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At least 739 records · Page 41

Pore‐Scale Modeling of Carbon Dioxide and Hydrogen Transport During Geologic Gas Storage

Abstract Geologic storage of CO 2 and H 2 are climate‐positive techniques for meeting the energy transition. While similar formations could be considered for both gases, the flow dynamics could differ due to differences in their thermophysical properties. We conduct a rigorous pore‐scale study of water/CO 2 and water/H 2 systems at relevant reservoir conditions in a Bentheimer rock sample using the lattice Boltzmann method to quantify the effects of capillary, viscous, inertial, and wetting forces during gas invasion. At similar conditions, H 2 invasion is weaker compared to CO 2 due to unfavorable viscosity ratios. Increasing flow rate, however, increases the breakthrough saturation for both gas systems in the range of capillary numbers studied. At isolated conditions of flow rate, viscosity ratio, and wettability, local inertial effects are found to be critical and show consistent increase in the invaded gas saturation. The effect of inertial forces persits for both gases across all field conditions tested.

58 GEOSCIENCES↗

Analysis of coherent Thomson scattering from a low temperature plasma

In this work, the spectrum of coherent Thomson scattering (CTS) induced by a periodic ponderomotive perturbation in a low-density low temperature plasma is considered. The analysis is performed for the case when the period of the resulting optical lattice is less than the Debye screening length in the plasma by solving an electron Boltzmann equation, where the total force is the sum of the periodic force due to the optical lattice and the electrostatic force due to self-consistent electric field in the plasma. An analogy between the CTS spectra calculated here and coherent Rayleigh scattering spectra in a neutral gas is established. For relatively low intensity for the optical lattice, the calculated CTS spectra are nearly Gaussian with widths slightly wider than the incoherent Thomson widths. We demonstrate that at higher intensities the line shape narrows and saturates to a width approximately half of that found at low lattice intensities. The proportionality of the spectral width to the square root of the electron temperature allows one to extract the electron temperature from the saturated spectra. Possible application of CTS for remote measuring the electron temperature in plasma is discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

van der Waals interaction as the starting point for an effective field theory

We consider the system of three 4 He atoms to assess whether a pure van der Waals potential can be used as a starting point for an effective field theory to describe three-body processes in ultracold atomic systems. Using a long-range van der Waals interaction in combination with short-distance two-body counterterms, we analyze the dependence of two- and three-body observables on the short-distance regulator that is required due to the singular nature of the van der Waals interaction. We benchmark our approach with results obtained with the realistic 4 He- 4 He LM2M2 potential and find good agreement. We furthermore show that in this effective field theory approach no three-body force is required at leading order and that universal van der Waals physics leads to a universal correlation between three-body observables in the absence of an Efimov three-body parameter.

74 ATOMIC AND MOLECULAR PHYSICS↗

Synthetic Ancillary Service Generator (SynAS) v1

The balance of demand and supply in the electric power grid is a crucial element to grid reliability. While balancing is typically provided by conventional power plants, with spinning generators, distributed energy resources (DER) and especially electric vehicles (EVs) pose a great potential to provide such service. This project conducted a field demonstration at the Los Angeles Air Force Base (LA-AFB) where a fleet of mixed-use bi-directional EVs were actively participating in the California Independent System Operator (CAISO) market for frequency regulation. While participation in regulation markets is promising, a major drawback in designing control systems and assessing potential revenue is the lack of example frequency regulation signals. This project introduces an open-source dataset for 143 days of four-second regulation data, and the SynAS Python module to synthetically generate frequency regulation signals of arbitrary length.

Black, DouglasR↗

Toward Emittance Measurements at 11.7 GHz Short-Pulse High-Gradient RF Gun

A short pulse high gradient RF gun has been recently tested at Argonne Wakefield Accelerator (AWA) facility. The carried-out test showed that the 1,5-cell gun was able to inject 3 MeV, up to 100 pC bunches at room tem-perature being fed by 9 ns up to 300 MW 11.7 GHz puls-es. The cathode field was as high as about 400 MV/m. So high field is aimed to mitigate repealing Coulomb forces substantially. In accordance with simulations the emit-tance could be as low as less than 0.2 mcm. To obtain so low emittance in the experiment, the gun is assumed to be equipped with a downstream linac to be fed from the same power extractor as the gun itself. Here we report design of the RF power distribution system splitting RF power among the gun and the linac, results of low-power tests, and emittance measurement plans for upcoming new experiment at AWA.

