Related papers: Topological Data Analysis of Ion Migration Mechani…
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 show that the conductance $G$ of molecular tunnel junctions wherein the charge transport is dominated by a single energy level can be expressed in closed analytic form which is exact and valid at arbitrary temperature $T$ and model…
A new analysis and new Molecular Dynamics (MD) simulations of the measurements of the mobility $\mu_{i}$ of O$_{2}^{-} $ ions in dense supercritical Ar gas are reported. $\mu_{i}$ shows a marked dependence on the distance from the critical…
We carried out detailed high-precision study of Ag-like Nd$^{13+}$, Sm$^{15+}$ and In-like Ce$^{9+}$, Pr$^{10+}$, Nd$^{11+}$, Sm$^{13+}$, Eu$^{14+}$ highly-charged ions. These ions were identified to be of particular interest to the…
The atomic topology and magnetic microstructure of individual, highly mobile Type I and Type II twin boundaries in 10M Ni-Mn-Ga martensite were investigated by transmission electron microscopy (TEM). The twin boundaries established in a…
Electronic topological phases are renowned for their unique properties, where conducting surface states exist on the boundary of an insulating three-dimensional bulk. While the transport response of the surface states has been extensively…
Numerical studies of ionic motion through solid electrolytes commonly involve static nudged-elastic band (NEB) methods or costly \emph{ab initio} molecular dynamics (AIMD). Building on a time-local model of current carrier-electrolyte…
This work presents a framework for studying temporal networks using zigzag persistence, a tool from the field of Topological Data Analysis (TDA). The resulting approach is general and applicable to a wide variety of time-varying graphs. For…
Mechanochemically synthesized amorphous 50SISOMO [50AgI-25Ag_2O-25MoO_3] fast ionic conductor shows high ionic conductivity of ~ 6x10^-3 {\Omega}^-1 cm-1 at room temperature. The highest ionic conductivity is achieved for 36 h milled…
One of the hallmarks of topological systems is the robust quantization of particle transport. It is the origin of the integer-valued quantum Hall conductivity and a potential tool for quantum information technology. Recent experiments on…
The predictions of mean-field electrodynamics can now be probed using direct numerical simulations of random flows and magnetic fields. When modelling astrophysical MHD, it is important to verify that such simulations are in agreement with…
We investigate theoretically the possibility for robust and fast cooling of a trapped atomic ion by transient interaction with a pre-cooled ion. The transient coupling is achieved through dynamical control of the ions' equilibrium…
The emergence of complex modulated structures in the magnetization pattern of thin films is a well-established experimental phenomenology caused by the frustrating effects of competing interactions. Using a coarse-grained version of the…
Transport of ions and small molecules across the cell membrane against electrochemical gradients is catalyzed by integral membrane proteins that use a source of free energy to drive the energetically uphill flux of the transported…
At sufficiently low temperatures magnetic materials often enter a correlated phase hosting collective, coherent magnetic excitations such as magnons or triplons. Drawing on the enormous progress on topological materials of the last few…
At low temperatures, dynamics in amorphous silicon occurs through a sequence of discrete activated events that locally reorganize the topological network. Using the activation-relaxation technique, a data base containing over 8000 such…
In this study, the intermittency behavior of emitted particles produced in heavy ion collisions has been studied using both modes (default $\&$ string melting) of A Multi Phase Transport (AMPT) model-generated data. We adopted one of the…
We develop a unified view of topological phase transitions (TPTs) in solids by revising the classical band theory with the inclusion of topology. Re-evaluating the band evolution from an "atomic crystal" [a normal insulator (NI)] to a solid…
We employed ab-initio molecular dynamics to directly simulate the effects of Ag alloying ($\sim5%$ Ag concentration) on the phase change properties of Ge$_{2}$Sb$_{2}$Te$_{5}$. The short range order is preserved, whereas a slight…
Topological data analysis has been recently applied to investigate stylistic signatures and trends in musical compositions. A useful tool in this area is Persistent Homology. In this paper, we develop a novel method to represent a weighted…