The 2-D radial vs. poloidal cross-correlation functions of edge plasma turbulence were measured near the outer midplane using the gas puff imaging (GPI) diagnostic on NSTX. These correlation functions were evaluated at radii r= 0 cm, ±3 cm, and ±6 cm from the separatrix and poloidal locations p=0 cm and ±7.5 cm from the GPI poloidal center line for 20 different shots. The ellipticity ε and tilt angle φ of the positive cross- correlation regions, and the minimum negative cross-correlation “cmin” and total negative over positive values “neg/pos” were evaluated for each of these cases. The average results over this data set were ε=2.2±0.9, φ=87±34o (i.e. poloidally oriented), cmin= -0.30±0.15, and neg/pos=0.25±0.24. Thus there was significant variation in these correlation results within this database, with dependences on the location within the image, the magnetic geometry, and the plasma parameters. Possible causes for this variation are discussed, including the misalignment of the GPI view with the local B field line, the magnetic shear of field lines in the edge, the poloidal flow shear of the turbulence, blob-hole correlations, and the neutral density ‘shadowing’ effect in GPI.
In this comment, we point out possible critical numerical flaws of recent particle simulation studies (Jiang et al 2016 Nucl. Fusion 56 126017, Peng et al 2018 Nucl. Fusion 58 026007) on the electrical gas breakdown in a simple one-dimensional periodic slab geometry. We show that their observations on the effects of the ambipolar electric fields during the breakdown, such as the sudden reversal of the ion flow direction, could not be real physical phenomena but resulting from numerical artifacts violating the momentum conservation law. We show that an incomplete implementation of the direct-implicit scheme can cause the artificial electric fields and plasma transports resulting in fallacies in simulation results. We also discuss that their simple plasma model without considering poloidal magnetic fields seriously mislead the physical mechanism of the electrical gas breakdown because it cannot reflect important dominant plasma dynamics in the poloidal plane (Yoo et al 2018 Nat. Commun. 9 3523).
This dataset contains example input files, training data sets and potential files related to the publication "First-principles-based Machine Learning Models for Phase Behavior and Transport Properties of CO2." by Mathur et al (2023). In this work, we developed machine learning models for CO2 based on different exchange-correlation DFT functionals. We assessed their performance on liquid densities, vapor-liquid equilibrium and transport properties.
The materials include codes and example input / output files for Monte Carlo simulations of lattice chains in the grand canonical ensemble, for determining phase behavior, critical points, and formation of aggregates.
Non-axisymmetric magnetic fields arising in a tokamak either by external or internal perturbations can induce complex non-ideal MHD responses in their resonant surfaces while remaining ideally evolved elsewhere. This layer response can be characterized in a linear regime by a single parameter called the inner-layer Delta, which enables outer-layer matching and the prediction of torque balance to non-linear island regimes. Here, we follow strictly one of the most comprehensive analytic treatments including two-fluid and drift MHD effects and keep the fidelity of the formulation by incorporating the numerical method based on the Riccati transformation when quantifying the inner-layer Delta. The proposed scheme reproduces not only the predicted responses in essentially all asymptotic regimes but also with continuous transitions as well as improved accuracies. In particular, the Delta variations across the inertial regimes with viscous or semi-collisional effects have been further resolved, in comparison with additional analytic solutions. The results imply greater shielding of the electromagnetic torque at the layer than what would be expected by earlier work when the viscous or semi-collisional effects can compete against the inertial effects, and also due to the intermediate regulation by kinetic Alfven wave resonances as rotation slows down. These are important features that can alter the nonaxisymmetric plasma responses including the field penetration by external fields or island seeding process in rotating tokamak plasmas.