43 PARTICLE ACCELERATORS↗

The Impact of Model Resolution on the Southern Hemisphere in Community Climate System Model Version 4 Idealized Climate Simulations

Model resolution plays a large role in accurately simulating the Southern Hemisphere circulation in both the ocean and atmosphere. Resolving the mesoscale field is important as it has been shown to have a significant impact on the large-scale climate in eddy-rich regions, which are regions of large CO2 absorption. The presence of ocean and atmospheric mesoscale features can affect sea surface temperatures, the strength and location of storm tracks, and many other air-sea processes. Additionally, with an improvement in resolution, the eddy kinetic energy in the ocean can be expected to change considerably. The significance model resolution has on the Southern Hemisphere is examined using the Community Climate System Model, Version 4, eddy-parameterizing and eddy-resolving simulations. The CO2 concentrations and ozone levels are specified independently to better understand how the mesoscale field responds to extreme changes in external forcing and the resulting climate impacts. Overall, in the eddy-parameterizing simulations, the ozone forcing is found to be more important than the changes in CO2 concentrations. However, in the case of the eddy-resolving simulations, the CO2 concentrations are found to be more dominant, especially in eddy-rich regions. These results demonstrate the need for an increase in model resolution for climate prediction.

Daher, Houraa (ORCID:0000000200177346)↗

In-field bioreactors demonstrate dynamic shifts in microbial communities in response to geochemical perturbations

Subsurface microbial communities mediate the transformation and fate of redox sensitive materials including organic matter, metals and radionuclides. Few studies have explored how changing geochemical conditions influence the composition of groundwater microbial communities over time. We temporally monitored alterations in abiotic forces on microbial community structure using 1L in-field bioreactors receiving background and contaminated groundwater at the Oak Ridge Reservation, TN. Planktonic and biofilm microbial communities were initialized with background water for 4 days to establish communities in triplicate control reactors and triplicate test reactors and then fed filtered water for 14 days. On day 18, three reactors were switched to receive filtered groundwater from a contaminated well, enriched in total dissolved solids relative to the background site, particularly chloride, nitrate, uranium, and sulfate. Biological and geochemical data were collected throughout the experiment, including planktonic and biofilm DNA for 16S rRNA amplicon sequencing, cell counts, total protein, anions, cations, trace metals, organic acids, bicarbonate, pH, Eh, DO, and conductivity. We observed significant shifts in both planktonic and biofilm microbial communities receiving contaminated water. This included a loss of rare taxa, especially amongst members of the Bacteroidetes, Acidobacteria, Chloroflexi, and Betaproteobacteria, but enrichment in the Fe- and nitrate- reducing Ferribacterium and parasitic Bdellovibrio. These shifted communities were more similar to the contaminated well community, suggesting that geochemical forces substantially influence microbial community diversity and structure. These influences can only be captured through such comprehensive temporal studies, which also enable more robust and accurate predictive models to be developed.

59 BASIC BIOLOGICAL SCIENCES↗

Repulsive black holes and higher-derivatives

In two-derivative theories of gravity coupled to matter, charged black holes are self-attractive at large distances, with the force vanishing at zero temperature. However, in the presence of massless scalar fields and four-derivative corrections, zero-temperature black holes no longer need to obey the no-force condition. In this paper, we show how to calculate the long-range force between such black holes. We develop an efficient method for computing the higher-derivative corrections to the scalar charges when the theory has a shift symmetry, and compute the resulting force in a variety of examples. We find that higher-derivative corrected black holes may be self-attractive or self-repulsive, depending on the value of the Wilson coefficients and the VEVs of scalar moduli. Indeed, we find black hole solutions which are both superextremal and self-attractive. Furthermore, we present examples where no choice of higher-derivative coefficients allows for self-repulsive black hole states in all directions in charge space. This suggests that, unlike the Weak Gravity Conjecture, which may be satisfied by the black hole spectrum alone, the Repulsive Force Conjecture requires additional constraints on the spectrum of charged particles.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Computational general relativistic force-free electrodynamics: II. Characterization of numerical diffusivity

