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Wetting properties of molecularly rough surfaces

We employ molecular dynamics simulations to study the wettability of nanoscale rough surfaces in systems governed by Lennard-Jones (LJ) interactions. We consider both smooth and molecularly rough planar surfaces. Solid substrates are modeled as a static collection of LJ particles arranged in a face-centered cubic lattice with the (100) surface exposed to the LJ fluid. Molecularly rough solid surfaces are prepared by removing several strips of LJ atoms from the external layers of the substrate, i.e., forming parallel nanogrooves on the surface. We vary the solid-fluid interactions to investigate strongly and weakly wettable surfaces. We determine the wetting properties by measuring the equilibrium droplet profiles that are in turn used to evaluate the contact angles. Macroscopic arguments, such as those leading to Wenzel’s law, suggest that surface roughness always amplifies the wetting properties of a lyophilic surface. However, our results indicate the opposite effect from roughness for microscopically corrugated surfaces, i.e., surface roughness deteriorates the substrate wettability. Adding the roughness to a strongly wettable surface shrinks the surface area wet with the liquid, and it either increases or only marginally affects the contact angle, depending on the degree of liquid adsorption into the nanogrooves. For a weakly wettable surface, the roughness changes the surface character from lyophilic to lyophobic due to a weakening of the solid-fluid interactions by the presence of the nanogrooves and the weaker adsorption of the liquid into the nanogrooves.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Final Technical Report for DOE DE-FG02-05ER54831 "Laboratory Studies of Dynamos."

Laboratory Studies of Dynamos: Executive Summary. The self-generation of magnetic fields by astrophysical bodies like planets, stars, accretion disks, galaxies, and even galaxy clusters arises due to a mechanism referred to as a homogeneous dynamo. It is quite simple to demonstrate the generation of a magnetic fi eld from a rotating copper disk coupled with a coil of wire, a device known as the homopolar dynamo. The device works like a magnetic fi eld ampli er with a feedback circuit: the differential rotation of a metal disk past an infinitesimally small seed magnetic field induces currents in the disk which, when coupled to a coil winding, can amplify the field until it becomes strong enough to slow the rotation of the disk. What is remarkable is that the same type of circuit may be achieved in a flowing conducting fluid such as a liquid metal in the case of planetary dynamos or a plasma in the case of astrophysical dynamos. The complexity of describing planetary and stellar dynamos despite their ubiquity and the plethora of observational data from the Earth and the Sun motivates the demonstration of a laboratory homogenous dynamo. To create a homogenous dynamo, one first needs a su fficiently large, fast flow of a highly conducting fluid that the velocity shear in the fluid can bend magnetic field lines. With a high Rm-flow, the magnetic fi eld can be ampli ed by the stretching action provided by di fferential rotation. The other critical ingredient is a flow geometry that provides feedback so that the ampli ed eld reinforces the initial in nitesimal seed field - a mechanism that recreates the feedback provided by the coil of wire in the homopolar dynamo. In the Madison Dynamo Experiment, this combination of magnetic ampli cation and feedback is feasible in the simple geometry of two counter-rotating helical vortices in a 1 meter-diameter spherical vessel lled with liquid sodium. For an optimal helical pitch of the flow the threshold for exciting a dynamo is predicted from laminar flow modeling to be at peak flow speeds of 5 m/s. Liquid metals tend to have viscosities similar to that of water yielding inviscid flows. Whereas the timescale for the dynamo instability is on the resistive dissipation time, the timescale for hydrodynamic instability of the shear layer is quite short meaning that the shear layer required to generate the magnetic eld is broken up by Kelvin-Helmholtz instabilities. The eddies generated by large-scale flow drive instabilities at progressively smaller scale giving rise to a cascade of turbulent eddies driven at the largest scale of the experiment. The major contribution of the Madison Dynamo Experiment has been quantifying the role this turbulence plays in the generation of magnetic elds. Overall, the Madison Dynamo Experiment has now operated for about 1 decade and carried out experiments related to magnetic fi eld generation by turbulent flows of liquid metal. The principle thrust of research and indeed the main scienti fic outcomes are related to how turbulent flows create and transport magnetic fi elds.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Simulations of ion acceleration at non-relativistic shocks. III. Particle diffusion