Fractures in geological formations may enable migration of environmentally relevant fluids, as in leakage of CO2 through caprocks in geologic carbon sequestration. We investigated geochemically induced alterations of fracture geometry in Indiana Limestone specimens. Experiments were the first of their kind, with periodic high-resolution imaging using X-ray computed tomography (xCT) scanning while maintaining high pore pressure (100 bar). We studied two CO2-acidified brines having the same pH (3.3) and comparable thermodynamic
disequilibrium but different equilibrated pressures of CO2 (PCO2 values of 12 and 77 bar). High-PCO2 brine has a faster calcite dissolution kinetic rate because of the accelerating effect of carbonic acid. Contrary to expectations, dissolution extents were comparable in the two experiments. However, progressive xCT
images revealed extensive channelization for high PCO2, explained by strong positive feedback between ongoing flow and reaction. The pronounced channel increasingly directed flow to a small region of the fracture, which explains why the overall dissolution was lower than expected. Despite this, flow simulations revealed large increases in permeability in the high-PCO2 experiment. This study shows that the permeability evolution of dissolving fractures will be larger for faster-reacting fluids. The overall mechanism is not because more rock dissolves, as would be commonly assumed, but because of accelerated fracture channelization.
Geochemical and geomechanical perturbations of the subsurface caused by the injection of fluids present the risk of leakage and seismicity. This study investigated how flow of acidic fluids affects hydraulic and frictional properties of fractures using experiments with 3.8 cm-long specimens of Eagle Ford shale, a laminated shale with carbonate-rich strata. In low-pressure flow cells, one set of samples was exposed to an acidic brine and another set was exposed to a neutral brine. X-ray computed tomography and x-ray fluorescence analysis revealed that samples exposed to the acidic brine were calcite-depleted and had developed a porous altered layer, while the other set showed little evidence of alteration. After reaction, samples were compacted and sheared in a triaxial cell that supplied normal stress and differential pore pressure at prescribed sliding velocities, independently measuring friction and permeability. During the initial compaction, the porous altered layer collapsed into fine particles that filled the fracture aperture. This effectively impeded flow and sealed the fracture, resulting in a decrease in fracture permeability by 1 to 2 orders of magnitude relative to the compressed unaltered fractures. During shear, the collapsed layer of fine-grained particles prevented the formation of interlocking micro-asperities resulting in lower frictional strength. With regard to subsurface risks, this study showcases how coupled geochemical and geomechanical processes could favorably seal fractures to inhibit leakage, but also could increase the likelihood of induced seismicity. These findings have important implications for geological carbon sequestration, pressurized fluid energy storage, geothermal energy, and other subsurface technologies.
Understanding the condensed-phase behavior of chiral molecules is important in biology, as well as in a range of technological applications, such as the manufacture of pharmaceuticals. Here, we use molecular dynamics simulations to study a chiral four-site molecular model that exhibits a second-order symmetry-breaking phase transition from a supercritical racemic liquid, into subcritical D-rich and L-rich liquids. We determine the infinite-size critical temperature using the fourth-order Binder cumulant, and we show that the finite-size scaling behavior of the order parameter is compatible with the 3D Ising universality class. We also study the spontaneous D-rich to L-rich transition at a slightly subcritical temperature T ~ 0.985 Tc and our findings indicate that the free energy barrier for this transformation increases with system size as N^2/3 where N is the number of molecules, consistent with a surface-dominated phenomenon. The critical behavior observed herein suggests a mechanism for chirality selection in which a liquid of chiral molecules spontaneously forms a phase enriched in one of the two enantiomers as the temperature is lowered below the critical point. Furthermore, the increasing free energy barrier with system size indicates that fluctuations between the L-rich and D-rich phases are suppressed as the size of the system increases, trapping it in one of the two enantiomerically-enriched phases. Such a process could provide the basis for an alternative explanation for the origin of biological homochirality. We also conjecture the possibility of observing nucleation at subcritical temperatures under the action of a suitable chiral external field.
This dataset contains input and output files to reproduce the results of the manuscript "Homogeneous ice nucleation in an ab initio machine learning model" by Pablo M. Piaggi, Jack Weis, Athanassios Z. Panagiotopoulos, Pablo G. Debenedetti, and Roberto Car (arXiv preprint https://arxiv.org/abs/2203.01376). In this work, we studied the homogeneous nucleation of ice from supercooled liquid water using a machine learning model trained on ab initio energies and forces. Since nucleation takes place over times much longer than the simulation times that can be afforded using molecular dynamics simulations, we make use of the seeding technique that is based on simulating an ice cluster embedded in liquid water. The key quantity provided by the seeding technique is the size of the critical cluster (i.e., a size such that the cluster has equal probabilities of growing or shrinking at the given supersaturation). Using data from the seeding simulations and the equations of classical nucleation theory we compute nucleation rates that can be compared with experiments.
