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At least 577 records · Page 32

A cooperative network at the nuclear envelope counteracts LINC-mediated forces during oogenesis in C. elegans

Oogenesis involves transduction of mechanical forces from the cytoskeleton to the nuclear envelope (NE). In Caenorhabditis elegans, oocyte nuclei lacking the single lamin protein LMN-1 are vulnerable to collapse under forces mediated through LINC (linker of nucleoskeleton and cytoskeleton) complexes. Here, we use cytological analysis and in vivo imaging to investigate the balance of forces that drive this collapse and protect oocyte nuclei. We also use a mechano-node-pore sensing device to directly measure the effect of genetic mutations on oocyte nuclear stiffness. We find that nuclear collapse is not a consequence of apoptosis. It is promoted by dynein, which induces polarization of a LINC complex composed of Sad1 and UNC-84 homology 1 (SUN-1) and ZYGote defective 12 (ZYG-12). Lamins contribute to oocyte nuclear stiffness and cooperate with other inner nuclear membrane proteins to distribute LINC complexes and protect nuclei from collapse. We speculate that a similar network may protect oocyte integrity during extended oocyte arrest in mammals.

59 BASIC BIOLOGICAL SCIENCES↗

One of These Things IS Like the Other: Pursuing a New Taxonomy of Industry for Improved Energy System Modeling

Industrial processes drive the exchange of materials, energy, and currency throughout the economy. These processes are powered by electricity and direct combustion, with variation in their operation even within the same industry. This heterogeneity makes it difficult for large models, including the National Energy Modeling System (US), to project their energy use while remaining tractable. Decarbonization and ensuing changes to the energy system require changes to industrial processes while offering opportunities for process innovation, but the extent and nature of changes are difficult to model with current classification schemes and corresponding data. The North American Industrial Classification (NAICS) is an economic taxonomy of industries, but its categories are less meaningful from an energy and material flow perspective. For example, a facility that makes steel from iron ore in a blast furnace/basic oxygen furnace is categorized under the same NAICS code as a facility that makes steel from scrap in an electric arc furnace despite the scale, use of recycled scrap versus iron ore, and energy use differences in the two facility types. Exploratory analysis is performed on a large dataset used for plant-level energy assessment in order to detect clusters that can aid in better modeling of industry for energy analysis in an evolving system with breakthrough technologies.

28 EE - Advanced Manufacturing Office (EE-5A)↗

Direct observation of annealing-driven recrystallization behavior in magnesium alloy at low strain condition

Grain-twin interactions are significant in texture modification under thermodynamic driving force. In this study, annealing-driven twinning/detwinning behavior, grain growth, and corresponding texture evolution in a pre-deformed AZ31 magnesium alloy were systematically tracked and investigated via in-situ heating synchrotron X-ray diffraction and quasi in-situ electron backscattered diffraction techniques. A twinning texture is generated in the pre-deformed sample due to the activation of {$10\bar{1}2$} tensile twinning. During annealing, dislocation annihilation occurs between 100 and 280 °C, and recrystallization occurs above 280 °C, manifesting as the initial residual matrix and twins being competitively swallowed by each other, forming a bimodal texture. The recrystallization process is completed by boundary movement, which depends on the energy difference across the boundary. In addition, it is found that the grain boundaries favor movement towards the side with higher stored energy, regardless of the boundary type or the boundary energy.

In-situ observation↗

Perspectives on the status of fusion energy research and near term directions [Slides]

Over the past few years, nearly five billion dollars of private investments from private industry sparked excitement for accelerating the development of fusion energy technologies. Driving these investments are various technical advances in research such as those at facilities such as JET, EAST, NIF, etc. At the same time, the Office of the President, in the spring of 2022, announced a commitment to fusion energy development as part of its strategy to combat climate change. With the goal of a pilot power plant by the 2040s, the research strategy shifted to public private partnerships as a means for the government to support the lofty goal of shorten the deployment time of fusion energy technologies. The rapid change in strategy created a quickly changing research landscape with many potential opportunities. In this presentation, I will attempt to paint a picture of the current state of fusion energy, highlight major challenges, and provide insights into some near-term opportunities for LANL.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Combinatorial sputter deposition of ultrathick Au-Bi alloy films

