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At least 343 records · Page 19

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DOE OSTI2021

Superconductivity, charge density waves, and bipolarons in the Holstein model

The electron-phonon ( e-ph ) interaction remains of great interest in condensed matter physics and plays a vital role in realizing superconductors, charge density waves (CDW), and polarons. We study the two-dimensional Holstein model for e-ph coupling using determinant quantum Monte Carlo across a wide range of its phase diagram as a function of temperature, electron density, dimensionless e-ph coupling strength, and the adiabatic ratio of the phonon frequency to the Fermi energy. We describe the behavior of the CDW correlations, the competition between superconducting and CDW orders and polaron formation, the optimal conditions for superconductivity, and the transition from the weak-coupling regime to the strong-coupling regime. Superconductivity is optimized at intermediate e-ph coupling strength and intermediate electron density, and the superconducting correlations increase monotonically with phonon frequency. The global maximum for superconductivity in the Holstein model occurs at large phonon frequency, the limit where an attractive Hubbard model effectively describes the physics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2026

Comparison between Alcator C-Mod ICRF experiments and 3D full wave simulations

Reliable modeling of ion cyclotron range of frequencies (ICRF) antenna performance is essential for interpreting present experiments and guiding the design of future reactors. In this work, a 3D model of the Alcator C-Mod field-aligned antenna is implemented in the Petra-M finite-element framework [S. Shiraiwa et al 2023 Nucl. Fusion 63 026024] and benchmarked against experimental results. Four experimental cases are examined. First, the simulated rectified sheath potentials on the antenna limiters are compared with measurements from a power tapering experiment. Second, proof-of-principle far-field sheath simulations are performed. In scenarios with low single-pass absorption, simulations predict enhanced sheath potentials on a distant poloidal limiter in the far field of the antenna, consistent with experimental observations. Third, the simulated antenna loading during edge localized modes follows experimental trends and appears to be dominated by the density gradient at the pedestal. Finally, Petra-M predicts the unintended excitation of high-$k$ ∥ modes during monopole phasing operation, in agreement with experimental evidence of poor wave coupling and accessibility to the plasma core. Overall, reasonable agreement is found between the simulations and experiments. At the same time, areas of imperfect agreement are identified. These provide important guidance on the limits of the current state-of-the-art modeling, which should be kept in mind when using it as a predictive tool for future reactors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Filamentation and focusing of electron beams due to interactions with plasma waves

Results of numerical modeling of the interaction of an electron beam propagating across relativistic plasma waves indicate that electron beam filamentation and focusing may occur under certain conditions. The model is based on solving the relativistic equation of motion in three dimensions for the individual electrons in a tenuous Gaussian beam, as they pass through a relativistic plasma wave. Several electron beam and plasma wave parameters were varied, and the results are summarized. One of the results is that the spacing of the electron beam filaments correlates with the wavelength of the plasma wave. The electron beam filaments appear as vertical slabs after the beam exits the plasma waves. The electron beam also compresses to a focus after it exits the plasma, and the focal distance depends on several parameters including the electron beam energy and phase velocity of the relativistic plasma wave. It is suggested that these focusing and filamentation phenomena may be the basis for diagnostics schemes for laser plasma interactions. The parameters used in the model were electron beam energies in the 5–50 keV range and plasma wave properties typical for the beat-wave produced by CO2 lasers, which correspond to the facilities available in our laboratory. The limitations of these results to lower energy density beam and plasma regimes and to higher energy density regimes will be discussed.

47 OTHER INSTRUMENTATION↗

DOE OSTI2023

Inhomogeneous Enrichment of Radioactive Nuclei in the Galaxy: Deposition of Live 53 Mn, 60 Fe, 182 Hf, and 244 Pu into Deep-sea Archives. Surfing the Wave?