We use large hybrid (kinetic-protons-fluid-electrons) simulations to investigate the transport of energetic particles in self-consistent electromagnetic configurations of collisionless shocks. In previous papers of this series, we showed that ion acceleration may be very efficient (up to 10%-20% in energy), and outlined how the streaming of energetic particles amplifies the upstream magnetic field. Here, we measure particle diffusion around shocks with different strengths, finding that the mean free path for pitch-angle scattering of energetic ions is comparable with their gyroradii calculated in the self-generated turbulence. For moderately strong shocks, magnetic field amplification proceeds in the quasi-linear regime, and particles diffuse according to the self-generated diffusion coefficient, i.e., the scattering rate depends only on the amount of energy in modes with wavelengths comparable with the particle gyroradius. For very strong shocks, instead, the magnetic field is amplified up to non-linear levels, with most of the energy in modes with wavelengths comparable to the gyroradii of highest-energy ions, and energetic particles experience Bohm-like diffusion in the amplified field. We also show how enhanced diffusion facilitates the return of energetic particles to the shock, thereby determining the maximum energy that can be achieved in a given time via diffusive shock acceleration. The parameterization of the diffusion coefficient that we derive can be used to introduce self-consistent microphysics into large-scale models of cosmic ray acceleration in astrophysical sources, such as supernova remnants and clusters of galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗

Instabilities and Mixing in Inertial Confinement Fusion

By imploding fuel of hydrogen isotopes, inertial confinement fusion (ICF) aims to create conditions that mimic those in the Sun's core. This is fluid dynamics in an extreme regime, with the ultimate goal of making nuclear fusion a viable clean energy source. The fuel must be reliably and symmetrically compressed to temperatures exceeding 100 million degrees Celsius. After the best part of a century of research, the foremost fusion milestone was reached in 2021, when ICF became the first technology to achieve an igniting fusion fuel (thermonuclear instability), and then in 2022 scientific energy breakeven was attained. A key trade-off of the ICF platform is that greater fuel compression leads to higher burn efficiency, but at the expense of amplified Rayleigh–Taylor and Richtmyer–Meshkov instabilities and kinetic-energy-wasting asymmetries. In extreme cases, these three-dimensional instabilities can completely break up the implosion. Even in the highest-yielding 2022 scientific breakeven experiment, high-atomic-number (high-Z) contaminants were unintentionally injected into the fuel. Here we review the pivotal role that fluid dynamics plays in the construction of a stable implosion and the decades of improved understanding and isolated experiments that have contributed to fusion ignition.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Acoustic superfocusing by solid phononic crystals

We propose a solid phononic crystal lens capable of acoustic superfocusing beyond the diffraction limit. The unit cell of the crystal is formed by four rigid cylinders in a hosting material with a cavity arranged in the center. Theoretical studies reveal that the solid lens produces both negative refraction to focus propagating waves and surface states to amplify evanescent waves. Numerical analyses of the superfocusing effect of the considered solid phononic lens are presented with a separated source excitation to the lens. In this case, acoustic superfocusing beyond the diffraction limit is evidenced. Compared to the fluid phononic lenses, the solid lens is more suitable for ultrasonic imaging applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Microfluidic pressure amplifier circuits and electrostatic gates for pneumatic microsystems

An electrostatic actuator is provide that can include a fluidic line, a first electrode, and a second electrode such that a gate chamber portion of the fluidic line is sandwiched between the first electrode and the second electrode. The electrostatic actuator can also include a pressure-balancing channel in fluid communication with the gate chamber portion where the first electrode is sandwiched between the pressure-balancing channel and the gate chamber portion. A pneumatic valve system is provided which includes an electrostatic gate and a fluidic channel fluidly separate from a fluidic control line. A pneumatic valve portion of the fluidic control line can be positioned relative to a portion of the fluidic channel such that expansion of the pneumatic valve portion restricts fluid flow through the fluidic channel. Methods of using an electrostatic actuator and a pneumatic valve system are also provided.

42 ENGINEERING↗

Laser-plasma interactions in magnetized environment

Propagation and scattering of lasers present new phenomena and applications when the plasma medium becomes strongly magnetized. With mega-Gauss magnetic fields, scattering of optical lasers already becomes manifestly anisotropic. Special angles exist where coherent laser scattering is either enhanced or suppressed, as we demonstrate using a cold-fluid model. Consequently, by aiming laser beams at special angles, one may be able to optimize laser-plasma coupling in magnetized implosion experiments. In addition, magnetized scattering can be exploited to improve the performance of plasma-based laser pulse amplifiers. Using the magnetic field as an extra control variable, it is possible to produce optical pulses of higher intensity, as well as compress UV and soft x-ray pulses beyond the reach of other methods. In even stronger giga-Gauss magnetic fields, laser-plasma interaction enters a relativistic-quantum regime. Using quantum electrodynamics, we compute a modified wave dispersion relation, which enables correct interpretation of Faraday rotation measurements of strong magnetic fields.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Simulation of ENSO Teleconnections to Precipitation Extremes over the United States in the High-Resolution Version of E3SM

