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At least 343 records · Page 19

Frequency and Characteristics of Inland Advecting Sea Breezes in the Southeast United States

Sea breezes have been observed to move inland over 100 km. These airmasses can be markedly different from regional airmasses, creating a shallow layer with differences in humidity, wind, temperature and aerosol characteristics. To understand their influence on boundary layer and cloud development on subsequent days, we identify their frequency and characteristics. We visually identified sea breeze fronts on radar passing over the Savannah River Site (SRS) between March and October during 2015–2019. The SRS is ~150 km from the nearest coastal location; therefore, our detection suggests further inland penetration. We also identified periods when sea breeze fronts may have passed but were not visually observed on radar due to the shallow sea breeze airmass remaining below the radar beam elevation that ranges between approximately 1–8 km depending on the beam angle and radar source (Columbia, SC or Charleston, SC). Near-surface atmospheric measurements indicate that the dew point temperature increases, the air temperature decreases, the variation in wind direction decreases and the aerosol size increases after sea breeze frontal passage. A synoptic classification procedure also identified that inland moving sea breezes are more commonly observed when the synoptic conditions include weak to moderate offshore winds with an average of 35 inland sea breezes occurring each year, focused primarily in the months of April, May and June.

54 ENVIRONMENTAL SCIENCES↗

Persistent compositions of non-stoichiometric compounds with low bulk diffusivity: A theory and application to Nb3Sn superconductors

Non-stoichiometric compounds may develop a composition gradient when they are formed by reactive diffusional processes. This paper reports an interesting phenomenon that in compounds with low bulk diffusivities, which rely mainly on grain boundary diffusion for their growth, the final bulk compositions may be far from equilibrium, with a very low bulk diffusivity leading to fixed (persistent) compositions – one such example is Nb 3 Sn, a superconductor. We investigated the microchemistry at the reactive interface using atom probe tomography to clarify the diffusion reaction mechanism for this low-bulk-diffusivity case and thus propose a theory for what determines the compound composition, using Nb 3 Sn as an example for concreteness. Using certain approximations, we derive an explicit analytical equation that illustrates what factors determine its composition profile. We compare our model with the known facts of Nb 3 Sn and see good agreement. In particular, this model predicts that internal oxidation may lead to higher Sn contents than conventional, non-oxidized Nb 3 Sn. Our measurements show that this is indeed true, and that the internally-oxidized Nb 3 Sn also has higher upper critical fields, achieving up to 28.2 T at 4.2 K. We discuss the general applicability of this model to non-stoichiometric compounds with low bulk diffusivity, and propose it as a tool to help in the design and processing of such materials for compositional control.

36 MATERIALS SCIENCE↗

Finite-Temperature Quantum Matter with Rydberg or Molecule Synthetic Dimensions

Synthetic-dimension platforms offer unique pathways for engineering quantum matter. We compute the phase diagram of a many-body system of ultracold atoms (or polar molecules) with a set of Rydberg states (or rotational states) as a synthetic dimension, where the particles are arranged in real space in optical microtrap arrays and interact via dipole-dipole exchange interaction. Using mean-field theory, we find three ordered phases—two are localized in the synthetic dimension, predicted as zero-temperature ground states, and one is a delocalized phase. We characterize them by identifying the spontaneously broken discrete symmetries of the Hamiltonian. We also compute the phase diagram as a function of temperature and interaction strength for both signs of the interaction. For system sizes with more than six synthetic sites and attractive interactions, we find that the thermal phase transitions can be first or second order, which leads to a tricritical point on the phase boundary. Furthermore, by examining the dependence of the tricritical point and other special points of the phase boundary on the synthetic dimension size, we shed light on the physics for thermodynamically large synthetic dimension.