Scientific codes are an indispensable link between theory and experiment; in (astro-)plasma physics, such numerical tools are one window into the universe’s most extreme flows of energy. The discretization of Maxwell’s equations – needed to make highly magnetized (astro)physical plasma amenable to its numerical modeling – introduces numerical diffusion. It acts as a source of dissipation independent of the system’s physical constituents. Understanding the numerical diffusion of scientific codes is the key to classifying their reliability. It gives specific limits in which the results of numerical experiments are physical. We aim at quantifying and characterizing the numerical diffusion properties of our recently developed numerical tool for the simulation of general relativistic force-free electrodynamics by calibrating and comparing it with other strategies found in the literature. Our code correctly models smooth waves of highly magnetized plasma. We evaluate the limits of general relativistic force-free electrodynamics in the context of current sheets and tearing mode instabilities. We identify that the current parallel to the magnetic field (j ∥ ), in combination with the breakdown of general relativistic force-free electrodynamics across current sheets, impairs the physical modeling of resistive instabilities. We find that at least eight numerical cells per characteristic size of interest (e.g., the wavelength in plasma waves or the transverse width of a current sheet) are needed to find consistency between resistivity of numerical and of physical origins. High-order discretization of the force-free current allows us to provide almost ideal orders of convergence for (smooth) plasma wave dynamics. The physical modeling of resistive layers requires suitable current prescriptions or a sub-grid modeling for the evolution of j ∥ .

79 ASTRONOMY AND ASTROPHYSICS↗

Transition from wall modes to multimodality in liquid gallium magnetoconvection

Coupled laboratory-numerical experiments of Rayleigh-Bénard convection in liquid gallium subject to a vertical magnetic field are presented. The experiments are carried out in two cylindrical containers with diameter-to-height aspect ratio Γ = 1.0 and 2.0 at varying thermal forcing (Rayleigh numbers 10 5 ≲ Ra ≲ 10 8 ) and magnetic field strength (Chandrasekhar numbers 0 ≲ Ch ≲ 3 × 10 5 ). Laboratory measurements and numerical simulations confirm that magnetoconvection in our finite cylindrical tanks onsets via nondrifting wall-attached modes, in good agreement with asymptotic predictions for a semi-infinite domain. With increasing supercriticality, the experimental and numerical thermal measurements and the numerical velocity data reveal transitions between wall mode states with different azimuthal mode numbers and between wall-dominated convection to wall and interior multimodality. These transitions are also reflected in the heat transfer data, which combined with previous studies connect onset to supercritical turbulent behaviors in liquid metal magnetoconvection over a large parameter space. The gross heat transfer behaviors between magnetoconvection and rotating convection in liquid metals are compared and discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Enhanced active-site electric field accelerates enzyme catalysis

In this study, the design and improvement of enzymes based on physical principles remain challenging. Here we demonstrate that the principle of electrostatic catalysis can be leveraged to substantially improve a natural enzyme’s activity. We enhanced the active-site electric field in horse liver alcohol dehydrogenase by replacing the serine hydrogen-bond donor with threonine and replacing the catalytic Zn 2+ with Co 2+ . Based on the electric field enhancement, we make a quantitative prediction of rate acceleration—50-fold faster than the wild-type enzyme—which was in close agreement with experimental measurements. The effects of the hydrogen bonding and metal coordination, two distinct chemical forces, are described by a unified physical quantity—electric field, which is quantitative, and shown here to be additive and predictive. These results suggest a new design paradigm for both biological and non-biological catalysts.

59 BASIC BIOLOGICAL SCIENCES↗

Remote Influence of Andean Convection on Amazonian Rainfall and Its Mechanisms

Models from Coupled Model Intercomparison Project Phase 6 produce too much precipitation over the Andes but too little over the Amazon or the Wet Andes-Dry Amazon (WADA) bias pattern. Unlike the conventional view that convection parameterization and land model deficiencies can contribute to Amazonian rainfall biases, we approach this long-standing biased model behavior through the lens of Andean convection. Using Community Earth System Model v1.1 and focusing on the wet season, our mechanism-denial experiments demonstrate that Andean convection notably reduces precipitation over the Amazon during austral summer. The Andean forced Amazonian response operates on weather timescale. Furthermore, the reduction of Amazonian rainfall is detectable within a few hours after initial Andean forcing. The precipitation response is primarily driven by variations in the moisture budget and is moderated by changes in convective available potential energy over the Amazon. Changes in the total advection of moisture over the Amazon are dominated by the vertical advection term and can be attributed to discrepancies in the dynamic omega field. In the experiments, the Andean east flank region is scrutinized where the vertical velocity and moisture fields play an intermediary role for the Andean driven WADA connection. The Andean forcing induces descending anomalies on the Andean east flank. The disturbances of wind and geopotential fields over the Andean east flank propagate eastward via Kelvin waves. Over the Amazon, descending anomalies and advective drying lead to reduction of mid-to-high level cloud, increase of shortwave cloud forcing and surface net radiation, and enhancement of themodynamic stability and rainfall reduction.

