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At least 901 records · Page 50

JHTDB-wind: a web-accessible large-eddy simulation database of a wind farm with virtual sensor querying

This paper introduces JHTDB-wind (https://turbulence.idies.jhu.edu/datasets/windfarms, last access: 11 November 2025), a publicly accessible database containing large-eddy simulation (LES) data from wind farms. Building on the framework of the Johns Hopkins Turbulence Database (JHTDB), which hosts direct numerical simulation (DNS) and some LES datasets of canonical turbulent flows, JHTDB-wind stores the 4D space–time history of the flow and provides users the ability to access and query the data via a web-based virtual sensor interface. The initial dataset comprises LES results from a large wind farm with 10×6 turbines, modeled using a filtered actuator line method, under conventionally neutral atmospheric conditions. These data comprise 1 h (hour) of flow field data (velocity, pressure, potential temperature deviation, subgrid-scale (SGS) eddy viscosity, and turbine forces, approximately 15 TB (terabytes) and wind turbine data – including both turbine-level operational quantities and blade-level aerodynamic quantities (approximately 1.3 TB) – stored in Zarr and Parquet formats, respectively. Data retrieval is facilitated by the giverny Python package, allowing remote users to query the database in Python or MATLAB (C and Fortran support are available for flow field data). This paper details the simulation setup and demonstrates data access through examples that analyze wind farm flow structures and turbine performance. The framework is extensible to future datasets, including the JHTDB-wind diurnal cycle simulation analyzed in Xiao et al. (2025).

17 WIND ENERGY↗

Short-range correlation physics at low renormalization group resolution

Recent experiments have succeeded in isolating processes for which short-range correlation (SRC) physics is dominant and well accounted for by SRC phenomenology. But an alternative and compelling picture emerges from renormalization group (RG) evolution to low RG resolution. At high RG resolution, SRCs are identified as components in the nuclear wave function with relative pair momenta greater than the Fermi momentum. Scale separation results in wave-function factorization that can be exploited with phenomenologies such as the generalized contact formalism or the low-order correlation operator approximation. Evolution to lower resolution shifts SRC physics from nuclear structure to the reaction operators without changing the measured observables. We show how the features of SRC phenomenology manifested at high RG resolution are cleanly identified at low RG resolution using simple two-body operators and local-density approximations with uncorrelated wave functions, all of which can be systematically generalized. We verify that the experimental consequences to date follow directly at low resolution from well-established properties of nucleon-nucleon interactions such as the tensor force. Thus the RG reconciles the contrasting pictures of the same experiment and shows how to get correct results using wave functions without SRC components. Finally, our demonstration has implications for the analysis of knockout reactions for which SRC physics is not cleanly isolated.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

A Study on Particle Trajectory Error in Finite-Element Particle-in-Cell Algorithms

Particle-in-cell (PIC) algorithms are widely used for the simulation of kinetic plasmas. PIC algorithms account for the interaction between charged particles in a plasma and the electromagnetic field in ambient space, including self-field interactions. The objective of this article is to study the error in charged particle trajectories present in finite-element (FE)-based PIC algorithms on unstructured meshes. We study how the trajectory error behaves according to the FE mesh resolution and the matrix solver employed in the FE algorithm. The study is performed by considering a trajectory established by a parabolic electric potential and an axial magnetic force acting on the charged particle. Under a proper choice combination of electric and magnetic field parameters, the 2-D particle trajectories comprise closed orbits. Numerical errors cause small perturbations on the trajectories, with cumulative effects. As a result, the resulting orbital trajectories exhibit distortions including spurious apsidal precession. These distortions provide a clear imprint of the numerical error. Here, we also study the numerical error in a quantitative fashion by computing the distance norm between the trajectories obtained by the exact fields and numerical fields.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Considering coasts: Adapting terrestrial models to characterize coastal wetland ecosystems