74 ATOMIC AND MOLECULAR PHYSICS↗

Towards robust surrogate models: Benchmarking machine learning approaches to expediting phase field simulations of brittle fracture

Data-driven approaches have the potential to make modeling complex, nonlinear physical phenomena significantly more computationally tractable. For example, computational modeling of fracture is a core challenge where machine learning techniques have the potential to provide a much needed speedup that would enable progress in areas such as multi-scale modeling and uncertainty quantification. Currently, phase field modeling (PFM) of fracture is one such approach that offers a convenient variational formulation to model crack nucleation, branching and propagation. To date, machine learning techniques have shown promise in approximating PFM simulations. While standard fracture benchmarks represent realistic scenarios frequently observed in practice, they typically do not provide sufficiently challenging tests for data-driven methods. Here, to address this gap, we introduce a challenging dataset based on PFM simulations designed to benchmark and advance ML methods for fracture modeling. This dataset includes three energy decomposition methods, two boundary conditions, and 1000 random initial crack configurations for a total of 6000 simulations. Each sample contains 100 time steps capturing the temporal evolution of the crack field. Alongside this dataset, we also implement and evaluate Physics Informed Neural Networks (PINN), Fourier Neural Operators (FNO), and UNet models as baselines, and explore the impact of ensembling strategies on prediction accuracy. With this combination of our dataset and baseline models drawn from the literature we aim to provide a standardized and challenging benchmark for evaluating machine learning approaches to solid mechanics. Our results highlight both the promise and limitations of popular current models, and demonstrate the utility of this dataset as a testbed for advancing machine learning in fracture mechanics research.

Benchmark dataset↗

Physics-informed neural networks for solving forward and inverse flow problems via the Boltzmann-BGK formulation

We report the Boltzmann equation with the Bhatnagar-Gross-Krook collision model (Boltzmann-BGK equation) has been employed to describe multiscale flows, i.e., from the hydrodynamic limit to free molecular flow. In this study we employ physics-informed neural networks (PINNs) to solve forward and inverse problems via the Boltzmann-BGK formulation (PINN-BGK), enabling PINNs to model flows in both the continuum and rarefied regimes. In particular, the PINN-BGK is composed of three sub-networks, i.e., the first for approximating the equilibrium distribution function, the second for approximating the non-equilibrium distribution function, and the third one for encoding the Boltzmann-BGK equation as well as the corresponding boundary/initial conditions. By minimizing the residuals of the governing equations and the mismatch between the predicted and provided boundary/initial conditions, we can approximate the Boltzmann-BGK equation for both continuous and rarefied flows. For forward problems, the PINN-BGK is utilized to solve various benchmark flows given boundary/initial conditions, e.g. Kovasznay flow, Taylor-Green flow, cavity flow, and micro Couette flow for Knudsen number up to 5. For inverse problems, we focus on rarefied flows in which accurate boundary conditions are difficult to obtain. We employ the PINN-BGK to infer the flow field in the entire computational domain given a limited number of interior scattered measurements on the velocity without using the (unknown) boundary conditions. Results for the two-dimensional micro Couette and micro cavity flows with Knudsen numbers ranging from 0.1 to 10 indicate that the PINN-BGK can infer the velocity field in the entire domain with good accuracy. Finally, we also present some results on using transfer learning to accelerate the training process. Specifically, we can obtain a three-fold speedup comparted to the standard training process (e.g., Adam plus L-BFG-B) for the two-dimensional flow problems considered in our work.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Current ramp-up studies for NSTX-U in support of the development of non-inductive current ramp-up scenarios in STs

The Spherical Tokamak (ST) is a low-aspect-ratio tokamak projected to enable simultaneous operation at high normalized toroidal beta and high bootstrap current fraction. However, a compact ST reactor cannot be built with a full-sized solenoid. The remaining current required for sustained operation must be ramped up non-inductively. Sustained 100% non-inductive current drive at the MA level has not yet been demonstrated on an ST. Non-inductive current ramp-up is therefore a more challenging objective that the NSTX-U research program aims to address. In support of this development, free-boundary TRANSP simulations have been used to develop a current ramp-up scenario in which a significant fraction of the current is driven non-inductively by a combination of neutral-beam and bootstrap current drive. The resulting discharge has properties favorable for non-inductive current drive, such as a low normalized internal plasma inductance of approximately 0.45, a minimum safety factor exceeding 2, and a slightly reversed-shear q-profile. In these discharges, the plasma current ramps to 900 kA within 250 ms in an L-mode configuration, with varying electron density and density profiles. These discharges should be suitable for next-step NSTX-U experiments aimed at generating a robust L-mode fiducial scenario with low central solenoid flux consumption, which could be progressively improved as new NSTX-U experimental discharges are developed.

