAPI-based cross sections, and additional logic was added to track daughter isotopes and to exclude minor isotopes for efficiency. For transient analysis, the SSAPI multigroup library was extended with the kinetics data required for time-dependent calculations, the Improved Quasi-Static (IQS) scheme was coupled with SSAPI, and several supporting capabilities were implemented, including a self-shielding treatment that lets control rods and drums move within a self-shielded model, which had previously been impossible and had ruled out rod- and drum-movement transients with on-the-fly cross sections altogether, a new mixing scheme for delayed-neutron precursor decay constants, a checkpoint-based restart workflow, and performance improvements such as pointwise cross-section interpolation and the bypassing of unnecessary Dancoff factor calculations. The implemented capabilities were verified against Serpent Monte Carlo solutions. For depletion, a prismatic pin-cell problem based on a Next Generation Nuclear Plant (NGNP) Very High Temperature Reactor benchmark showed excellent agreement, with eigenvalue differences within 200 pcm over the entire burnup range (up to 140 MWD/kgU) and fission-product and actinide inventories agreeing to within 0.8% and 2.5%, respectively; a heat-pipe microreactor assembly problem with a much higher fuel loading confirmed the same behavior and quantified the bias introduced when the multigroup equivalence effect is neglected. For transient analysis, a pin-cell problem with a step reactivity insertion and temperature feedback reproduced the analytically expected asymptotic power and showed close agreement between the direct and IQS solutions, and a two-dimensional microreactor core problem with control-drum rotation exercised the new moving-drum self-shielding treatment and demonstrated successful coupling of the online crosssection generation with both the direct and IQS transient methods. The capability was further exercised on a full-core pebble-bed problem, in which Griffin was coupled with the System Analysis Module (SAM) to simulate load-following operation of the gPBR with the Doppler feedback resolved at the TRISO fuel kernel temperature. These developments in Griffin provide a convenient, high-fidelity approach to cross-section generation for advanced thermal reactors with geometrically complex and highly heterogeneous configurations, including TRISO-fueled prismatic and pebble-bed systems, and support steady-state, depletion, and transient multiphysics calculations. They also enable self-shielded cross sections to be evaluated directly at the actual coupled state of the system, thereby establishing a foundation for high-fidelity, fully coupled multiphysics analysis of advanced reactors

Park, H.↗

Stopping to reflect: Asymptotic static moving mirrors as quantum analogs of classical radiation

Radiation from an accelerating charge is a basic process that can serve as an intersection between classical and quantum physics. We present two exactly soluble electron trajectories that permit analysis of the radiation emitted, exploring its time evolution and spectrum by analogy with the moving mirror model of the dynamic Casimir effect. These classical solutions are finite energy, rectilinear (nonperiodic), asymptotically zero velocity worldlines with corresponding quantum analog beta Bogolyubov coefficients. One of them has an interesting connection to uniform acceleration and Leonardo da Vinci's water pitcher experiment.

79 ASTRONOMY AND ASTROPHYSICS↗

Accurate Efficiency Measurements for Emerging PV: A Comparison of NREL's Steady-State Performance Calibration Protocol Between Conventional and Emerging PV Technologies

Emerging PV technologies (e.g. Perovskite, and Quantum Dot) are commonly known to possess challenges for accurate performance measurement under the existing IEC 60904 series of standards, which were developed for conventional Si solar cells. Potential performance artifacts depending on scan rates and directions and light bias exposure history are often seen in those emerging solar cells. To avoid these artifacts and provide an unbiased and reliable efficiency measurement, NREL's Cell and Module Performance (CMP) Group has developed a steady-state performance calibration protocol - the asymptotic P MAX method. In this paper, we applied this procedure to four PV cell technologies, Si, CIGS, perovskite, and Quantum Dot (QD), and compared their performance variations between the transient and the steady-state conditions. By comparison, we found that the performance parameters ( i.e. V OC , I SC , FF, ..eta..) measured between fast I-V scans (and the asymptotic method (steady-state) change significantly for perovskite and QD cells. These changes do not happen for Si and CIGS cells. Furthermore, the statistical performance analysis on nearly 100 emerging cells received globally (including OPV, Perovskite, and QD) shows that over 70 % of the fast I-V scans have a relative performance deviation larger than 1% compared to those determined using the asymptotic P MAX scan. Given the complex dynamic behavior observed in emerging PV devices, the CMP group at NREL thus only certifies their steady steady-state performance using the Asymptotic P MAX method. We highly recommend similar steady-state performance calibration protocol for all researchers in emerging PV because accuracy in reported efficiencies is critical to the long-term success of those promising new PV technologies.