The Energy Exascale Earth System Model (E3SM) simulates fully coupled processes and interactions among water, energy, carbon and nutrient cycles. E3SM connects vegetation and soil dynamics through nutrient uptake, plant production, litterfall and decomposition as a function of abiotic parameters (e.g. temperature and moisture). However, E3SM is designed to characterize terrestrial ecosystems and connects land and open ocean systems using a single streamflow transport term, ignoring the complex dynamics of energy, water, carbon, and nutrients in coastal systems. The goals of our project were to: (1) Parameterize a point version of E3SM to capture coastal wetland habitats and (2) Determine marsh community responses to increased temperature and elevated CO 2 . We adapted a version of the E3SM land model, previously configured to represent forested bog hydrology to a coastal ecosystem using datasets from field experiments conducted at the Smithsonian Environmental Research Center's Global Change Research Wetland (GCReW). Tidal forcing in a marsh environment was simulated using a two-column system in which the columns are connected by lateral hydrologic flows. One column simulates interactions between vegetation and soil while a second column simulates variation in water level (both tidal and sea level rise). The updated model captures many aspects of the field experiments, showing that plant community responses to environmental change are non-linear, non-additive and different between plant types. Elevated CO 2 treatments increased C 3 plant biomass more than C 4 (33% vs 17%). Temperature exacerbated CO 2 responses in C 3 plants (0 °C: 26%, 5.1 °C: 56%). We were more successful at characterizing C 3 than C 4 responses and simulating above rather than belowground biomass production. Furthermore, the next steps will include updates to key physiological parameters such as root:shoot carbon allocation and the addition of mechanistic feedbacks between vegetation and biogeochemical processes.

54 ENVIRONMENTAL SCIENCES↗

Computational general relativistic force-free electrodynamics: I. Multi-coordinate implementation and testing

General relativistic force-free electrodynamics is one possible plasma-limit employed to analyze energetic outflows in which strong magnetic fields are dominant over all inertial phenomena. The amazing images of black hole (BH) shadows from the Galactic Center and the M87 galaxy provide a first direct glimpse into the physics of accretion flows in the most extreme environments of the universe. The efficient extraction of energy in the form of collimated outflows or jets from a rotating BH is directly linked to the topology of the surrounding magnetic field. We aim at providing a tool to numerically model the dynamics of such fields in magnetospheres around compact objects, such as BHs and neutron stars. To do so, we probe their role in the formation of high energy phenomena such as magnetar flares and the highly variable teraelectronvolt emission of some active galactic nuclei. In this work, we present numerical strategies capable of modeling fully dynamical force-free magnetospheres of compact astrophysical objects. Here, we provide implementation details and extensive testing of our implementation of general relativistic force-free electrodynamics in Cartesian and spherical coordinates using the infrastructure of the E INSTEIN T OOLKIT . The employed hyperbolic/parabolic cleaning of numerical errors with full general relativistic compatibility allows for fast advection of numerical errors in dynamical spacetimes. Such fast advection of divergence errors significantly improves the stability of the general relativistic force-free electrodynamics modeling of BH magnetospheres.

79 ASTRONOMY AND ASTROPHYSICS↗

Stress and Curvature Effects in Layered 2D Ferroelectric CuInP 2 S 6

Nanoscale ferroelectric 2D materials offer the opportunity to investigate curvature and strain effects on materials functionalities. Among these, CuInP 2 S 6 (CIPS) has attracted tremendous research interest in recent years due to combination of room temperature ferroelectricity, scalability to a few layers thickness, and ferrielectric properties due to coexistence of 2 polar sublattices. Here, we explore the local curvature and strain effect on polarization in CIPS via piezoresponse force microscopy and spectroscopy. To explain the observed behaviors and decouple the curvature and strain effects in 2D CIPS, we introduce the finite element Landau–Ginzburg–Devonshire model, revealing strong changes in hysteresis characteristics in regions subjected to tensile and compressive strain. The piezoresponse force microscopy (PFM) results show that bending induces ferrielectric domains in CIPS, and the polarization-voltage hysteresis loops differ in bending and nonbending regions. Furthermore, these studies offer insights into the fabrication of curvature-engineered nanoelectronic devices.

2D materials↗

Development of the ARM Lagrangian Large-Scale Forcing Data (ARMLAGTRAJ) Value-Added Product Based on the lagtraj Framework