Raman, Roger [Univ. of Washington, Seattle, WA (Un↗

Process-oriented evaluation of quasi-stationary Rossby waves and their impact on surface air temperature extremes in dynamical downscaling over North America

Quasi-stationary Rossby waves are a crucial component of the general circulation and play a significant role in regional water and energy cycles, as well as in extreme events. However, process-oriented evaluation for Rossby waves is rarely performed for dynamical downscaling simulations. To close this gap, we evaluate three classes of dynamical downscaling approaches, with a focus on quasi-stationary Rossby waves and their impact on surface air temperature over North America during Northern Hemisphere summer. The three classes of models differ in the way large-scale forcing is provided: a limited-area model (LAM) constrained only by lateral boundary conditions, represented by RegCM4 from the North American branch of the Coordinated Regional Downscaling Experiment (NA-CORDEX), a LAM with spectral nudging to maintain consistency in large-scale dynamics with the forcing data, represented by the Weather Research and Forecasting (WRF) model simulation in NA-CORDEX, and a global variable-resolution model with smoothly varying grid spacings, represented by the Community Atmosphere Model version 5.4, with the Model for Prediction Across Scales (MPAS) as its dynamical core (CAM-MPAS). With no constraints on the atmospheric dynamics, CAM-MPAS exhibits several mean biases in the upper-level circulations over the Pacific Coast region: a weaker subtropical jet, a northward-shifted mid-latitude jet, and an overestimated southerly flow. With the lateral boundary constraint alone, RegCM4 also exhibits weaker jets and overestimated southerly winds off the West Coast. Rossby ray theory reveals that those wind biases direct incoming Rossby waves northward. The erroneously routed Rossby waves distort the relationship between the accumulation of wave activity over the US West Coast and surface temperature anomalies over the Southern Great Plains, which emerges approximately 4 d after the convergence of wave-activity flux in the ERA-Interim reanalysis. Furthermore, the response of heatwaves to the extreme wave activity flux is not reproduced by the two models, a serious drawback as a dynamical downscaling framework is expected to connect large-scale forcing to local-scale phenomena. The WRF model employing spectral nudging is largely free from the aforementioned problems. A pair of sensitivity simulations suggests that spectral nudging is the key to improving the dynamics of quasi-stationary Rossby waves and their impact on surface air temperature. Our results also demonstrate the effectiveness of Rossby wave diagnostics that allow for realistic background flows for assessing the credibility of dynamical downscaling over North America, where incoming Rossby waves propagate through complex circulation patterns before traveling across the continent.

54 ENVIRONMENTAL SCIENCES↗

Identifying microstructures susceptible to pulverization in commercially irradiated high burnup UO2 under LOCA conditions

High burnup fuel fragmentation (HBFF) has been a concern in the nuclear industry for many years. When UO2 reaches and exceeds pellet average burnups around 55 GWd/tU, microstructural changes in the fuel pellet begin to occur that render the pellet susceptible to fine fragmentation under loss-of-coolant accident (LOCA) conditions. During a LOCA event, the cladding balloons and bursts, potentially releasing part of these fine fuel fragments into the reactor pressure vessel. This process is known as fuel fragmentation, relocation, and dispersal (FFRD). Presently, the US nuclear industry is developing a safety basis for FFRD with the goal of increasing burnups and pressurized water reactor cycle lengths. Increased cycle lengths would push the burnup limits of the fuel rods past the known threshold for HBFF susceptibility. In this work, the microstructural impact on HBFF was investigated by comparing the microstructures of as-irradiated rod segments to their post-LOCA tested counterparts. This investigation found that varied operational histories result in different microstructural evolutions across the pellet radius, which impacts the fragmentation behavior and radial location of the fragmentation. It is noted that regions with a high bubble density and a high density of grain boundaries fragment under LOCA-relevant conditions. In addition to the fragmentation that has been previously reported at the periphery of the fuel, fragmentation was also noted in the dark zone toward the fuel center. Analysis of the power histories of the fuel samples suggests that the dark zone forms in the central regions of the pellet between temperatures of approximately 740 and 960 °C.