41 EE - Solar Energy Technologies Office (EE-4S)↗

Stable compression of a spherical tokamak plasma

In this study, an analysis of toroidal plasma compression by a collapsing flux conserver reveals linearly stable scenarios of operation to high compression ratios. The resistive and ideal MHD stability is calculated in full toroidal geometry using the asymptotic matching method in realistic conditions. A time dependent MHD simulation of the compression is conducted to confirm the conservation principles used to calculate the equilibrium states for the analysis. The near edge current profile, controlled by toroidal field ramping during compression, is shown to be critical to stability due to coupling between poloidal components of the least stable mode. Two cases with slight differences in edge current are examined, one with a stable corridor to high compression and one without.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Asymptotically Compatible Reproducing Kernel Collocation and Meshfree Integration for Nonlocal Diffusion

Reproducing kernel (RK) approximations are meshfree methods that construct shape functions from sets of scattered data. We present an asymptotically compatible (AC) RK collocation method for nonlocal diffusion models with Dirichlet boundary condition. The numerical scheme is shown to be convergent to both nonlocal diffusion and its corresponding local limit as nonlocal interaction vanishes. The analysis is carried out on a special family of rectilinear Cartesian grids for a linear RK method with designed kernel support. The key idea for the stability of the RK collocation scheme is to compare the collocation scheme with the standard Galerkin scheme, which is stable. In addition, assembling the stiffness matrix of the nonlocal problem requires costly computational resources because high-order Gaussian quadrature is necessary to evaluate the integral. We thus provide a remedy to the problem by introducing a quasi-discrete nonlocal diffusion operator for which no numerical quadrature is further needed after applying the RK collocation scheme. The quasi-discrete nonlocal diffusion operator combined with RK collocation is shown to be convergent to the correct local diffusion problem by taking the limits of nonlocal interaction and spatial resolution simultaneously. The theoretical results are then validated with numerical experiments. We additionally illustrate a connection between the proposed technique and an existing optimization based approach based on generalized moving least squares.

97 MATHEMATICS AND COMPUTING↗

Spectroscopic factors, overlaps, and isospin symmetry from an R -matrix point of view

Background: Spectroscopic factors, overlaps, and isospin symmetry are often used in conjunction with single-particle wave functions for the phenomenological analysis of nuclear structure and reactions. Many differing prescriptions for connecting these quantities to physically relevant asymptotic normalization constants or widths are available in the literature, but their relationship and degree of validity are not always clear. Purpose: This paper derives relationships among the above quantities of interest using well-defined methodology and starting assumptions. Method: R -matrix theory is used as the primary tool to interoperate among the quantities of interest to this work. Particular attention is paid to effects arising from beyond the nuclear surface, where isospin symmetry is strongly violated. Results: Relationships between the quantities of interest are derived. Example applications of these methods to mirror levels in nucleon + 12 C, nucleon + 16 O, and nucleon + 26 Al are presented. A new approach to multilevel mirror symmetry is derived and applied to the first three 2 + states of 18 O and 18 Ne. Conclusions: In this work, the relationship between the quantities of interest is clarified and certain procedures are recommended. It is found that the asymptotic normalization constant of the second 2 + state in 18 Ne deduced from the mirror state in 18 O is significantly larger than found in previous work. This finding has the effect of increasing the 17 F($\textit{p,γ}$) 18 Ne reaction rate in novae.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Transversity Distributions and Tensor Charges of the Nucleon: Extraction from Dihadron Production and Their Universal Nature

We perform the first global quantum chromodynamics (QCD) analysis of dihadron production for a comprehensive set of data in electron-positron annihilation, semi-inclusive deep-inelastic scattering, and proton-proton collisions, from which we extract simultaneously the transversity distributions of the nucleon and π + π − dihadron fragmentation functions. We incorporate in our fits known theoretical constraints on transversity, namely, its small- x asymptotic behavior and the Soffer bound. We furthermore show that lattice-QCD results for the tensor charges can be successfully included in the analysis. This resolves the previously reported incompatibility between the tensor charges extracted from dihadron production data and lattice QCD. We also find agreement with results for the transversity and tensor charges obtained from measurements on single-hadron production. Overall, our work demonstrates for the first time the universal nature of all available information for the transversity distributions and the tensor charges of the nucleon. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Hierarchical Bayesian Inverse Problems: A High-Dimensional Statistics Viewpoint

