Related papers: Backward correlations and dynamic heterogeneities:…
Correlated anion and cation motion can significantly reduce the overall ion conductivity in electrolytes versus the ideal conductivity calculated based on the diffusion constants alone. Using coarse-grained molecular dynamics simulations,…
The increasing number of experimental observations on highly concentrated electrolytes and ionic liquids show qualitative features that are distinct from dilute or moderately concentrated electrolytes, such as self-assembly, multiple-time…
The interaction of energetic ions with the electronic and ionic system of target materials is an interesting but challenging multi-scale problem and understanding of the early stages after impact of heavy, initially charged ions is…
Recent experiments and computer simulations show that supercooled liquids around the glass transition temperature are "dynamically heterogeneous" [1]. Such heterogeneity is expected from the random first order transition theory of the glass…
We study the Langevin dynamics of a heteropolymer by means of a mode-coupling approximation scheme, giving rise to a set of coupled integro-differential equations relating the response and correlation functions. The analysis shows that…
The intermolecular interactions in the title compound are investigated using self-consistent charge density functional based tight binding molecular dynamics. Emphasis is put on the analysis of correlated motions of ion pairs using ideas of…
In this paper we have investigated, through computer simulations, dislocation nucleation and dislocation dynamics in a heterostructure system with the lattice-mismatch interface, i.e. a system with internal strain. In particular, we have…
The thermal state of the post-reionization IGM is sensitive to the timing of reionization and the nature of the ionizing sources. We have modelled here the thermal state of the IGM in cosmological radiative transfer simulations of a…
Recently, large-scale trapped ion systems have been realized in experiments for quantum simulation and quantum computation. They are the simplest systems for dynamical stability and parametric resonance. In this model, the Mathieu equation…
We study the structure and the dynamics in the formation of irreversible gels by means of molecular dynamics simulation of a model system where the gelation transition is due to the random percolation of permanent bonds between neighboring…
We study a quasi-two-dimensional electrostatic drift kinetic system as a model for near-marginal ion temperature gradient (ITG) driven turbulence. A proof is given of the nonlinear stability of this system under conditions of linear…
Despite the use of glasses for thousands of years, the nature of the glass transition is still mysterious. On approaching the glass transition, the growth of dynamic heterogeneity has long been thought to play a key role in explaining the…
The available sites for ions in a typical disordered ionic conductor are determined. For this purpose we devised a straightforward algorithm which via cluster analysis identifies these sites from long time ionic trajectories below the glass…
We introduce the idea of weakly coherent collisional models, where the elements of an environment interacting with a system of interest are prepared in states that are approximately thermal, but have an amount of coherence proportional to a…
Slow relaxation and plastic deformation in disordered materials such as metallic glasses and supercooled liquids occur at dynamical heterogeneities, or neighboring particles that rearrange in a correlated, cooperative manner. Dynamical…
The slow dynamics of a system as it approaches a phase transition, associated with the slowing down in the decay of a correlation function, can be caused by a sharp increase in the probability of a particle's returning to its original state…
The simulation of ion-atom collisions remains a formidable challenge due to the complex interplay between electronic and nuclear degrees of freedom. We present a hybrid quantum-classical computing framework for simulating time-dependent…
As liquids approach the glass transition temperature, dynamical heterogeneity emerges as a crucial universal feature of their behavior. Dynamic facilitation, where local motion triggers further motion nearby, plays a major role in this…
We give an updated overview of both weak and strong coupling methods to describe the approach to a plasma described by viscous hydrodynamics, a process now called hydrodynamisation. At weak coupling the very first moments after a heavy ion…
When an ion confined in a linear ion trap interacts with a coherent laser field, the internal degrees of freedom, related to the electron transitions, couple to the vibrational degree of freedom of the ion. As a result of this interaction,…