58 GEOSCIENCES↗

Ponderomotive force driven density modifications parallel to B on the LAPD

The ponderomotive force has previously been identified as a possible driver of observed density modifications close to radio frequency actuators during operation. This nonlinear force redistributes density in regions of gradients in the magnitude of an oscillating electric field and describes the influence of the fast time scale RF wave dynamics on slow time scale plasma transport. Depletion of the saturation current (a proxy for the density) measured at the Large Plasma Device (LAPD) was 30–35% during ion cyclotron range of frequencies operation. A coupled 1D plasma transport and cold plasma frequency domain wave solver was developed to self-consistently describe ponderomotive effects and was used to compare with results obtained from the LAPD experiment. The scaled current density driver for the wave model yielded an RF B field in close agreement with two components of the experimental data. However, the 1D parallel model did not accurately reproduce the amplitude or spatial distribution observed in experimental measurements of By. Within the limitations of the 1D model, initial simulation results showed that the ponderomotive force depleted up to 8% for high power (1 MW) and around 1% for the experimental power of 120 kW. This could suggest that the ponderomotive force is not the main driver of density modification for the LAPD experiments presented in this paper. Higher fidelity tools of at least 2D will be required to give a more realistic description of the RF E fields and the effect of the ponderomotive force on the LAPD.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Thermodynamics and collisionality in firehose-susceptible high- β plasmas

We study the evolution of collisionless plasmas that, due to their macroscopic evolution, are susceptible to the firehose instability, using both analytic theory and hybrid-kinetic particle-in-cell simulations. We establish that, depending on the relative magnitude of the plasma β, the characteristic time scale of macroscopic evolution and the ion-Larmor frequency, the saturation of the firehose instability in high-β plasmas can result in three qualitatively distinct thermodynamic (and electromagnetic) states. By contrast with the previously identified ‘ultra-high-beta’ and ‘Alfvén-inhibiting’ states, the newly identified ‘Alfvén-enabling’ state, which is realised when the macroscopic evolution time τ exceeds the ion-Larmor frequency by a β-dependent critical parameter, can support linear Alfvén waves and Alfvénic turbulence because the magnetic tension associated with the plasma’s macroscopic magnetic field is never completely negated by anisotropic pressure forces. We characterise these states in detail, including their saturated magnetic-energy spectra. The effective collision operator associated with the firehose fluctuations is also described; we find it to be well approximated in the Alfvén-enabling state by a simple quasi-linear pitch-angle scattering operator. The box-averaged collision frequency is ν eff ∼ β/τ, in agreement with previous results, but certain subpopulations of particles scatter at a much larger (or smaller) rate depending on their velocity in the direction parallel to the magnetic field. Our findings are essential for understanding low-collisionality astrophysical plasmas including the solar wind, the intracluster medium of galaxy clusters and black hole accretion flows. We show that all three of these plasmas are in the Alfvén-enabling regime of firehose saturation and discuss the implications of this result.