We report gold-bismuth alloys are of interest as catalysts and catalytic sensing systems, electrochemical sensors, superconductors, and hohlraums for magnetically assisted inertial confinement fusion implosions. Radiation-hydrodynamics simulations with the Lasnex code of laser-driven hohlraums predict higher x-ray drive from Au-Bi alloys compared with cases of Au-Ta or pure Au and Bi hohlraums. Here, we use direct current magnetron sputtering in Ar gas, with co-sputtering from two elemental targets, to deposit Au-Bi alloys with Bi content of 9–77 at.% and thicknesses up to ~20 µm. Films are characterized by a combination of x-ray diffraction, Rutherford backscattering, scanning electron microscopy, substrate-curvature-based residual stress, and electronic transport measurements. Experiments are complemented by Monte Carlo simulations of ballistic sputtering and gas phase transport of depositing species and Ar gas atoms. Results show that all films are polycrystalline, with three distinct compositional regimes dominated by Au, Au 2 Bi, and Bi crystallographic phases. A metallic behavior of the temperature dependence of electrical resistivity is observed for all the films. Films with Bi content above ~30 at.% exhibit porosity, which is tolerable to hohlraum x-ray drive based on Lasnex simulations.

36 MATERIALS SCIENCE↗

Size‐Induced Ferroelectricity in Antiferroelectric Oxide Membranes

Abstract Despite extensive studies on size effects in ferroelectrics, how structures and properties evolve in antiferroelectrics with reduced dimensions still remains elusive. Given the enormous potential of utilizing antiferroelectrics for high‐energy‐density storage applications, understanding their size effects will provide key information for optimizing device performances at small scales. Here, the fundamental intrinsic size dependence of antiferroelectricity in lead‐free NaNbO 3 membranes is investigated. Via a wide range of experimental and theoretical approaches, an intriguing antiferroelectric‐to‐ferroelectric transition upon reducing membrane thickness is probed. This size effect leads to a ferroelectric single‐phase below 40 nm, as well as a mixed‐phase state with ferroelectric and antiferroelectric orders coexisting above this critical thickness. Furthermore, it is shown that the antiferroelectric and ferroelectric orders are electrically switchable. First‐principle calculations further reveal that the observed transition is driven by the structural distortion arising from the membrane surface. This work provides direct experimental evidence for intrinsic size‐driven scaling in antiferroelectrics and demonstrates enormous potential of utilizing size effects to drive emergent properties in environmentally benign lead‐free oxides with the membrane platform.

36 MATERIALS SCIENCE↗

Decoding the dynamics of poleward shifting climate zones using aqua-planet model simulations

Growing evidence indicates that the atmospheric and oceanic circulation experiences a systematic poleward shift in a warming climate. However, the complexity of the climate system, including the coupling between the ocean and the atmosphere, natural climate variability and land-sea distribution, tends to obfuscate the causal mechanism underlying the circulation shift. Here, using an idealised coupled aqua-planet model, we explore the mechanism of the shifting circulation, by isolating the contributing factors from the direct CO 2 forcing, the indirect ocean surface warming, and the wind-stress feedback from the ocean dynamics. We find that, in contrast to the direct CO 2 forcing, ocean surface warming, in particular an enhanced subtropical ocean warming, plays an important role in driving the circulation shift. This enhanced subtropical ocean warming emerges from the background Ekman convergence of surface anomalous heat in the absence of the ocean dynamical change. Additionally, it expands the tropical warm water zone, causes a poleward shift of the mid-latitude temperature gradient, hence forces a corresponding shift in the atmospheric circulation and the associated wind pattern. The shift in wind, in turn drives a shift in the ocean circulation. Our simulations, despite being idealised, capture the main features of the observed climate changes, for example, the enhanced subtropical ocean warming, poleward shift of the patterns of near-surface wind, sea level pressure, storm tracks, precipitation and large-scale ocean circulation, implying that increase in greenhouse gas concentrations not only raises the temperature, but can also systematically shift the climate zones poleward.