The Atmospheric Radiation Measurement (ARM) large-scale forcing data developed based on the constrained variational analysis (VARANAL) value-added product (VAP) (Zhang and Lin 1997, Zhang et al. 2001, Xie et al. 2004, Tang et al. 2019) has been widely used for single-column models (SCMs), cloud-resolving models (CRMs), and large-eddy simulation models (LESs) to understand and improve physical processes in models. Recently, the U.S. Department of Energy (DOE) ARM user facility conducted several major field campaigns using ship-based moving observational platforms. For example, the Marine ARM GPCI Investigation of Clouds (MAGIC) field campaign focused on the role of subtropical marine-boundary layer (MBL) clouds, and the Multidisciplinary Drifting Observatory for the Study of Arctic Climate (MOSAiC) field campaign aimed to improve understanding of the coupled climate systems in the Arctic. Observations from moving platforms are critical to provide a comprehensive characterization of coupled-system processes associated with all stages of the cloud and/or sea-ice life cycle. Traditional ARM large-scale forcing data have been developed at fixed locations. They need to be extended to include these moving platforms to address data needs for ship-based field campaigns or to support LES modeling in a Lagrangian framework. With these considerations in mind, we develop ARM-type Lagrangian large-scale forcing data sets based on the lagtraj framework (Boeing et al. 2020) with notable enhancements in generating forcings that are more suitable for ARM field campaigns. The lagtraj is a novel tool that generates forcings for LES and SCM simulation in both Lagrangian and Eulerian perspective. This technical report focuses on the major changes we performed on the lagtraj algorithm and provides an overview of the ARM Lagrangian Large-Scale Forcing Data (ARMLAGTRAJ) value-added products.

54 ENVIRONMENTAL SCIENCES↗

Dynamic, Adaptive, Systems and Materials: Complex, Simple and Emergent Behaviors

This program has been funded by DoE/BES for twenty years. It has moved into and out of various subjects as it has developed, but it has retained its focus on complexity and complex systems. The project has evolved in the following way: Self-Assembly and Biomimetic Self-Assembly: All self-assembling systems depend upon a minimum of two types of interaction: a repulsion and an attraction. For the familiar molecular systems, attractive interactions are typically hydrogen bonds and electrostatic interactions. Repulsive interactions include steric effects, hydrophobic effects (in biological systems), and charge-charge repulsion. We have expanded this repertoire to include surface interactions, magnetic interactions, and others. I list these systems in the order in which we have explored them: i) A key emphasis in current work is in understanding how the movement of ions in a magnetic field (the Lorentz effect) interacts with catalytic systems. We have demonstrated that an acceleration in rate of reduction of CO 2 to CO can be accomplished by applying an external magnetic field. This acceleration is largely due to the application of the Lorentz effect on mass transport at the catalyst’s surface. ii) We have also extensively explored the influence of electrostatics, as exhibited in self-assembling systems, by tribocharging. iii) Another key system involves surface tension effects; examples include interactions between heavy particles floating at a liquid-air interface, and interacting by changes in surface area; interactions of bubbles and bubble rafts, behaviors of bubble trains in microfluidic networks, and behaviors of microorganisms in constraining environments. iv) This work has intentionally de-emphasized biological systems; but it does include some work on protein-ligand interactions and interactions among microorganisms. v) We have also explored applications of some of these effects, these explorations include bubble rafts as diffraction gratings, exploration of the structures that can be obtained by tribocharging and uses of these structures in exploring nucleation and melting of crystals. vi) Although not a major focus of this work, several other topics have emerged and offer opportunities for future work. These include the behavior of bubble trains and bubble rafts in microfluidic systems. A particularly interesting example is the formation of bubble trains that repeat in the alteration of large and small bubbles according to rules we do not presently understand, but are uniquely large-period oscillating systems. These systems offer a new route into understanding the instabilities of the type represented by oscillations. vii) We have also begun exploratory projects on magnetic levitation (especially to determine molecular density), and information storage (in molecules). Magnetic Levitation: Self-assembling and biomimetic systems require both attraction and repulsion. We have used electrostatics (tribocharging), interfacial free-energies (surface tension and related forces) and others. Potential uses include reconfigurable diffraction gratings and liquid lenses; exploration of mechanisms in tribocharging; tunneling in EGaIn junctions; and bubble trains (especially in micro-fluidic systems). Examples of systems representing these topics is included in the following papers: Complexity: Disks rotating at a water-air interface; Benard-Marangoni effects; Vortex-Crystals from spinning magnetic disks (Marangoni effects); EGaIn Electrode to study quantum tunneling; Self-Assembly of electrostatically-charged metallic spheres (electrets); Dynamically reconfigurable lens; Using computational designs of ligands for enzymes; Electrostatic self-assembly by tribocharging; Monodisperse bubble trains in microchannel systems; Inverted dripping faucet; Flames; Printing of micro-organisms to regenerate the “ink” of printing device; Using micro-organisms to move loads (“microoxen”); Motion of bacterial swarms near surfaces; Making monodisperse particles in microfluidic systems; Coding/decoding of information stored in droplet trains in microfluidic networks; Magnetic levitation; and Information storage. i) Tribocharging. The change in focus of this work on electrets from the fundamentals of charging to applications of these materials in studying self-assembly using electrostatic interactions. ii) Bubbles in Microchannels. The realization that systems of bubbles in microchannels represented a major opportunity to study complexity in a very tractable system, and the development of a semi-quantitative theory of this subject. iii) Flames. The growth of “flames” remains an exploratory subject for the research, although their currently relatively little active work involving it ongoing. iv) Systems with Microorganisms. The removal of work in biological systems from this project. Based on work supported in this program, we now have a significant project on the development of microfluidic tools for studying C. elegans (a nematode), but this work was not appropriate for a program focused on complexity, and we developed separate support for it. (It is, however, an example of successful seeding of a new area by BES.) The work on electrets has gone through a period in which a part of the program was the subject of a MURI; the focus of this work was to develop materials that did not charge electrostatically on friction or contact. The MURI is now over, and the work on dynamic self-assembly (supported by BES) is the major focus. “Flames” has also enjoyed synergistic support, in terms of a project supported by DARPA on flame suppression (in the absence of extinguishing agents, using acoustic and electrostatic interactions). This work was helpful in understanding some of the basics of flames, but is entirely distinct from the BES focus in complexity. A growing interest is in the Lorentz effect. The Lorentz effect is the force exerted on charged particles (electrons, ions, charged molecules) when they move through a perpendicular magnetic field. The Lorentz effect is almost ubiquitous in modern technology: examples of applications include electric motors, dynamos, cathode ray tubes, many batteries, and most systems that control electrical currents with magnetic forces. We have begun to explore the Lorentz effect in electrochemical systems and heterogeneous catalytic systems involving charged organic species and inorganic ions. This work is still at an early stage, but initial studies that Lorentz effects can be large when ions move through magnetic fields, or magnetic fields move in the presence of ions.