Abstract While modeling the galactic chemical evolution (GCE) of stable elements provides insights to the formation history of the Galaxy and the relative contributions of nucleosynthesis sites, modeling the evolution of short-lived radioisotopes (SLRs) can provide supplementary timing information on recent nucleosynthesis. To study the evolution of SLRs, we need to understand their spatial distribution. Using a three-dimensional GCE model, we investigated the evolution of four SLRs: 53 Mn, 60 Fe, 182 Hf, and 244 Pu with the aim of explaining detections of recent (within the last ≈1–20 Myr) deposition of live 53 Mn, 60 Fe, and 244 Pu of extrasolar origin into deep-sea reservoirs. We find that core-collapse supernovae are the dominant propagation mechanism of SLRs in the Galaxy. This results in the simultaneous arrival of these four SLRs on Earth, although they could have been produced in different astrophysical sites, which can explain why live extrasolar 53 Mn, 60 Fe, and 244 Pu are found within the same, or similar, layers of deep-sea sediments. We predict that 182 Hf should also be found in such sediments at similar depths.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Inference-Optimized AI and High Performance Computing for Gravitational Wave Detection at Scale

We introduce an ensemble of artificial intelligence models for gravitational wave detection that we trained in the Summit supercomputer using 32 nodes, equivalent to 192 NVIDIA V100 GPUs, within 2 h. Once fully trained, we optimized these models for accelerated inference using NVIDIA TensorRT. We deployed our inference-optimized AI ensemble in the ThetaGPU supercomputer at Argonne Leadership Computer Facility to conduct distributed inference. Using the entire ThetaGPU supercomputer, consisting of 20 nodes each of which has 8 NVIDIA A100 Tensor Core GPUs and 2 AMD Rome CPUs, our NVIDIA TensorRT-optimized AI ensemble processed an entire month of advanced LIGO data (including Hanford and Livingston data streams) within 50 s. Our inference-optimized AI ensemble retains the same sensitivity of traditional AI models, namely, it identifies all known binary black hole mergers previously identified in this advanced LIGO dataset and reports no misclassifications, while also providing a 3X inference speedup compared to traditional artificial intelligence models. We used time slides to quantify the performance of our AI ensemble to process up to 5 years worth of advanced LIGO data. In this synthetically enhanced dataset, our AI ensemble reports an average of one misclassification for every month of searched advanced LIGO data. We also present the receiver operating characteristic curve of our AI ensemble using this 5 year long advanced LIGO dataset. This approach provides the required tools to conduct accelerated, AI-driven gravitational wave detection at scale.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Midfidelity model verification for a point-absorbing wave energy converter with linear power take-off

In the preliminary design stage of a wave energy converter (WEC), researchers need fast and reliable simulation tools. High-fidelity numerical models are usually employed to study the wave-structure interaction, but the computational cost is demanding. As an alternative, midfidelity models can provide simulations in the order of real time. In this study, we operate Uppsala University’s WEC in a relatively mild sea state and model it using WEC-Sim. The model is verified based on OpenFOAM simulations. To analyze the ability of the midfidelity model to capture WEC dynamics, we investigate the system separately with 1, 2, and 3 degrees of freedom. We examine the contribution of viscous phenomena, and study both linear and weakly nonlinear solutions provided by WEC-Sim. Our results indicate that the viscous effects can be neglected in heave and surge motion, but not for pitch. We also find that the weakly nonlinear WEC-Sim solution successfully agrees with the computational fluid dynamics, whereas the linear solution could suggest misleading results.

16 TIDAL AND WAVE POWER↗

DOE OSTI2021

Midfidelity Model Verification for a Point-Absorbing Wave Energy Converter with Linear Power Take-Off

In the preliminary design stage of a wave energy converter (WEC), fast and reliable simulation tools are required. High-fidelity numerical models are usually employed to study the wave-structure interaction, yet the computational cost is demanding. Instead, mid-fidelity models provide simulations in the order of real time. In this study, Uppsala University WEC operates in a relatively mild sea state and is modeled using WEC-Sim. The model is verified based on OpenFOAM simulations. To analyze the ability of mid-fidelity model to capture the WEC dynamics, the system is investigated separately in 1, 2 and 3 DoF. The contribution of viscous phenomena is examined. Moreover, linear and weakly non-linear solutions provided by WEC-Sim are studied. The results obtained indicate that the viscous effects in heave and surge motion can be neglected but not for the pitch. The weakly non-linear WEC-Sim solution successfully agrees with the CFD, whereas the linear solution could drive to misleading results.