Abstract We evaluate the simulated teleconnection of El Niño–Southern Oscillation (ENSO) to winter season precipitation extremes over the United States in a long (98 years) 1950 control high-resolution version (HR; 25-km nominal atmosphere model horizontal resolution) of the U.S. Department of Energy’s (DOE) Energy Exascale Earth System Model version 1 (E3SMv1). The model bias and spatial pattern of ENSO teleconnections to mean and extreme precipitation in HR overall are similar to the low-resolution model’s (LR; 110 km) historical simulation (four-member ensemble, 1925–59). However, over the southeastern United States (SE-U.S.), HR produces stronger El Niño–associated extremes, reducing LR’s model bias. Both LR and HR produce weaker than observed increase in storm track activity during El Niño events there, but HR improves the ENSO-associated variability of moisture transport over SE-U.S. During El Niño, stronger vertical velocities in HR produce stronger large-scale precipitation, causing larger latent heating of the troposphere that pulls in more moisture from the Gulf of Mexico into the SE-U.S. This positive feedback also contributes to the stronger mean and extreme precipitation response in HR. Over the Pacific Northwest, LR’s bias of stronger than observed La Niña associated extremes is amplified in HR. Both models simulate stronger than observed moisture transport from the Pacific Ocean into the region during La Niña years. The amplified HR bias there is due to stronger orographically driven vertical updrafts that create stronger large-scale precipitation, despite weaker La Niña–induced storm track activity. Significance Statement New high-resolution Earth system models (ESMs) solve mathematical equations of fluid flow at much smaller spatial scales than prevalent ESMs, and thus are prohibitively expensive to compute. However, they can be useful for simulating accurate details of regional climate extremes that are driven by naturally occurring climate oscillations like El Niño–Southern Oscillation (ENSO). Here, we evaluate the simulation of ENSO-driven precipitation extremes over the United States in the high-resolution version of the U.S. Department of Energy’s new Energy Exascale Earth System Model version 1. We find that the high-resolution model improves upon its low-resolution counterpart over the southeastern United States by producing a better transport of moisture into the region from the Gulf of Mexico during El Niño. Over the U.S. Pacific Northwest, the high-resolution model simulates the atmospheric flow in more detail over the complex mountainous terrain. However, it also brings in more moisture from the Pacific Ocean just like the low-resolution model. This causes it to produce precipitation extremes during La Niña years there that are stronger than that observed in the real world.

54 ENVIRONMENTAL SCIENCES↗

Convective overstability in radially stratified accretion disks under thermal relaxation

This paper expands the stability criterion for radially stratified, vertically unstratified accretion disks incorporating thermal relaxation. We find a linear amplification of epicyclic oscillations in these disks that depends on the effective cooling time, i.e., an overstability. The growth rates of the overstability vanish for both extreme cases, e.g., infinite cooling time and instantaneous cooling, i.e., the adiabatic and fully isothermal cases. However, for thermal relaxation times τ on the order of the orbital frequency, τΩ ∼ 1, modes grow at a rate proportional to the square of the Brunt-Väisälä frequency. The overstability is based on epicyclic motions, with the thermal relaxation causing gas to heat while radially displaced inward and cool while radially displaced outward. This causes the gas to have a lower density when moving outward compared to when it moves inward, so it feels the outward-directed pressure force more strongly on that leg of the journey. We suggest the term 'convective overstability' for the phenomenon which has already been studied numerically in the nonlinear regime in the context of amplifying vortices in disks under the name 'subcritical baroclinic instability'. The aim of the present paper is to make clear that vortex formation in three-dimensional disks is not necessarily subcritical, i.e., does not need a finite perturbation, nor is it baroclinic in the sense of geophysical fluid dynamics, which requires on vertical shear. We find that convective overstability is a linear instability that will operate under a wide range of physical conditions for circumstellar disks.