54 ENVIRONMENTAL SCIENCES↗

UQpy: A general purpose Python package and development environment for uncertainty quantification

In this paper, we present the UQpy software toolbox, an open-source Python package for general uncertainty quantification (UQ) in mathematical and physical systems. The software serves as both a user-ready toolbox that includes many of the latest methods for UQ in computational modeling and a convenient development environment for Python programmers advancing the field of UQ. The paper presents an introduction to the software's architecture and existing capabilities, divided in the code in a set of modules centered around different UQ tasks such as sampling methods, generation of random processes and random fields, probabilistic inverse modeling, reliability analysis, surrogate modeling, and active learning. The paper also highlights the importance of the RunModel module, which is used to drive simulations in the uncertainty analyses performed in UQpy. This module conveniently allows the user to define computational models directly in Python, or to run simulations from a third-party software in serial or in parallel. To illustrate the various capabilities, two examples are tracked throughout the paper and analyzed repeatedly for various UQ tasks. The first is a Python model solving a nonlinear structural dynamics problem, used to illustrate UQpy's capabilities in sampling and forward propagation of high dimensional random vectors (stochastic processes), and probabilistic inference. The second model is a third-party Abaqus finite element model solving the thermomechanical response of a beam structure. This example is used to illustrate UQpy's capabilities in variance reduction sampling techniques, reliability analysis, surrogate modeling and active learning techniques.

97 MATHEMATICS AND COMPUTING↗

Effects of magnetic field assisted heat treatment on the microstructure and mechanical properties of Fe-0.63 %C alloy

This study investigates the influence of an applied magnetic field on the microstructural evolution and mechanical properties of hypoeutectoid steels subjected to heat treatment. Tensile tests and microstructural analysis were performed on samples processed under varying magnetic field strengths (0 T, 5 T, and 9 T) and different austenitization incubation times. The results indicate that the application of a magnetic field alters the fraction of proeutectoid ferrite phase without changing the cooling rates and heat treatment process. Additionally, pearlite microstructural features such as lamellar spacing and misorientation angles exhibit variations under different field strengths. While the pearlite nodule diameter remains largely unaffected, an increase in percentage elongation and strength is observed in the 5 T treated sample, attributed to changes in microstructural features with the magnetic field. Additionally, the percentage elongation is reduced in the samples heat treated with reduced austenitization incubation times. The study further demonstrates that low-angle misorientations increased in the samples taken parallel to the magnetic field direction, influencing the mechanical response. These findings suggest that applying a magnetic field during heat treatment provides an additional driving force for phase transformations, offering a manufacturing process for tailoring microstructures and optimizing mechanical properties. Moreover, integrating magnetic fields in heat treatment processes has potential benefits in energy efficiency.

High magnetic field↗

Generation of ultrafast electron bunch trains via trapping into multiple periods of plasma wakefields

We demonstrate a novel approach to the generation of femtosecond electron bunch trains via laser-driven wakefield acceleration. We use two independent high-intensity laser pulses, a drive, and an injector, each creating their own plasma wakes. The interaction of the laser pulses and their wakes results in a periodic injection of free electrons in the drive plasma wake via several mechanisms, including ponderomotive drift, wake-wake interference, and pre-acceleration of electrons directly by strong laser fields. Electron trains were generated with up to four quasi-monoenergetic bunches, each separated in time by a plasma period. In conclusion, the time profile of the generated trains is deduced from an analysis of beam loading and confirmed using 2D particle-in-cell simulations

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

OLCF’s Advanced Computing Ecosystem (ACE): FY24 Efforts for the DOE Integrated Research Infrastructure (IRI) Program

This report highlights significant strides made by Oak Ridge National Laboratory’s Oak Ridge Leadership Computing Facility (OLCF) in advancing computational research and infrastructure. Through the Advanced Computing Ecosystem (ACE) strategic initiative, OLCF has been successfully integrated with Doe’s Integrated Research Infrastructure (IRI) program, establishing itself as a critical framework for enhancing scientific computing capabilities across various domains. This report outlines the activities, accomplishments, and future directions of ACE, emphasizing its role in developing cutting-edge technologies, supporting science pilots, and fostering collaborations that drive scientific innovation.