CFD↗

DOE OSTI2021

Midfidelity Model Verification for a Point-Absorbing Wave Energy Converter with Linear Power Takeoff: Preprint

CFD↗

DOE OSTI2021

Spectral Element Modeling of Acoustic to Seismic Coupling Over Topography

Acoustic waves in the atmosphere are commonly recorded on seismometers as they couple into the ground. These signals, here called ground coupled airwaves, are not commonly considered in numerical modeling of infrasound propagation, which often assumes a rigid unmeshed boundary. Starting from an analytically-tractable spherical wave model, we analyze how the coupling of an acoustic wave into a planar elastic halfspace changes over a wide range of scenarios. We use energy admittance to quantify acoustic to seismic coupling over both a planar elastic halfspace and meshed topography. Our spectral element and analytic calculations have different maxima as a function of incidence angle, with very high admittance values for near-vertical incidence (maximum ≈78%). Energy admittance calculations at shallow incidence angles are much smaller (less than 1%). In simulations over the complex topography of Sakurajima Volcano, we attribute the variable spatial pattern of energy admittance to changes in earth parameters between each model. The observed pressure difference over the simulated 15 km region appears to be < 2%. While this value is relatively small, the cumulative addition over 100s of km and multiple acoustic bounce points may be significant. Acoustic to seismic coupling along the propagation path may bias long distance yield estimates, particularly when infrasound propagates over regions with steep topography or particularly slow seismic velocities, such as alluvial planes.

58 GEOSCIENCES↗

DOE OSTI2023

Pair density wave in the doped three-band Hubbard model on two-leg square cylinders

A pair density wave (PDW) is a superconducting (SC) state with a spatially modulated order parameter. Although much is known about the properties of the PDW state, its realization in microscopic models with divergent susceptibility has been challenging. Here, in this work, we report a density-matrix renormalization group study of a three-band Hubbard model (also known as the Emery model) for cuprates on long two-leg square cylinders. Upon light doping, we find that the ground state of the system is consistent with that of a PDW state with mutually commensurate and power-law SC, charge (CDW), and spin (SDW) density wave correlations. The SC correlations are dominant between neighboring Cu sites with d-wave pairing symmetry. Interestingly, we find that the near-neighbor interactions, especially the near-neighbor attractive V pd interaction between neighboring Cu and oxygen sites, can notably enhance the SC correlations while simultaneously suppressing the CDW correlations. For a modestly strong attractive V pd , the SC correlations become quasi-long-ranged with a divergent PDW susceptibility.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2023