79 ASTRONOMY AND ASTROPHYSICS↗

Effect of parallel flow on resonant layer responses in high beta plasmas

Abstract Resonant layers in a tokamak respond to non-axisymmetric magnetic perturbations by amplifying the mode amplitude and balancing the plasma rotation through magnetic reconnection and force balance, respectively. This resonant response can be characterized by local layer parameters and especially by a single quantity in the linear regime, the so-called inner-layer Δ. The computation of Δ under two-fluid drift-MHD formalism has been progressed by reducing the order of the system in the phase space, where the shielding current is approximated as being only carried by electrons, a posteriori . In this study, we relax the approximation and compute Δ accounted for by the parallel flow associated with the ion shielding current. The posteriori is numerically verified in great agreement with the original SLAYER developed in a previous paper (J.-K. Park 2022 Phys. Plasmas 29 072506). Extending the resonant layer response theory to high β plasmas, our research findings answer two important questions: how the parallel flow influences the resonant layer response and why the parallel flow effect appears in high β plasmas. The complicated plasma compression in high β regime allows the parallel flow response to give rise to the ion shielding current, which not only shifts the zero-crossing condition of the ExB flow but also enhances the field penetration threshold. Technically, the Riccati matrix transformation method is adapted to handle the numerical stiffness due to the increased order of the system. The high fidelity of this numerical method makes use of further extension of the model to higher-order systems to take other physical phenomena into account. This work is envisaged to predict the resonant layer response under high β fusion reactor conditions.

Lee, Yeongsun (ORCID:000000034474416X)↗

On the merit of hot ion mode for tearing mode stabilization

The stabilization of tearing modes with rf driven current benefits from the cooperative feedback loop between rf power deposition and electron temperature within the island. This effect, termed rf current condensation, can greatly enhance and localize the current driven within magnetic islands. It has previously been shown that the condensation effect opens the possibility of passive stabilization with broad rf profiles, as would be typical of LHCD for steady state operation. Here, we show that this self-healing effect can be dramatically amplified by operation in a hot ion mode, due to the additional electron heat source provided by the hotter ions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Correlations far from equilibrium in charged strongly coupled fluids subjected to a strong magnetic field

Within a holographic model, we calculate the time evolution of 2-point and 1-point correlation functions (of selected operators) within a charged strongly coupled system of many particles. That system is thermalizing from an anisotropic initial charged state far from equilibrium towards equilibrium while subjected to a constant external magnetic field. One main result is that thermalization times for 2-point functions are significantly (approximately three times) larger than those of 1-point functions. Magnetic field and charge amplify this difference, generally increasing thermalization times. However, there is also a competition of scales between charge density, magnetic field, and initial anisotropy, which leads to an array of qualitative changes on the 2- and 1-point functions. There appears to be a strong effect of the medium on 2-point functions at early times, but approximately none at later times. At strong magnetic fields, an apparently universal thermalization time emerges, at which all 2-point functions appear to thermalize regardless of any other scale in the system. Hence, this time scale is referred to as saturation time scale. As extremality is approached in the purely charged case, 2- and 1-point functions appear to equilibrate at infinitely late time. We also compute 2-point functions of charged operators. Our results can be taken to model thermalization in heavy ion collisions, or thermalization in selected condensed matter systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Ponderomotive recoil for electromagnetic waves

When waves damp or amplify on resonant particles in a plasma, nonresonant particles experience a recoil force that conserves the total momentum between particles and electromagnetic fields. This force is important to understand, as it can completely negate current drive and rotation drive mechanisms that are predicted on the basis of only resonant particles. Here, the existing electrostatic theory of this recoil force is extended to electromagnetic waves. While the result bears close similarity to historical fluid theories of laser–plasma interactions, it now incorporates both resonant and nonresonant particles, allowing momentum conservation to be self-consistently proven. Furthermore, the result is shown to be generally valid for kinetic plasmas, which is verified through single-particle hot-plasma simulations. Here, the new form of the force provides physical insight into the nature of the generalized Minkowski (plasmon) momentum of geometrical optics, which is shown to correspond to the momentum gained by the field and nonresonant particles as the wave is self-consistently ramped up from vanishing amplitude.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Temperature and CO 2 interactively drive shifts in the compositional and functional structure of peatland protist communities

Microbes affect the global carbon cycle that influences climate change and are in turn influenced by environmental change. Here, we use data from a long-term whole-ecosystem warming experiment at a boreal peatland to answer how temperature and CO 2 jointly influence communities of abundant, diverse, yet poorly understood, non-fungi microbial Eukaryotes (protists). These microbes influence ecosystem function directly through photosynthesis and respiration, and indirectly, through predation on decomposers (bacteria and fungi). Using a combination of high-throughput fluid imaging and 18S amplicon sequencing, we report large climate-induced, community-wide shifts in the community functional composition of these microbes (size, shape, and metabolism) that could alter overall function in peatlands. Importantly, we demonstrate a taxonomic convergence but a functional divergence in response to warming and elevated CO 2 with most environmental responses being contingent on organismal size: warming effects on functional composition are reversed by elevated CO 2 and amplified in larger microbes but not smaller ones. Furthermore, these findings show how the interactive effects of warming and rising CO 2 levels could alter the structure and function of peatland microbial food webs—a fragile ecosystem that stores upwards of 25% of all terrestrial carbon and is increasingly threatened by human exploitation.