McKinney, Casey [ORNL] (ORCID:0000000335383614)↗

Upscaling Reactive Transport and Clogging in Shale Microcracks by Deep Learning

Fracture networks in shales exhibit multiscale features. A rock system may contain a few main fractures and thousands of microcracks, whose length and aperture are orders of magnitude smaller than the former. It is computationally prohibitive to resolve all the fractures explicitly for such multiscale fracture networks. One traditional approach is to model the small-scale features (e.g., microcracks in shales) as an effective medium. Although this fracture-matrix conceptualization significantly reduces the problem complexity, there are classes of physical processes that cannot be accurately upscaled by effective medium approximations, e.g., microcrack clogging during mineral reactions. Here, we employ deep learning in place of effective medium theory to upscale physical processes in small-scale features. Specifically, we consider reactive transport in a fracture-microcrack network where microcracks can be clogged by precipitation. A deep learning multiscale algorithm is developed, in which the microcracks are upscaled as a wall boundary condition of the main fractures. The wall boundary condition is constructed by recurrent neural networks, which take concentration histories as input and predict the solute transport from main fractures to microcracks. The deep learning multiscale algorithm is firstly employed in specific scenarios, then a general model is developed which can work under various conditions. The new approach is validated against fully resolved simulations and an analytical solution, providing a reliable and efficient solution for problems that cannot be upscaled by effective medium models.

58 GEOSCIENCES↗

A two-and-a-half dimensional symplectic space-charge solver

The nonlinear space-charge effect plays a significant role in high-intensity accelerators and has been extensively studied using multi-particle tracking methods. In this paper, we present a novel 2.5- dimensional symplectic space-charge solver specifically designed for long beam bunches. We begin by detailing its application to a transverse Gaussian density distribution under open boundary conditions in a straight system, where a semi-analytical expression is derived. We then demonstrate the solver’s adaptation to arbitrary distributions in open space, as well as within rectangular and round conducting pipes. Finally, we discuss the extension of this solver to circular accelerator systems. This study shows that the fast 2.5-dimensional solver can be a good approximation to the fully three-dimensional solver for long bunches in large circular accelerators.

Beam code development & simulation techniques↗

Accurate localization of Kosterlitz-Thouless-type quantum phase transitions for one-dimensional spinless fermions

We investigate the charge-density wave (CDW) transition for one-dimensional spinless fermions at half band filling with nearest-neighbor electron transfer amplitude t and interaction V. The model is equivalent to the anisotropic XXZ Heisenberg model for which the Bethe Ansatz provides an exact solution. For V>V c =2t, the CDW order parameter and the single-particle gap are finite but exponentially small, as is characteristic for a Kosterlitz-Thouless transition. It is notoriously difficult to locate such infinite-order phase transitions in the phase diagram using approximate analytical and numerical approaches. Second-order Hartree-Fock theory is qualitatively applicable for all interaction strengths, and predicts the CDW transition to occur at V$^{(2)}_{c,2}$≈1.5t. Second-order Hartree Fock theory is almost variational because the density of quasiparticle excitations is small. We apply the density-matrix renormalization group (DMRG) for periodic boundary conditions for system sizes up to 514 sites, which permits a reliable extrapolation of all physical quantities to the thermodynamic limit, apart from the critical region. We investigate the ground-state energy, the gap, the order parameter, the momentum distribution, the quasiparticle density, and the density-density correlation function to locate V c from the DMRG data. In conclusion, tracing the breakdown of the Luttinger liquid and the peak in the quasiparticle density at the band edge permits us to reproduce V c with an accuracy of one percent.