36 MATERIALS SCIENCE↗

Tunable Electromechanical Liquid Crystal Elastomer Actuators

Liquid crystal elastomers (LCE) are soft materials which anisotropically shape morph in response to external stimuli. Herein, a method to produce large‐area carbon nanotube–LCE nanocomposite films with exceptional electrostrictive properties is examined. A methodology to produce telechelic precursor oligomeric composites at scale (>100 g) is presented along with the continuous casting and photocuring process. The carbon nanotubes are well‐aligned and well‐dispersed in the films, which exhibit exceptional anisotropic thermomechanical, optical, and thermal shape change characteristics. When an electric field is applied through the film thickness, the material quickly and reversibly contracts along the alignment direction. As an example, a compliant carbon nanotube–LCE film contracts >4% against a 140 kPa load, roughly comparable to the blocking force of many natural muscular tissues. Furthermore, it is demonstrated that this tunable contraction is dependent upon the electric field strength, and that the contraction mimics the form function of the input electric field (e.g., a sine wave). These compliant actuators are excellent candidates for incorporation into soft and/or biological systems.

36 MATERIALS SCIENCE↗

Layered patterns of active scalar fields in a two-dimensional magnetohydrodynamic system

Here, we observe the formation of staircase patterns in the magnetic potential (𝐴) in a weakly magnetized two-dimensional magnetohydrodynamic system driven by a forced, fluctuating vortex array. Layering occurs due to inhomogeneous mixing of 𝐴 by vortex cells. Magnetic Reynolds number (𝑅 𝑚 )–dependent quenching of the turbulent diffusion of 𝐴 by weak magnetic fields increases the disparity between the (short) cell circulation time and the (long) time for intercell transport of magnetic potential. Thus, magnetic fields strengthen transport barriers between cells and reinforce the staircase, relative to its passive scalar counterpart. The analysis reveals a feedback mechanism, which promotes staircase formation. Magnetic staircases persist in both the flux expulsion (𝑅 𝑚 ⁢𝑣$^2_𝐴$/𝑈$^2_0$<1) and vortex disruption (𝑅 𝑚 ⁢𝑣$^2_𝐴$/𝑈$^2_0$≥1) limits. In the latter case, residual vortex cells homogenize 𝐴. Global layering morphology is shown to be well characterized by staircase curvature. Stochastic forcing of magnetic potential can support magnetic staircases against resistive decay.

magnetohydrodynamics↗

Magnetic Imaging of Domain Walls in the Antiferromagnetic Topological Insulator MnBi 2 Te 4