54 ENVIRONMENTAL SCIENCES↗

Resting myocardial blood flow quantification using contrast-enhanced magnetic resonance imaging in the presence of stenosis: A computational fluid dynamics study

Purpose: The extent to which atherosclerotic plaques affect contrast agent (CA) transport in the coronary arteries and, hence, quantification of myocardial blood flow (MBF) using magnetic resonance imaging (MRI) is unclear. The purpose of this work was to evaluate the influence of plaque induced stenosis both on CA transport and on the accuracy of MBF quantification. Methods: Computational fluid dynamics simulations in a high-detailed realistic vascular model were employed to investigate CA bolus transport in the coronary arteries. The impact of atherosclerosis was analyzed by inserting various medium- to high-grade stenoses in the vascular model. The influence of stenosis morphology was examined by varying the stenosis shapes but keeping the area reduction constant. Errors due to CA bolus transport were analyzed using the tracer-kinetic model MMID4. Results: Dispersion of the CA bolus was found in all models and for all outlets, but with a varying magnitude. The impact of stenosis was complex: while high-grade stenoses amplified dispersion, mild stenoses reduced the effect. Morphology was found to have a marked influence on dispersion for a small number of outlets in the post-stenotic region. Despite this marked influence on the concentration–time curves, MBF errors were less affected by stenosis. In total, MBF was underestimated by −7.9% to −44.9%. Conclusions: The presented results reveal that local hemodynamics in the coronary vasculature appears to have a direct impact on CA bolus dispersion. Inclusion of atherosclerotic plaques resulted in a complex alteration of this effect, with both degree of area reduction and stenosis morphology affecting the amount of dispersion. This strong influence of vascular transport effects impairs the accuracy of MRI-based MBF quantification techniques and, potentially, other bolus-based perfusion measurement techniques like computed tomography perfusion imaging.

60 APPLIED LIFE SCIENCES↗

Reaction heterogeneity in practical high-energy lithium–sulfur pouch cells

The lithium–sulfur (Li–S) battery is a promising next-generation energy storage technology because of its high theoretical energy and low cost. Extensive research efforts have been made on new materials and advanced characterization techniques for mechanistic studies. However, it is uncertain how discoveries made on the material level apply to realistic batteries due to limited analysis and characterization of real high-energy cells, such as pouch cells. Evaluation of pouch cells (>1 A h) (instead of coin cells) that are scalable to practical cells provides a critical understanding of current limitations which enables the proposal of strategies and solutions for further performance improvement. Herein, we design and fabricate pouch cells over 300 W h kg -1 , compare the cell parameters required for high-energy pouch cells, and investigate the reaction processes and their correlation to cell cycling behavior and failure mechanisms. Spatially resolved characterization techniques and fluid-flow simulation reveal the impacts of the liquid electrolyte diffusion within the pouch cells. We found that catastrophic failure of high-energy Li–S pouch cells results from uneven sulfur/polysulfide reactions and electrolyte depletion for the first tens of cycles, rather than sulfur dissolution as commonly reported in the literature. The uneven reaction stems from limited electrolyte diffusion through the porous channels into the central part of thick cathodes during cycling, which is amplified both across the sulfur electrodes and within the same electrode plane. A combination of strategies is suggested to increase sulfur utilization, improve nanoarchitectures for electrolyte diffusion and reduce consumption of the electrolytes and additives.

25 ENERGY STORAGE↗

The link between shocks, turbulence, and magnetic reconnection in collisionless plasmas

Global hybrid (electron fluid, kinetic ions) and fully kinetic simulations of the magnetosphere have been used to show surprising interconnection between shocks, turbulence, and magnetic reconnection. In particular, collisionless shocks with their reflected ions that can get upstream before retransmission can generate previously unforeseen phenomena in the post shocked flows: (i) formation of reconnecting current sheets and magnetic islands with sizes up to tens of ion inertial length. (ii) Generation of large scale low frequency electromagnetic waves that are compressed and amplified as they cross the shock. These “wavefronts” maintain their integrity for tens of ion cyclotron times but eventually disrupt and dissipate their energy. (iii) Rippling of the shock front, which can in turn lead to formation of fast collimated jets extending to hundreds of ion inertial lengths downstream of the shock. The jets, which have high dynamical pressure, “stir” the downstream region, creating large scale disturbances such as vortices, sunward flows, and can trigger flux ropes along the magnetopause. This phenomenology closes the loop between shocks, turbulence, and magnetic reconnection in ways previously unrealized. These interconnections appear generic for the collisionless plasmas typical of space and are expected even at planar shocks, although they will also occur at curved shocks as occur at planets or around ejecta.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