1-dimensional spin chains↗

Deep operator network surrogate for phase-field modeling of metal grain growth during solidification

A deep operator network (DeepONet) has been constructed that generates accurate representations of phase-field model simulations for evolving two dimensional metal grain morphology growing from melt. These representations serve as lower resolution, computationally efficient stand-ins for quick parameter space exploration of solutions to the the Allen-Cahn equations that dictate the phase-field model simulations. The experimental target for the phase-field model is a uranium casting system cooling a 434 g uranium charge from a maximum temperature of 1400° C at an average rate of 30° C / min , traversing the crystallographic phases of the pure metal. Experimental parameters inform the phase-field model, whose higher resolution computational model solutions are used to train the DeepONet in a given parameter space with the aim of developing a faster, more efficient method for predicting the solidifying metal's microstructure at different potential experimental values. The final DeepONet generates high accuracy, lower resolution predictions with cumulative relative approximation error over all timesteps of less than 0.5%, while ensuring solutions remain within physically feasible ranges. Further, these relative error values are comparable with other state-of-the-art DeepONet models for microstructure evolution, while significantly reducing the amount of training data required. Training a convolutional neural network simultaneously with the DeepONet, enforcing realistic values at the complex metal grain boundaries, and mathematically encoding boundary conditions into the structure of the DeepONet improved prediction accuracy and computational efficiency over a standard DeepONet model.

36 MATERIALS SCIENCE↗

Updimensioning strategy derived from synthetic equiaxed grain structures for approximating 3D grain size distributions from 2D visualizations with 1D parameters

We generated synthetic equiaxed grain structures using computer graphics software to explore the relationship between various grain size determination methods and true three-dimensional (3D) grain diameters. Mirroring grain measurement techniques, the synthetic 3D grain structures are imaged as 2D micrographs which are measured to yield 1D grain size parameters. Synthetic grain structures provide data at a mass scale and permit exploration of both polished and fractured surface micrographs, revealing one-to-one correspondence between exposed 2D grain cross-sections and individual 3D grains. Analysis of this correspondence yielded a procedure to approximate 3D equiaxed grain size and volume distributions based on the mode of the 2D fractograph grain size distribution. The 3D approximation procedure is shown to be less susceptible to different imaging conditions that affect small, undiscernible grains compared to the standard planimetric and linear intercept methods, which by design also tend to underestimate the 3D grain diameter. The procedure requires larger sample sizes to lower variance and a deeper analysis which could become more practical with machine learning (ML) models for grain boundary segmentation, which synthetic grain structures can help train. This work lays the foundation for analyzing other grain distributions such as columnar and composite grains in similar depth.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Robustness of quasi-symmetry along parametric boundary variation

Quasi-symmetry is a guiding principle to modern stellarator optimization for improved plasma confinement. However, the robustness of optimized configurations, which can be crucial for maintaining performance under diverse engineering constraints and practical limitations, has received relatively little attention. Here, in this work, we present various case studies on this robustness, by investigating variations in 1/ v neoclassical transport when plasma configurations are smoothly altered across distinct optimized targets. These targets, optimized from different families—quasi-axisymmetric, quasi-helical, and quasi-isodynamic—are approximately matched in major radius as part of a flexible stellarator design. Our study shows that an optimized target does not always represent a local minimum in transport and that the robustness of a local minimum when present can vary significantly. Furthermore, there are configurations which belong to no established families but have transport levels as low as those of optimized targets. These results highlight the importance of conducting extended searches with key parametric variations around optimized configurations, to ensure its robustness as well as flexibility if desired.

neoclassical transport↗

Low ozone dry deposition rates to sea ice during the MOSAiC field campaign: Implications for the Arctic boundary layer ozone budget

Dry deposition to the surface is one of the main removal pathways of tropospheric ozone (O 3 ). We quantified for the first time the impact of O 3 deposition to the Arctic sea ice on the planetary boundary layer (PBL) O 3 concentration and budget using year-round flux and concentration observations from the Multidisciplinary drifting Observatory for the Study of Arctic Climate (MOSAiC) campaign and simulations with a single-column atmospheric chemistry and meteorological model (SCM). Based on eddy-covariance O 3 surface flux observations, we find a median surface resistance on the order of 20,000 s m –1 , resulting in a dry deposition velocity of approximately 0.005 cm s –1 . This surface resistance is up to an order of magnitude larger than traditionally used values in many atmospheric chemistry and transport models. The SCM is able to accurately represent the yearly cycle, with maxima above 40 ppb in the winter and minima around 15 ppb at the end of summer. However, the observed springtime ozone depletion events are not captured by the SCM. In winter, the modelled PBL O 3 budget is governed by dry deposition at the surface mostly compensated by downward turbulent transport of O 3 towards the surface. Advection, which is accounted for implicitly by nudging to reanalysis data, poses a substantial, mostly negative, contribution to the simulated PBL O 3 budget in summer. During episodes with low wind speed (<5 m s –1 ) and shallow PBL (<50 m), the 7-day mean dry deposition removal rate can reach up to 1.0 ppb h –1 . Our study highlights the importance of an accurate description of dry deposition to Arctic sea ice in models to quantify the current and future O 3 sink in the Arctic, impacting the tropospheric O 3 budget, which has been modified in the last century largely due to anthropogenic activities.

