Related papers: Nucleation rates from small scale atomistic simula…
The classical theory of grain nucleation suffers from both theoretical and predictive deficiencies. We strive to alleviate these deficiencies in our understanding of dust formation and growth by utilizing an atomistic model of nucleation.…
Reformulating hyperdynamics without using a transition state theory (TST) dividing surface makes it possible to accelerate conventional molecular dynamics (MD) simulation using a broader range of bias potentials. A new scheme to calculate…
Two microscopic models, UrQMD and QGSM, were employed to study the formation of locally equilibrated hot and dense nuclear matter in heavy-ion collisions at energies from 11.6 AGeV to 160 AGeV. Analysis was performed for the fixed central…
We derive a novel efficient scheme to measure the rate constant of transitions between stable states separated by high free energy barriers in a complex environment within the framework of transition path sampling. The method is based on…
We determined bulk crystal nucleation rates in aqueous suspensions of charged spheres at low metastability. Experiments were performed in dependence on electrolyte concen-tration and for two different particle number densities. The…
Nucleation, commonly associated with discontinuous transformations between metastable and stable phases, is crucial in fields as diverse as atmospheric science and nanoscale electronics. Traditionally, it is considered a microscopic process…
We summarize recent efforts to develop an angular-momentum-conserving variant of the Density Matrix Renormalization Group method into a practical truncation strategy for large-scale shell model calculations of atomic nuclei. Following a…
Fragmentation of nuclear system by tunneling is discussed in a molecular dynamics simulation coupled with imaginary time method. In this way we obtain informations on the fragmenting systems at low densities and temperatures. These…
Fastest arrival events, where the first among many diffusing particles reaches a target, are central in triggering signal initiation in molecular stochastic systems. Classical approaches to simulate such events rely on full trajectory…
From the point of view of statistical mechanics, a full characterisation of a molecular system requires the experimental determination of its possible states, their populations and the respective interconversion rates. Well-established…
Atomistic simulations of the molecular dynamics/statics kind are regularly used to study small scale plasticity. Contemporary simulations are performed with tens to hundreds of millions of atoms, with snapshots of these configurations…
Monte Carlo simulations of crystal nuclei coexisting with the fluid phase in thermal equilibrium in finite volumes are presented and analyzed, for fluid densities from dense melts to the vapor. Generalizing the lever-rule for two-phase…
This paper deals also with a problem of gas absorption accompanied by an instantaneous, irreversible reaction in the liquid layer. The well-known methods for calculating such processes are based usually on the certain amendments to…
We have performed large-scale Lennard-Jones molecular dynamics simulations of homogeneous vapor-to-liquid nucleation, with $10^9$ atoms. This large number allows us to resolve extremely low nucleation rates, and also provides excellent…
We calculate a new equation of state for baryons at sub-nuclear densities meant for the use in core-collapse simulations of massive stars. The abundance of various nuclei is obtained together with the thermodynamic quantities. The…
The impact of electron-capture (EC) cross sections on neutron-rich nuclei on the dynamics of core-collapse during infall and early post-bounce is studied performing spherically symmetric simulations in general relativity using a multigroup…
We develop a theory of nucleation on top of two-dimensional islands bordered by steps with an additional energy barrier $\Delta E_S$ for descending atoms. The theory is based on the concept of the residence time of an adatom on the…
The Euclidean action is calculated in the thin-wall approximation for a first-order vacuum phase transition in which the bubble appears symmetrically around either a global monopole or a gauge cosmic string. The bubble is assumed to be much…
We present an efficient method to compute transition rates between states for a two-state system. The method utilizes the equivalence between steady-state flux and mean first passage rate for such systems. More specifically, the procedure…
We provide a numerical study of the macroscopic model of [3] derived from an agent-based model for a system of particles interacting through a dynamical network of links. Assuming that the network remodelling process is very fast, the…