The control of domain walls or spin textures is crucial for spintronic applications of antiferromagnets. Despite many efforts, it has been challenging to directly visualize antiferromagnetic domains or domain walls with nanoscale resolution, especially in magnetic field. Here, we report magnetic imaging of domain walls in several uniaxial antiferromagnets, the topological insulator MnBi 2 Te 4 family, using cryogenic magnetic force microscopy (MFM). Our MFM results reveal higher magnetic susceptibility inside the domain walls than in domains. Domain walls in these antiferromagnets form randomly with strong thermal and magnetic field dependence. Here, the direct visualization of these domain walls and domain structures in the magnetic field will not only facilitate the exploration of intrinsic topological phenomena in antiferromagnetic topological insulators but will also open a new path toward control and manipulation of domain walls or spin textures in functional antiferromagnets.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Electromagnetic Analysis of ITER Electron Cyclotron Emission Model

The ITER electron cyclotron emission (ECE) diagnostic system is located at diagnostics shielding module 2 (DSM2), equatorial port 9 (EP9), to measure electron temperature profile and electron temperature fluctuations, and also assess nonthermal electron distributions via the oblique view. Therefore, ECE has both radial and oblique views with two hot sources for calibration and two couples of mirrors for two different optical views. It shall receive that the large electromagnetic (EM) loads up to 100-MN/m3 force density due to the eddy currents on the copper mirrors generated by the short transient plasma disruption. The simplified EM analysis model using magnetic field ( B ) data and flux variations (dB/dt) method based on the worst case of plasma disruption, MD_DW_EXP16MS_CATIII, has been developed to calculate the force and moments for each ECE component and support structure for EP9 DSM2 Bay2 and Bay3. The B and dB/dt methods use the constant B and dB/dt assumed for each local bay space, but the real B and dB/dt are basically varied along the radial direction of each bay. The complex global model with the local ECE components and support structure using Maxwell transient has been developed to do EM analysis to compare the results of the B and dB/dt models. The volumetric EM force density of the whole ECE components and support structure can be used for the subsequent structural analysis. In conclusion, combined with the thermal and nuclear loads and seismic and initial loads, the ECE integration analysis can be finalized for the operation case.

Fang, J. [Princeton Plasma Physics Laboratory (PPP↗

Pair plasma instability in homogeneous magnetic guide fields

Pair plasmas, collections of both matter and antimatter particles of equal mass, represent a paradigm for the study of basic plasma science, and many open questions exist regarding these unique systems. They are found in many astrophysical settings, such as gamma-ray bursts, and have recently also been produced in carefully designed laboratory experiments. A central research topic in plasma physics is instability; however, unlike their more common ion–electron siblings, pair plasmas are generally thought to be stable to cross field pressure gradients in homogeneous magnetic fields. It is shown here by means of kinetic full-f simulations that, when a pressure gradient is first established, the Gradient-driven Drift Coupling mode is destabilized and becomes turbulent. Force balance is eventually achieved by a combination of flattened pressure profiles due to turbulent transport and establishment of a magnetic field gradient, saturating the growth. During the unstable phase, key physics can be captured by a δf gyrokinetic description, where it is shown analytically and numerically that parallel particle motion results in a coupling of all electromagnetic field components. A fluid model derived therefrom accurately predicts linear eigenmodes and is used to resolve global profile effects. For laser-based electron–positron plasma experiments, prompt instability is predicted with growth times much shorter than plasma lifetimes. Similarly, growth rates are calculated for the planned APEX experiment as well as gamma-ray burst scenarios, suggesting that the instability may contribute to the early evolution of these systems.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Collisional Effects on Electron Trajectories in Crossed-Field Devices

Crossed-field diodes (CFDs) are used in multiple high-power applications and are characterized by an applied magnetic field orthogonal to the electric field, induced by the applied voltage across the anode-cathode gap. In vacuum, the Hull cutoff magnetic field (HCMF) represents the maximum applied magnetic field for which an electron from the cathode can reach the anode. This study investigates the effects of non-vacuum conditions on electron trajectories by introducing electron mobility, which represents particle collisions. We used numerical solutions of the electron force law and particle-in-cell simulations (XPDP1) to assess electron motion for various electron mobilities. For magnetic fields above the HCMF in vacuum, reducing the electron mobility increases the time for an electron emitted from the cathode to reach the anode. Reducing mobility below 22 C s/kg eliminates the HCMF for any magnetic field, meaning that an emitted electron will always cross the gap. We derived the magnetic field, mobility, and electron transit time corresponding to this condition by solving for the condition when the electron velocity in the direction across the anode-cathode gap going to zero at the anode. A parametric study of these conditions using theory and XPDP1 is performed under different gap distances, voltages, and magnetic fields.