New Developments and Capabilities Within WEC-Sim

WEC-Sim is an open-source software for simulating wave energy converters and has been actively developed and applied since its initial release in 2014 to simulate a wide variety of device archetypes. WEC-Sim is developed jointly by the National Renewable Energy Laboratory and Sandia National Laboratories within the MATLAB/SIMULINK environment. A general wave-to-wire model begins with a deployment site resource characterization, which is used to complete the hydrodynamic simulation of wave energy converters (WEC), with the power generation profile imported to a grid simulator to understand the influence on the local electrical network. While modeling the entire wave-to-wire is difficult and encompasses multiple time scales and physics, WEC-Sim is focused on the hydrodynamics simulation to predict, analyze, and optimize WEC dynamics and power performance. WEC-Sim simulations are performed in the time domain based on the radiation and diffraction method using hydrodynamics coefficients derived from boundary element method (BEM)-based frequency-domain potential flow solvers (e.g., WAMIT, NEMOH, Capytaine, or ANSYS-AQWA). With this level of modeling fidelity, WEC-Sim can handle floating body hydrodynamics, mechanical and electrical power generation methods, advanced control implementation, mooring systems, and other unique applications such as desalination. Additional WEC-Sim functionalities include pre-built Simulink blocks and MATLAB scripts that can simulate a wide range of floating systems and the corresponding auxiliary subsystems. The developers of WEC-Sim continue to release new versions of the software, at least annually, with the latest release in September 2022. These releases include bug fixes, updates to software documentation, as well as new features to expand WEC-Sim's capabilities to model a wide range of WEC concepts. This publication will highlight the new features added to WEC-Sim between versions 4.1.0 to 5.0.1, which spans a 2-year period from June 2020 to September 2022. New features described here include topics such as continuous integration checks, revised Morison Element and nonlinear hydro implementations, run directly from Simulink (required for hardware-in-the-loop execution), BEMIO updates to import Capytaine BEM hydrodynamics, addition of cable blocks, and new wave visualization features.

TIDAL AND WAVE POWER↗

DOE OSTI2023

New Developments and Capabilities Within WEC-Sim: Preprint

WEC-Sim is an open-source software for simulating wave energy converters, which has been actively developed and applied since its initial release in 2014 to simulate a wide variety of device archetypes. WEC-Sim is developed jointly by the National Renewable Energy Laboratory (NREL) and Sandia National Laboratories (Sandia) within the MATLAB/SIMULINK environment. A general wave-to-wire model begins with a deployment site resource characterization, which is used to complete the hydrodynamic simulation of wave energy converters (WEC), with the power generation profile imported to a grid simulator to understand the influence on the local electrical network. While modeling the entire wave-to-wire is difficult and encompasses multiple time scales and physics, WEC-Sim is focused on the hydrodynamics simulation to predict, analyze, and optimize WEC dynamics and power performance. WEC-Sim simulations are performed in the time domain based on the radiation and diffraction method using hydrodynamics coefficients derived from boundary element method (BEM)-based frequency-domain potential flow solvers (e.g., WAMIT, NEMOH, Capytaine, or ANSYS-AQWA). With this level of modeling fidelity, WEC-Sim can handle floating body hydrodynamics, mechanical and electrical power generation methods, advanced control implementation, mooring systems, and other unique applications such as desalination. Additional WEC-Sim functionalities include pre-built Simulink blocks and MATLAB scripts that can simulate a wide range of floating systems and the corresponding auxiliary subsystems. The developers of WEC-Sim continue to release new versions of the software, at least annually, with our latest release in September 2022. These releases include bug fixes, updates to software documentation, as well as new features to expand WEC-Sim's capabilities to model a wide range of WEC concepts. This publication will highlight the new features added to WEC-Sim between versions 4.1.0 to 5.0.1 which spans over a two year period from June 2020 to September 2022. New features to be described will include topics such as continuous integration checks, revised Morison Element and nonlinear hydro implementations, run directly from Simulink (required for hardware-in-the-loop execution), BEMIO updates to import Capytaine BEM hydrodynamics, addition of cable blocks, and new wave visualization features.

TIDAL AND WAVE POWER↗

DOE OSTI2020

Ground state wave functions for single-band Hubbard models from the Gutzwiller conjugate gradient minimisation theory

The Gutzwiller conjugate gradient minimisation (GCGM) theory is an ab initio quantum many-body theory for computing the ground-state properties of infinite systems. Previous applications of GCGM provides satisfying accuracy of ground-state energy of Hubbard models. In the current work, we address the problem of whether the obtained wave function is a good approximation for the true ground state by comparing the correlation functions with the benchmark data. Additionally, our results confirms the accuracy of the reproduced ground state of the regular Hubbard model, but with some exception for the frustrated Hubbard model.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2023

Modeling the acoustic noise from a wave energy converter farm and its impact on marine mammals at the PacWave South site, offshore Newport Oregon