54 ENVIRONMENTAL SCIENCES↗

A Converse to Lieb–Robinson Bounds in One Dimension Using Index Theory

Abstract Unitary dynamics with a strict causal cone (or “light cone”) have been studied extensively, under the name of quantum cellular automata (QCAs). In particular, QCAs in one dimension have been completely classified by an index theory. Physical systems often exhibit only approximate causal cones; Hamiltonian evolutions on the lattice satisfy Lieb–Robinson bounds rather than strict locality. This motivates us to study approximately locality preserving unitaries (ALPUs). We show that the index theory is robust and completely extends to one-dimensional ALPUs. As a consequence, we achieve a converse to the Lieb–Robinson bounds: any ALPU of index zero can be exactly generated by some time-dependent, quasi-local Hamiltonian in constant time. For the special case of finite chains with open boundaries, any unitary satisfying the Lieb–Robinson bound may be generated by such a Hamiltonian. We also discuss some results on the stability of operator algebras which may be of independent interest.

Physics↗

Compression of tokamak boundary plasma simulation data using a maximum volume algorithm for matrix skeleton decomposition

This report demonstrates satisfactory data compression of SOLPS-ITER simulation output ranging from 2D fields, 1D profiles, and 0D scalar variables with a novel matrix decomposition approach. The singular value decomposition (SVD) scales poorly for large matrix sizes and is unsuited to the application on high dimensional data common to fusion plasma physics simulation. In this work, we employ the columns-submatrix-rows (CUR) matrix factorization technique in order to compute a low-rank approximation up to two orders of magnitude faster than the SVD, but within a nominal L2-norm relative error of ε = 10 –2 . In addition, the CUR approach maintains the original format of the data, in its extracted columns and rows, allowing for interpretable data storage at the original resolution of the simulation. We utilize an iterative algorithm to compute the CUR decomposition of simulation output by maximizing the volume, or linearly independent information content, of a low-rank submatrix contained within the data. Experiments over $\textit{n} × \textit{n}$ randomized test matrices with embedded rank-deficient features show that this maximum volume implementation of CUR matrix approximation has reduced asymptotic computational complexity on the order of n compared to the SVD, which scales approximately as $n^3$. These results show that the CUR technique can be used to effectively select time step snapshots (columns) of over 140 SOLPS-ITER output variables and the associated discretized coordinate timeseries (rows) allowing for reconstruction of the complete simulation dynamics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Signatures of ambient pressure superconductivity in thin film La 3 Ni 2 O 7

Recently, the bilayer nickelate La 3 Ni 2 O 7 has been discovered as a new superconductor with transition temperature T c near 80 K under high pressure. Despite extensive theoretical and experimental work to understand the nature of its superconductivity, the requirement of extreme pressure restricts the use of many experimental probes and limits its application potential. Here, in this work, we present signatures of superconductivity in La 3 Ni 2 O 7 thin films at ambient pressure, facilitated by the application of epitaxial compressive strain. The onset T c varies approximately from 26 K to 42 K, with higher T c values correlating with smaller in-plane lattice constants. We observed the co-existence of other Ruddlesden-Popper phases within the films and dependence of transport behavior with ozone annealing, suggesting that the observed low zero resistance T c of around 2 K can be attributed to stacking defects, grain boundaries, and oxygen stoichiometry. This finding initiates numerous opportunities to stabilize and study superconductivity in bilayer nickelates at ambient pressure, and to facilitate the broad understanding of the ever-growing number of high temperature and unconventional superconductors in the transition metal oxides.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