The diffusion properties of alkali ions in a series of RP antiperovskites are investigated by density functional theory, which provides a theoretical guide for enhancing the ionic conductivity of solid-state antiperovskite electrolytes.
In this article, different strategies for estimating first-order degradation rate constants from measured field data are compared by application to multiple, synthetic, contaminant plumes. The plumes were generated by numerical simulation of contaminant transport and degradation in virtual heterogeneous aquifers. These sites were then individually and independently investigated on the computer by installation of extensive networks of observation wells. From the data measured at the wells, that is, contaminant concentrations, hydraulic conductivities, and heads, first-order degradation rates were estimated by three 1D centerline methods, which use only measurements located on the plume axis, and a two-dimensional method, which uses all concentration measurements available downgradient from the contaminant source. Results for both strategies show that the true rate constant used for the numerical simulation of the plumes in general tends to be overestimated. Overestimation is stronger for narrow plumes from small source zones, with an average overestimation factor of about 5 and single values ranging from 0.5 to 20, decreasing for wider plumes, with an average overestimation factor of about 2 and similar spread. Reasons for this overestimation are identified in the velocity calculation, the dispersivity parameterization, and off-centerline measurements. For narrow plumes, the one- and the two-dimensional strategies show approximately the same amount of overestimation. For wider plumes, however, incorporation of all measurements in the two-dimensional approach reduces the estimation error. No significant relation between the number of observation wells in the monitoring network and the quality of the estimated rate constant is found for the two-dimensional approach.
We study the Lasry-Lions approximation using the kernel determined by the fundamental solution with respect to a time-dependent Tonelli Lagrangian. This approximation process is also applied to the viscosity solutions of the discounted Hamilton-Jacobi equations.2010 Mathematics Subject Classification. 26B25, 35A21, 49L25, 37J50, 70H20.
Grid-based Vlasov simulations are carried out to re-evaluate the one-dimensional collisionless plasma expansion into vacuum. The grid-based method eliminates the inherent statistical noise in particle-based methods and allows us to extend the solution beyond the self-similar expansion region and resolve small electron timescale wave perturbations. It is shown that the expansion generates both an ion-acoustic rarefaction wave mode and an electron Langmuir wave mode that propagate into the unperturbed plasma upstream. The assumption used in the classical expansion solution that the electrons are an isothermal fluid is accurate within a quasi-neutral, self-similar expansion region but fails in both the upstream and downstream of that region due to electron timescale perturbations.
The physics of ionic electrospray propulsion spans multiple length scales. This paper combines a molecular dynamics model, a particle–particle model, and a particle-in-cell model to investigate the physics of ionic electrospray propulsion over 9 orders of magnitude in length scale. The combined models are applied to simulate beam emission for an ionic electrospray propulsion system with porous emitter tips and 1-ethyl-3-methylimidazolium tetrafluoroborate ionic liquid propellant from the emission site to the downstream plume. Additionally, the impact of multiple emission sites from a single emitter tip is analyzed with regard to extractor grid interception and overall beam neutralization for bipolar thruster pairs. Results show that beams consisting of species of different masses (i.e., monomer and dimer species) are affected by particle–particle forces during acceleration and should not be treated as a superposition of independently accelerated species in macro-scale plume models. The activation of multiple emission sites also causes a noticeable increase in the beam’s spread, leading to increased intercepted current but relatively little adverse effects in the downstream plume region.
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