Not Available

13 HYDRO ENERGY↗

DOE OSTI2022

Resonance three-wave interactions and strange attractor

We report it is shown that the incorporation of linear sink/source terms in the three-wave resonance interaction model results in the time dependence of the wave amplitudes, which could exhibit the properties of a strange attractor. This finding demonstrates that the transition to turbulent dynamics of the waves could be related not only to the coupling of wave triads but also to the establishing of the strange attractor-like dynamics within individual wave triads.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2020

3D Crustal Tomography Model of Utah

The ability to accurately locate seismic events is necessary for treaty monitoring. When using techniques that rely on the comparison of observed and predicted travel times to obtain these locations, it is important that the estimated travel times and their estimated uncertainties are also accurate. The methodology of Ballard et al. (2016a) has been used in the past to generate an accurate 3D tomographic global model of compressional wave slowness (the SAndia LoS Alamos 3D tomography model, i.e. SALSA3D). To re-establish functionality and to broaden the capabilities of the method to local distances, we have applied the methodology of Ballard et al. (2016a) to local data in Utah. This report details the results of the initial model generated, including relocations performed using analyst picked mining events at West Ridge Mine and three ground-truth events at Bingham Mine. We were successfully able to generate a feasible tomography model that resulted in reasonable relocations of the mining events.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2024

Theoretical modeling of a bottom-raised oscillating surge wave energy converter structural loadings and power performances

Here, this study presents theoretical formulations to evaluate the fundamental parameters and performance characteristics of a bottom-raised oscillating surge wave energy converter (OSWEC) device. Employing a flat plate assumption and potential flow formulation in elliptical coordinates, closed-form equations for the added mass, radiation damping, and excitation forces/torques in the relevant pitch-pitch and surge-pitch directions of motion are developed and used to calculate the system's response amplitude operator and the forces and moments acting on the foundation. The model is benchmarked against numerical simulations using WAMIT and WEC-Sim, showcasing excellent agreement. The sensitivity of plate thickness on the analytical hydrodynamic solutions is investigated over several thickness-to-width ratios ranging from 1:80 to 1:10. The results show that as the thickness of the benchmark OSWEC increases, the deviation of the analytical hydrodynamic coefficients from the numerical solutions grows from 3% to 25%. Differences in the excitation forces and torques, however, are contained within 12%. While the flat plate assumption is a limitation of the proposed analytical model, the error is within a reasonable margin for use in the design space exploration phase before a higher-fidelity (and thus more computationally expensive) model is employed. A parametric study demonstrates the ability of the analytical model to quickly sweep over a domain of OSWEC dimensions, illustrating the analytical model's utility in the early phases of design.

13 HYDRO ENERGY↗

DOE OSTI2025

Inelastic deformation of diamond single crystals shock compressed to multimegabar stresses: Wave profile calculations

As the archetypal strong solid, the response of diamond shock compressed to multimegabar stresses is important for fundamental science and for numerical simulations of wave profiles for applications in high energy density physics experiments. Previous experiments and analysis have shown that the commonly used hydrodynamic assumption is invalid for diamond shock compressed to stresses below melt and an elastic–inelastic description is needed. Here, we present a phenomenological material model for calculating wave profiles in shock compressed diamond single crystals that incorporates this description. Also, to support the modeling effort, we carried out wave profile measurements on shock compressed diamond single crystals at the Sandia Z facility to augment previous measurements. Wave profiles for [100] and [111] diamond calculated using the material model provide a good match to the elastic–inelastic response (observed two-wave structure) measured at ∼325 and ∼360 GPa. Furthermore, the calculated peak stresses for single (overdriven) waves provide a good match to the measured Hugoniot states for stresses reaching ∼700 GPa, which is near melting conditions. The present results show that the diamond single crystal response at multimegabar shock stresses is characteristic of a brittle solid—pressure-dependent strength and strength loss due to inelastic deformation.

Deformation↗