97 MATHEMATICS AND COMPUTING↗

Advancing Understanding of Deep Convective Anvil Clouds

In this project we use ground-based DOE ARM observations, satellite observations, and Weather Research and Forecasting (WRF) model simulations to arrive at a more complete understanding (or, new theory) of how atmospheric heating profiles in thunderstorm cores drives how quickly air rises in the storms. The rate at which air motion increases or decreases with altitude directly relates to how much cloud mass is ejected laterally into the adjacent atmosphere, which then influences the development and maintenance of “stratiform raining cloud anvils”. Our work has led to new equations connecting the heating in these thunderstorms to these stratiform clouds, with the connection modulated by the stability structure of the atmosphere (i.e., if more stable, then a more rapid change in thunderstorm heating with altitude results in more stratiform cloud, independent of whether over land or ocean, or how organized the thunderstorms are). Improving knowledge of stratiform clouds is important, since they contribute to substantial accumulated rainfall (important to agriculture and local hydrology) as well as radiation, given their large areal extents and lifetime. The radiation impacts likely impact simulated cloud feedback in all Earth System models (ESMs).

54 ENVIRONMENTAL SCIENCES↗

Wide Bandgap Generation (WBGen): Developing the Future Wide Bandgap Power Electronics Engineering Workforce

This Final Technical Report (FTR) summarizes the work conducted at the Center for Power Electronics Systems (CPES) under the Wide-Bandgap Generation (WBGen) fellowship and traineeship program established by the Advanced Manufacturing and Technologies Office (AMMTO) of the U.S. Department of Energy Office of Energy Efficiency and Renewable Energy (EERE) at Virginia Tech, which had as main objective to train the next generation of U.S. citizen power engineers with wide-bandgap (WBG) power semiconductor expertise, with the intent to aid in fulfilling the future workforce needs in this field. The latter was deemed of strategic importance given the fast-paced growth observed—and predicted—in the demand of this technical expertise, whose practitioners have become the enablers and executioners of the electrification transformation process that not just the U.S., but the whole world, is currently undergoing as it seeks for more effective and efficient ways to use energy. As such, the WBGen program set forth to achieve its educational goals, which in addition sought to broaden the range of WBG-based power electronics by conducting research and development on high-efficiency grid apparatus and high-efficiency electrical power systems, and to also enhance the power engineering curriculum by formalizing WBG-oriented design procedures replacing existent yet now obsolete design procedures developed for Silicon (Si) based power electronics. This effort led CPES to spearhead the development of a new major within The Bradley Electrical and Computer Engineering (ECE) Department at Virginia Tech, namely Electronic Power and Energy Systems (EPES), which coalesced power electronics and power systems courses to provide undergraduate students with a strong formation in the power engineering field, while creating a pipeline of graduate students that could pursue the WBG-based curriculum and conduct research at CPES. In all, in what is considered a true success, eight of the twenty WBGen fellows that graduated program were recruited from the ECE department undergraduate cohort. The traineeship emphasized as well, from its beginning, the partnership with industry and national laboratories, which took advantage of the successful industry consortium at CPES that has historically been formed by 80–90 power and energy companies working in close collaboration with the center. This gave WBGen fellows the accessibility and possibility to conduct internships at partner facilities during the summer months, focused solely on the evaluation, testing, and adoption of WBG devices, which were many times tightly related to their respective research work and plans. In addition, WBGen fellows conducted their main research work within the confines of research programs at CPES conducted with these industry partners, providing them with a unique opportunity to develop not just their technical expertise—while advancing their knowledge, but to also learn and practice a slew of skills needed for their professional growth. As such, the fellows tackled a variety of WBG-related research topics, from device reliability and capability aspects as well as packaging and integration, encompassing the use of advanced materials and new structures, current sharing challenges, and insulation systems, to advanced gate-drivers with integrated sensors and protection mechanisms and active current- and voltage-based control, to optimized layouts seeking to maximize the switching and power processing performance of these devices, to power processing solutions adopting Gallium-Nitride (GaN) and Silicon-Carbide (SiC) power semiconductors for a variety of applications; including radiation-hardened converters for space dc distribution systems, direct three-phase ac-to-ac power converters for aerospace systems, dc-ac inverters for automotive traction drives, high-frequency isolated dc-dc battery chargers also for heavy transportation systems, and medium-voltage dc-dc and dc-ac converters for distribution systems and future power grids. The WBGen program ultimately graduated a total of 20 power engineers, all experts on WBG-based power electronics, awarding 18 M.S. and 2 PhD degrees in the process. These fellows, all U.S. citizens, allowed CPES to increase the number of citizens students to 33 % at the peak of the program, as the traineeship made possible the recruitment of talent with more attractive graduate research assistantship (GRA) contracts. Unfortunately, the present U.S. citizen enrollment at CPES has declined back to historic levels—approximately 10 %, as the regular GRA rates are not competitive enough when compared with entry-level industry jobs. In all, WBGen fellows published a total of 7 peer-reviewed journal articles, 44 papers at international technical conferences, made 42 presentations at international technical conferences, and filed 4 invention disclosures and patent applications, which have since then been granted by the U.S. Patent and Trademark Office (USPTO). Their contribution to CPES, Virginia Tech, the United States, and the world, has been significant, and continues to yield results thanks to the exemplary career that the fellows have initiated at many of the partners of the program, which include Wolfspeed, Raytheon Technologies, Infineon, Lockheed Martin, Dominion Energy, Northrop Grumman, Rivian, Aerospace Corporation, Sandia National Laboratory, National Renewable Energy Laboratory, John Hopkins University, and Virginia Tech.

