Related papers: Fractal conduction pathways governing ionic transp…
Diffusion of atoms in solids is one of the most fundamental kinetic processes that ultimately governs many materials properties. Here, we report on a combined first-principles and kinetic Monte Carlo study of macroscopic diffusion…
Recrystallization of glasses is important in a wide range of applications including electronics and reactive materials. Molecular dynamics (MD) has been used to provide an atomic picture of this process, but prior work has neglected the…
In this work, we observe the rigidity percolation phenomena in a fast ion conducting, conditional glass forming system (AgI)75-x-(Ag2O)25-(MoO3)x. To find out where, why and how the rigidity percolation phenomenon occurs within the range of…
Ionic transport in nano- to sub-nano-scale pores is highly dependent on translocation barriers and potential wells. These features in the free-energy landscape are primarily the result of ion dehydration and electrostatic interactions. For…
The recent study of viscoelastic amorphous oxychloride electrolytes has opened up a new field of research for solid-state electrolytes. In this work, we chose Li-Al-O-Cl system containing disordered structures with varying O/Cl ratio and…
Ionically-conducting plastic crystals are possible candidates for solid-state electrolytes in energy-storage devices. Interestingly, the admixture of larger molecules to the most prominent molecular PC electrolyte, succinonitrile, was shown…
Trapped atomic ions have become one of the most promising architectures for a quantum computer, and current effort is now devoted to the transport of trapped ions through complex segmented ion trap structures in order to scale up to much…
Molecular dynamics simulations are performed to study spatially heterogeneous dynamics in a model of viscous silica above and below the critical temperature of the mode coupling theory, $T_{MCT}$. Specifically, we follow the evolution of…
If a point particle moves chaotically through a periodic array of scatterers the associated transport coefficients are typically irregular functions under variation of control parameters. For a piecewise linear two-parameter map we analyze…
Predicting practical rates of ion transport from atomistic descriptors enables the rational design of materials, devices, and processes, which is especially critical to developing low-carbon energy technologies such as rechargeable…
We report on the study of the electrical current flowing in weakly coupled superlattice (SL) structures under an applied electric field at very low temperature, i.e. in the tunneling regime. This low temperature transport is characterized…
We investigate path-wise observables in experiments on driven colloids in a periodic light field to dissect selected intricate transport features, kinetics, and transition-path time statistics out of thermodynamic equilibrium. These…
A granular system slightly below the percolation threshold is a collection of finite metallic clusters, characterized by wide spectrum of sizes, resistances, and charging energies. Electrons hop from cluster to clusters via short insulating…
Heat conduction phenomena are studied theoretically using computer simulation. The systems are crystal with nonlinear interaction, and fluid of hard-core particles. Quasi-one-dimensional system of the size of $L_x\times L_y\times L_z(L_z\gg…
$\delta$-Bi$_2$O$_3$ is one of the fastest known solid oxide ion conductors owing to its intrinsically defective fluorite-like structure with 25\% vacant sites in the O sub-lattice. Numerous diffraction measurements and molecular dynamics…
While crystalline materials with glass-like thermal conductivity are fundamentally intriguing, structurally triggering the transition from propagating to diffusive heat transport within a single framework remains a formidable challenge.…
The paper deals with the fundamental problem of a modeling of the physical, in particular, thermal hydraulic processes, in various media of fractal structure of the natural, technological and technical systems and devices. The examples of a…
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…
Transport coefficients are calculated for a partially ionized plasma consisting of approximately 90% hydrogen and 10\% helium, representative of a model solar atmosphere with an assumed magnetic field profile. The ion Hall parameter,…
We have performed a dielectric investigation of the ionic charge transport and the relaxation dynamics in plastic-crystalline 1-cyano-adamantane (CNA) and in two mixtures of CNA with the related plastic crystals adamantane or 2-adamantanon.…