42 ENGINEERING↗

Direct nanoscale mapping of open circuit voltages at local back surface fields for PERC solar cells

The open circuit voltage (V OC) is a critical and common indicator of solar cell performance as well as degradation, for panel down to lab-scale photovoltaics. Detecting V OC at the nanoscale is much more challenging, however, due to experimental limitations on spatial resolution, voltage resolution, and/or measurement times. Accordingly, in this work an approach based on Conductive Atomic Force Microscopy is implemented to directly detect the local V OC , notably for monocrystalline Passivated Emitter Rear Contact (PERC) cells which are the most common industrial-scale solar panel technology in production worldwide. This is demonstrated with cross-sectioned monocrystalline PERC cells around the entire circumference of a poly-Aluminum-Silicide via through the rear emitter. The V OC maps reveal a local Back Surface Field extending ~2 μm into the underlying p-type Si absorber due to Al in-diffusion as designed. Such high spatial resolution methods for photovoltaic performance mapping are especially promising for directly visualizing the effects of processing parameters, as well as identifying signatures of degradation for silicon and other solar cell technologies.

14 SOLAR ENERGY↗

Ultrasound Manipulation and Extrusion of Active Nanorods

Abstract Synthetic self‐propelled nano and microparticles have a growing appeal for targeted drug delivery, collective functionality, and manipulation at the nanoscale. However, it is challenging to control their positions and orientations under confinement, e.g., in microchannels, nozzles, and microcapillaries. This study reports on the synergistic effect of acoustic and flow‐induced focusing in microfluidic nozzles. In a microchannel with a nozzle, the balance between the acoustophoretic forces and the fluid drag due to streaming flows generated by the acoustic field controls the microparticle's dynamics. This study manipulates the positions and orientations of dispersed particles and dense clusters inside the channel at a fixed frequency by tuning the acoustic intensity. The main findings are: first, this study successfully manipulates the positions and orientations of individual particles and dense clusters inside the channel at a fixed frequency by tuning the acoustic intensity. Second, when an external flow is applied, the acoustic field separates and selectively extrudes shape‐anisotropic passive particles and self‐propelled active nanorods. Finally, the observed phenomena are explained by multiphysics finite‐element modeling. The results shed light on the control and extrusion of active particles in confined geometries and enable applications for acoustic cargo (e.g., drug) delivery, particle injection, and additive manufacturing via printed self‐propelled active particles.

36 MATERIALS SCIENCE↗

A Geometric Volume of Fluid-Based Multiphase Flow Solver Extension to the Reacting Flow Solver, PeleLM

A new algorithm is presented to simulate multiphase flows with surface tension in a pathway for spray combustion simulation. The algorithm combines capabilities from two open-source packages, including the interface reconstruction library (IRL), a library of computational geometry routines to enable the volume of fluid (VOF) method, and PeleLM, a solver for the reacting Navier-Stokes equations. Additionally, surface tension is implemented using the continuum surface force (CSF) model with an improved height function technique in the volume fraction field. Spurious errors in volume fraction arising from our combined strategy are corrected through a topology-based method that improves both numerical stability and accuracy. Multiple validation simulations are conducted, including (i) translations and rotations of Zalesak's disk, (ii) a stationary circular droplet with surface tension, (iii) an oscillating elliptical droplet, and (iv) three-dimensional deformation of a spherical droplet. Results indicate that the combined scheme retains the favorable properties of each of the component algorithms.

42 ENGINEERING↗

From predicting to learning dissipation from pair correlations of active liquids

Active systems, which are driven out of equilibrium by local non-conservative forces, can adopt unique behaviors and configurations. Towards designing such materials, an important challenge is to precisely connect the static structure of active systems to the dissipation of energy induced by the local driving. Here, we use tools from liquid-state theories and machine learning to take on these challenges. We first demonstrate analytically for an isotropic active matter system that dissipation and pair correlations are closely related when driving forces behave like an active temperature. We then extend a nonequilibrium mean-field framework for predicting these pair correlations which, unlike most existing approaches, is applicable even for strongly interacting particles and far from equilibrium, to predict dissipation in these systems. Based on this theory, we reveal analytically a robust relation between dissipation and structure which holds even as the system approaches a nonequilibrium phase transition. Finally, we construct a neural network which maps static configurations of particles to their dissipation rate without any prior knowledge of the underlying dynamics. Furthermore, our results open novel perspectives on the interplay between dissipation and organization out-of-equilibrium.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