This dataset is affiliated with the publication https://doi.org/10.1007/s00348-022-03455-0. All of the data provided is necessary to reproduce the results with the aforementioned publication. The data in this repository is for the wake of a wind turbine at high Reynolds numbers. The data is mainly used for reproducing the statistics (deficit and variance profiles) and the phase averaged results.
NSTX-U research will offer new insight by studying gas assimilation efficiencies for MGI injection from different poloidal locations using identical gas injection systems. In support of this activity, an electromagnetic MGI valve has been built and tested. The valve operates by repelling two conductive disks due to eddy currents induced on them by a rapidly changing magnetic field created by a pancake disk solenoid positioned beneath the circular disk attached to a piston. The current is driven in opposite directions in the two solenoids, which creates a cancelling torque when the valve is operated in an ambient magnetic field, as would be required in a tokamak installation. The valve does not use ferromagnetic materials. Results from the operation of the valve, including tests conducted in 1 T external magnetic fields, are described. The pressure rise in the test chamber is measured directly using a fast time response baratron gauge. At a plenum pressure of just 1.38 MPa (~200 psig), the valve injects 27 Pa.m^3 (~200 Torr.L) of nitrogen with a pressure rise time of 3 ms.
This dataset comprises of data associated with the publication "Transferability of data-driven, many-body models for CO2 simulations in the vapor and liquid phases", which can be found at https://doi.org/10.1063/5.0080061. The data includes calculations for a Many-Body decomposition, virial coefficient calculations, orientational molecular scan energies, potential energy fields, correlation plots of training and testing data, vapor-liquid equilibrium simulations, liquid density simulations, and solid cell simulations.
The item included here is a collection of wave profiles collected and presented in the accompanying paper: Rucks, M. J., Winey, J. M., Toyoda, T., Gupta, Y. M., & Duffy, T. S. (in review). "Shock compression of fluorapatite to 120 GPa" Submitted to Journal of Geophysical Research: Planets.
This dataset includes individual CIF files with the refined structure of fluorapatite under compression to 61 GPa. The structures have been discussed in detail in the accompanying manuscript "Single-crystal X-ray diffraction of fluorapatite to 61 GPa"
A comprehensive set of spectroscopic diagnostics is planned in the National Spherical Torus Experi- ment Upgrade to connect measurements of molybdenum and tungsten divertor sources to scrape-o↵ layer (SOL) and core impurity transport, supporting the installation of high-Z plasma facing compo- nents which is scheduled to begin with a row of molybdenum tiles. Imaging with narrow-bandpass interference filters and high-resolution spectroscopy will be coupled to estimate divertor impurity influxes. Vacuum ultraviolet and extreme ultraviolet spectrometers will allow connecting high-Z sources to SOL transport and core impurity content. The high-Z diagnostics suite complements the existing measurements for low-Z impurities (carbon and lithium), critical for the characterization of sputtering of high-Z materials.
In one popular description of the L-H transition, energy transfer to the mean flows directly depletes turbulence fluctuation energy, resulting in suppression of the turbulence and a corresponding transport bifurcation. However, electron parallel force balance couples nonzonal velocity fluctuations with electron pressure fluctuations on rapid timescales, comparable with the electron transit time. For this reason, energy in the nonzonal velocity stays in a fairly fixed ratio to the free energy in electron density fluctuations, at least for frequency scales much slower than electron transit. In order for direct depletion of the energy in turbulent fluctuations to cause the L-H transition, energy transfer via Reynolds stress must therefore drain enough energy to significantly reduce the sum of the free energy in nonzonal velocities and electron pressure fluctuations. At low k, the electron thermal free energy is much larger than the energy in nonzonal velocities, posing a stark challenge for this model of the L-H transition.