14 SOLAR ENERGY↗

In Situ X-ray Scattering Reveals Coarsening Rates of Superlattices Self-Assembled from Electrostatically Stabilized Metal Nanocrystals Depend Nonmonotonically on Driving Force

Self-assembly of colloidal nanocrystals (NCs) into superlattices (SLs) is an appealing strategy to design hierarchically organized materials with promising functionalities. Mechanistic studies are still needed to uncover the design principles for SL self-assembly, but such studies have been difficult to perform due to the fast time and short length scales of NC systems. To address this challenge, we developed an apparatus to directly measure the evolving phases in situ and in real time of an electrostatically stabilized Au NC solution before, during, and after it is quenched to form SLs using small-angle X-ray scattering. By developing a quantitative model, we fit the time-dependent scattering patterns to obtain the phase diagram of the system and the kinetics of the colloidal and SL phases as a function of varying quench conditions. The extracted phase diagram is consistent with particles whose interactions are short in range relative to their diameter. We find the degree of SL order is primarily determined by fast (subsecond) initial nucleation and growth kinetics, while coarsening at later times depends nonmonotonically on the driving force for self-assembly. We validate these results by direct comparison with simulations and use them to suggest dynamic design principles to optimize the crystallinity within a finite time window. The combination of this measurement methodology, quantitative analysis, and simulation should be generalizable to elucidate and better control the microscopic self-assembly pathways of a wide range of bottom-up assembled systems and architectures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Solvation directed morphological control in metal oxide nanostructures