This paper analyzes hierarchical Bayesian inverse problems using techniques from highdimensional statistics. Furthermore, our analysis leverages a property of hierarchical Bayesian regularizers that we call approximate decomposability to obtain non-asymptotic bounds on the reconstruction error attained by maximum a posteriori estimators. The new theory explains how hierarchical Bayesian models that exploit sparsity, group sparsity, and sparse representations of the unknown parameter can achieve accurate reconstructions in high-dimensional settings.

MAP estimation↗

Stability and Performance of an Undersea Kite Operating in a Turbulent Flow Field

In this paper, we examine the effects of flow disturbances resulting from turbulence on the dynamic behavior of an underwater energy-harvesting kite system that executes periodic figure-8 flight. Due to the periodic nature of the kite’s operation, we begin by assessing orbital stability using the Floquet analysis and stroboscopic intersection analysis of a Poincaré section, with the former analysis performed on a simplified “unifoil” model and the latter performed on a six-degree-of-freedom (6-DOF)/flexible tether model. With periodic stability established, a frequency-domain analysis based on a linearization about the kite’s path is used to predict the quality of flight path tracking as a function of the turbulence frequency. To validate the accuracy of these simulation-based predictions under flow disturbances, we compare the predictions of the kite’s behavior against the results of small-scale tow testing experiments performed in a controlled pool environment.

13 HYDRO ENERGY↗

Asymptotically compatible reproducing kernel collocation and meshfree integration for the peridynamic Navier equation

Here, we study reproducing kernel (RK) collocation method for peridynamic Navier equation. In the first part, we apply a linear RK approximation to both displacement and dilatation, and then back-substitute dilatation and solve the peridynamic Navier equation in a pure displacement form. The RK collocation scheme converges to the nonlocal limit for a fixed nonlocal interaction length and also to the local limit as nonlocal interactions vanish. The stability is shown by comparing the collocation scheme with the standard Galerkin scheme using Fourier analysis. In the second part, we apply the RK collocation to the quasi-discrete peridynamic Navier equation and show its convergence to the correct local limit when the ratio between the nonlocal length scale and the discretization parameter is fixed. The analysis is carried out on a special family of rectilinear Cartesian grids for the RK collocation method with a designated kernel with finite support. We assume the Lamé parameters satisfy λ ≥ μ to avoid extra assumptions on the nonlocal kernel. Finally, numerical experiments are conducted to validate the theoretical results.

42 ENGINEERING↗

Connecting ground-state properties of 6 Li to each other and to scattering data

We examine the relationship between the asymptotic normalization coefficient (ANC) of 6 Li and other low-energy observables in the α–deuteron system. Our analysis uses a set of calculations carried out within the ab initio no core shell model with continuum (NCSMC) using a variety of inter-nucleon interactions and basis sizes, and yielding 6 Li deuteron separation energies between 1.3 and 1.8 MeV (Hebborn et al 2022 Phys. Rev. Lett. 129 042503). These NCSMC calculations show that the square of the ANC is strongly correlated with the separation energy over this range. In this work, we investigate the origin of this correlation using the phenomenological R-matrix, a single-channel potential and a perturbative approach. We show that this correlation occurs because the depth of the α–deuteron central potential changes by only a small relative amount as the separation energy varies. We then investigate if the ANC can be accurately extracted from α–deuteron phase shifts in an ideal case in which low-energy data are available and there are no experimental errors. We find that both R-matrix and Coulomb-modified effective-range theory (CM-ERE) yield extracted ANCs close to, although not exactly equal to, the NCSMC value, provided the extrapolation is constrained by the known position of the bound-state pole and at least three terms are included in the fit function. The R-matrix approach converges faster than the CM-ERE as the number of parameters increases and is also more robust against the inclusion of low-energy and high-energy phase shift data. Finally, our study also shows that a naive quantification of uncertainties by comparing different truncations used in both theories is not accurate, and suggests the accuracy of ANCs extracted from phase shift data needs further investigation.

R-matrix↗