Related papers: Universal Framework for Decomposing Ionic Transpor…
In recent years, machine learning methods have been widely used to study physical systems that are challenging to solve with governing equations. Physicists and engineers are framing the data-driven paradigm as an alternative approach to…
This paper presents a symmetric unified transport (UT) compact model for metal-oxide-semiconductor field-effect transistors (MOSFETs) that bridges drift-diffusion (DD) and ballistic transport (BT) regimes. The proposed model self…
Condensed ionic systems are described in the framework of a combined approach that takes into account both long-range and short-range interactions. Short-range interaction is expressed in terms of mean potentials and long-range interaction…
Sodium-ion batteries are a cost-effective and sustainable alternative to lithium-ion systems for large-scale energy storage. Hard carbon (HC) anodes, composed of disordered graphitic and amorphous domains, offer high capacity but exhibit…
Macroscopic transport modelling aims to predict traffic flows after proposed public policy interventions, such as a new road or railway section or a temporary road closure. As such, it is a vital step in infrastructure planning and…
We show that by integrating out the electric field and incorporating proper boundary conditions, a semiclassical Boltzmann equation can describe electron transport properties, continuously from the diffusive to ballistic regimes. General…
One of the fundamental properties of semiconductors is their ability to support highly tunable electric currents in the presence of electric fields or carrier concentration gradients. These properties are described by transport coefficients…
Decoherent transport in mesoscopic and nanoscopic systems can be formulated in terms of the D'Amato-Pastawski (DP) model. This generalizes the Landauer-B\"{u}ttiker picture by considering a distribution of local decoherent processes.…
The conversion of $\mathrm{CO_2}$ to value-added compounds is an important part of the effort to store and reuse atmospheric $\mathrm{CO_2}$ emissions. Here we focus on $\mathrm{CO_2}$ hydrogenation over so-called inverse catalysts:…
To accelerate the development of novel ion-conducting materials, we present a general graph-theoretic analysis framework for ion migration in any crystalline structure. The nodes of the graph represent metastable sites of the migrating ion…
We report on a new capability added to our general relativistic radiation-magnetohydrodynamics code, Cosmos++: an implicit Monte Carlo (IMC) treatment for radiation transport. The method is based on a Fleck-type implicit discretization of…
Non-monotonic retention profiles (NRP) have been observed in numerous studies of colloidal-nano flows in porous media. For the first time, we explain the phenomenon by distributed particle properties (size, shape, surface charge). We…
Organic semiconductors are indispensable for today's display technologies in form of organic light emitting diodes (OLEDs) and further optoelectronic applications. However, organic materials do not reach the same charge carrier mobility as…
We propose a method to identify and characterize distribution shifts in classification datasets based on optimal transport. It allows the user to identify the extent to which each class is affected by the shift, and retrieves corresponding…
In this paper, we review and substantially develop the recently proposed "Microscopic Response Method", which has been devised to compute transport coefficients and especially associated temperature dependence in complex materials. The…
The recently proposed effective potential theory [Phys. Rev. Lett. 110, 235001 (2013)] allows evaluating transport in coupled plasmas with the well-developed formalisms for systems with binary collisions. To facilitate practical…
We present a new method to derive transport equations for quantum many-particle systems. This method uses an equation-of-motion technique and is applicable to systems with bosons and fermions, arbitrary interactions and time-dependent…
Biological ion channels balance electrostatic and dehydration effects to yield large ion selectivities alongside high transport rates. These macromolecular systems are often interrogated through point mutations of their pore domain,…
The macroscopic phenomenon of filtration is the separation between suspended and liquid phases and it takes place in natural environments (e.g. groundwater, soil, hyporheic zone) and industrial systems (e.g. filtration plants,…
Electronic transport properties for single-molecule junctions have been widely measured by several techniques, including mechanically controllable break junctions, electromigration break junctions or by means of scanning tunneling…