astrophysical plasmas↗

Dendrite Growth Morphology Modeling in Liquid and Solid Electrolytes

The main goal of this project is to develop a multi-scale modeling approach that connects micron-scale phase-field models and atomic-scale density functional theory (DFT)-based simulations via parameter- and relationship-passing in order to predict Li-metal dendrite morphology evolution, in both liquid and solid electrolytes. The key hypothesis of the DFT-informed phase-field multiscale modeling approach is that it can capture the electrochemical-mechanical driving forces and incorporate the roles of nano-meter-thin solid electrolyte interphase (SEI) in liquid electrolytes as well as of the microstructures of micro-meter-thick solid electrolytes (SEs) for all-solid-state batteries. In this project, we have formulated and implemented phase-field models to incorporate the electrochemical driving forces in liquid electrolytes and then incorporate mechanical driving forces to simulate dendrite growth in solid electrolytes with resolved microstructures. We have implemented two treatments for the SEI: an explicit model to include the microstructure of the SE or SEI in the phase field model and an implicit model to simulate the impact of nano-meter thick SEI in liquid electrolytes by varying the electrode/electrolyte interfacial properties. The key interfacial properties, including the electronic and ionic transport properties, the charge transfer reaction kinetics, and mechanical properties, were computed by DFT-based calculations. At the DFT-based model, one key advancement is to directly predict the charge transfer reaction kinetics at a complex Li/SEI/electrolyte interface by linking DFT with density functional tight binding (DFTB) calculations. As the main accomplishments, we have demonstrated two successful predictions in both solid electrolyte and liquid electrolyte based on this multiscale approach. The predicted intergranular Li dendrite growth in LLZO revealed the importance of trapped electrons at internal interfaces in the microstructure of LLZO. The predicted electroplating morphology of mossy Li and faceted Mg agreed well with experiments. The insights provided by the multiscale model and the model enabled electrolyte and SEI design will accelerate the development of Li-metal electrode for high energy density batteries, that meet DOE’s target on cell density (>350 Wh/kg) and cost below $100/kWhuse for EV applications.

25 ENERGY STORAGE↗

Chiral properties of the zero-field spiral state and field-induced magnetic phases of the itinerant kagome metal YMn 6 Sn 6

Applying a magnetic field in the hexagonal plane of YMn 6 Sn 6 leads to a complex magnetic phase diagram of commensurate and incommensurate phases, one of which coexists with the topological Hall effect (THE) generated by a unique fluctuation-driven mechanism. Using unpolarized neutron diffraction, we report on the solved magnetic structure for two previously identified, but unknown, commensurate phases. These include a low-temperature, high-field fanlike phase and a room-temperature, low-field canted antiferromagnetic phase. Here, an intermediate incommensurate phase between the fanlike and forced ferromagnetic phases is also identified as the last known phase of the in-plane field-temperature diagram. Additional characterization using synchrotron powder diffraction reveals extremely high-quality, single-phase crystals, which suggests that the presence of two incommensurate magnetic structures throughout much of the phase diagram is an intrinsic property of the system. Interestingly, polarized neutron diffraction shows that the centrosymmetric system hosts preferential chirality in the zero-field double-flat-spiral phase, which, along with the THE, is a topologically nontrivial characteristic.

36 MATERIALS SCIENCE↗

Stellarator Simplification using Permanent Magnets (PM4Stell)

This Report describes the design and prototyping of an array of rare-Earth permanent magnets to form a stellarator. This effort was motivated by the hypothesis that the usage of permanent magnets, rather than electromagnetic coils with complex geometry, could reduce the cost of stellarator construction and thereby make increase the feasibility of the stellarator as a technology for a fusion-based power plant. In this project, we have developed novel methods for specifying the positions, shapes, and polarizations of the magnets in the array, and have developed designs for mounting structures and tooling for assembly. We have also performed detailed finite-element modeling to qualify the accuracy of the magnetic field produced by the magnet array as designed, and to confirm that the structure can withstand the forces between the magnets. We have also developed techniques for measuring the magnetic field produced by the array once constructed, as well as for correcting errors in the field arising from misalignments and offsets within the tolerances for mounting and fabrication. Finally, we have constructed a tabletop prototype of a section of the array to qualify the concept for assembling and mounting magnets within the array.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Stellarator Simplification using Permanent Magnets (PM4Stell)

This Report describes the design and prototyping of an array of rare-Earth permanent magnets to form a stellarator. This effort was motivated by the hypothesis that the usage of permanent magnets, rather than electromagnetic coils with complex geometry, could reduce the cost of stellarator construction and thereby make increase the feasibility of the stellarator as a technology for a fusion-based power plant. In this project, we have developed novel methods for specifying the positions, shapes, and polarizations of the magnets in the array, and have developed designs for mounting structures and tooling for assembly. We have also performed detailed finite-element modeling to qualify the accuracy of the magnetic field produced by the magnet array as designed, and to confirm that the structure can withstand the forces between the magnets. We have also developed techniques for measuring the magnetic field produced by the array once constructed, as well as for correcting errors in the field arising from misalignments and offsets within the tolerances for mounting and fabrication. Finally, we have constructed a tabletop prototype of a section of the array to qualify the concept for assembling and mounting magnets within the array.

47 OTHER INSTRUMENTATION↗