The development of structural hierarchy on various length scales during the crystallization process is ubiquitous in biological systems and minerals and is common in synthetic nanomaterials. The driving forces for the formation of complex architectures range from local interfacial interactions, that modify interfacial speciation, local supersaturation, and nucleation barriers, to macroscopic interparticle forces. Although it is enticing to interpret the formation of hierarchical architectures as the assembly of independently nucleated building blocks, crystallization pathways often follow monomer-by-monomer addition with structural complexity arising from interfacial chemical coupling and strongly correlated fluctuation dynamics in the electric double layers. Here, we show that the development of structural hierarchy through heterogeneous nucleation is driven by dipolar and solvation forces. Specifically, coupled simulations and experimental studies revealed that dipole build-up along the slow growth direction can trigger twinning and the development of branched architectures. Enthalpic solvation interactions were shown to either enhance or reduce the dipole moment of the nanoparticles and, thereby, control crystal morphology and architecture. The systematic studies of chemical coupling between different solvents and undercoordinated surface atoms of the growing nanocrystals revealed the mechanism of dimensionality control and the development of structural hierarchy without ligands or structure-directing agents.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Directional Superradiance in a Driven Ultracold Atomic Gas in Free Space

Ultracold atomic systems are among the most promising platforms that have the potential to shed light on the complex behavior of many-body quantum systems. One prominent example is the case of a dense ensemble illuminated by a strong coherent drive while interacting via dipole-dipole interactions. Despite being subjected to intense investigations, this system retains many open questions. A recent experiment carried out in a pencil-shaped geometry [Ferioli Nat. Phys. 19, 1345 (2023)] has reported measurements that have seemed consistent with the emergence of strong collective effects in the form of a “superradiant” phase transition in free space, when looking at the light-emission properties in the forward direction. Motivated by the experimental observations, we carry out a systematic theoretical analysis of the steady-state properties of the system as a function of the driving strength and atom number N . We observe signatures of collective effects in the weak-driving regime, which disappear with increasing drive strength as the system evolves into a single-particle-like mixed state comprised of randomly aligned dipoles. Although the steady state features some similarities to the reported superradiant-to-normal nonequilibrium transition, also known as cooperative resonance fluorescence, we observe significant qualitative and quantitative differences, including a different scaling of the critical drive parameter (from N to N ). We validate the applicability of a mean-field treatment to capture the steady-state dynamics under currently accessible conditions. Furthermore, we develop a simple theoretical model that explains the scaling properties by accounting for interaction-induced inhomogeneous effects and spontaneous emission, which are intrinsic features of interacting disordered arrays in free space. Published by the American Physical Society 2024

Agarwal, Sanaa (ORCID:0000000336863804)↗

Hierarchical Model Reduction Driven by Machine Learning for Parametric Advection-Diffusion-Reaction Problems in the Presence of Noisy Data

Abstract We propose a new approach to generate a reliable reduced model for a parametric elliptic problem, in the presence of noisy data. The reference model reduction procedure is the directional HiPOD method, which combines Hierarchical Model reduction with a standard Proper Orthogonal Decomposition, according to an offline/online paradigm. In this paper we show that directional HiPOD looses in terms of accuracy when problem data are affected by noise. This is due to the interpolation driving the online phase, since it replicates, by definition, the noise trend. To overcome this limit, we replace interpolation with Machine Learning fitting models which better discriminate relevant physical features in the data from irrelevant unstructured noise. The numerical assessment, although preliminary, confirms the potentialities of the new approach.

97 MATHEMATICS AND COMPUTING↗

Hydrodynamic spin-orbit coupling in asynchronous optically driven micro-rotors

Abstract Vortical flows of rotating particles describe interactions ranging from molecular machines to atmospheric dynamics. Yet to date, direct observation of the hydrodynamic coupling between artificial micro-rotors has been restricted by the details of the chosen drive, either through synchronization (using external magnetic fields) or confinement (using optical tweezers). Here we present a new active system that illuminates the interplay of rotation and translation in free rotors. We develop a non-tweezing circularly polarized beam that simultaneously rotates hundreds of silica-coated birefringent colloids. The particles rotate asynchronously in the optical torque field while freely diffusing in the plane. We observe that neighboring particles orbit each other with an angular velocity that depends on their spins. We derive an analytical model in the Stokes limit for pairs of spheres that quantitatively explains the observed dynamics. We then find that the geometrical nature of the low Reynolds fluid flow results in a universal hydrodynamic spin-orbit coupling. Our findings are of significance for the understanding and development of far-from-equilibrium materials.

47 OTHER INSTRUMENTATION↗