Related papers: Mechanisms of alkali ionic transport in amorphous …
We examine the ionic migration of Li in LATP [$\text{Li}_{1+x} \text{Al}_x \text{Ti}_{2-x} {(\text{P} \text{O}_4)}_3$] solid electrolytes from an atomistic viewpoint by means of density functional theory calculations. We vary the Al content…
This article is concerned with the existence of traveling wave solutions, including standing waves, to some models based on configurational forces, describing respectively the diffusionless phase transformations of solid materials, e.g.,…
As the energy storage ecosystem evolves beyond lithium, MXenes, a versatile family of 2D materials derived from MAX phases, have emerged as promising candidates for next-generation energy storage electrodes due to their tunable surface…
The nature of mobility of ions and water molecules in dilute aqueous solutions of electrolytes (at most fifteen water molecules per ion) is investigated. It is shown that the behavior of the mobility coefficients of water molecules and…
The intrinsic carrier transport dynamics in phosphorene is theoretically examined. Utilizing a density functional theory treatment, the low-field mobility and the saturation velocity are characterized for both electrons and holes in the…
We show that the resistive anisotropy of an anisotropic medium is determined by the ratio of the phase coherence lengths. In layered crystals in which the interlayer transport is incoherent, the out-of-plane phase coherence length is fixed…
In chiral crystals crystalline symmetries can protect multifold fermions, pseudo-relativistic masless quasiparticles that have no high-energy counterparts. Their realization in transition metal monosilicides has exemplified their intriguing…
The transverse current (j_H) due to anomalous Hall effect (AHE) is usually assumed to be perpendicular to the magnetization (m) in ferromagnetic materials, which governs the experiments in spintronics. Generally, this assumption is derived…
Near-room-temperature electronic transport of annealing induced semiconducting crystallites embedded within its amorphous counterpart is treated within the effective-medium approach. As such, the mixtures transport coefficients become…
The diffusive transport of biased Brownian particles in a two-dimensional symmetric channel is investigated numerically considering both the no-flow and the reflection boundary conditions at the channel boundaries. Here, the geometrical…
Materials composed of two dimensional layers bonded to one another through weak van der Waals interactions often exhibit strongly anisotropic behaviors and can be cleaved into very thin specimens and sometimes into monolayer crystals.…
Ion transport in concentrated electrolytes plays a fundamental role in electrochemical systems such as lithium ion batteries. Nonetheless, the mechanism of transport amid strong ion-ion interactions remains enigmatic. A key question is…
The heat transfer properties of the organic molecular crystal ${\alpha}$-RDX were studied using three phonon-based thermal conductivity models. It was found that the widely used Peierls-Boltzmann model for thermal transport in crystalline…
Static disorder in a 3D crystal degrades the ideal ballistic dynamics until it produces a localized regime. This Metal-Insulator Transition is often preceded by coherent diffusion. By studying three paradigmatic 1D models, namely the…
Using the Boltzmann transport model, we show that, somewhat unintuitively, ballistic transport of electrons in metals is weaker than diffusive transport. This happens because the femtosecond-scale collision rates of the non-thermal…
Recently amorphous oxide semiconductors (AOS) have gained commercial interest due to their low-temperature processability, high mobility and areal uniformity for display backplanes and other large area applications. A multi-cation amorphous…
Among the many physical properties, the amorphous state manifests itself in the most spectacular way in heat transport. Anomalously low thermal conductivity, its low-temperature dependence as a function of temperature, the presence of a…
Heat transfer at the interface between two materials is becoming increasingly important as the size of electronic devices shrinks. Most studies concentrate on the interfacial thermal conductance between either crystalline-crystalline or…
We present ab-initio transport calculations for molecular junctions that include graphene as a protecting layer between a single molecule and gold electrodes. This vertical setup has recently gained significant interest in experiment for…
Ion dynamics that drive the transport and thermophysical properties of molten salts are poorly understood due to challenges in precisely quantifying the spatial and temporal fluctuations of specific ions in highly disordered systems. While…