Bulk dynamics for interfacial growth models

Bulk dynamics for interfacial growth models

We study the influence of the bulk dynamics of a growing cluster of particles on the properties of its interface. First, we define a general bulk growth model by means of a continuum Master equation for the evolution of the bulk density field. This general model just considers an arbitrary addition of particles (though it can be easily generalized to consider subtraction) with no other physical...

Phase transitions and dynamics of bulk and interfacial water.

New experiments on water at the surface of proteins at very low temperature display intriguing dynamic behaviors. The extreme conditions of these experiments make it difficult to explore the wide range of thermodynamic state points needed to offer a suitable interpretation. Detailed simulations suffer from the same problem, where equilibration times at low temperature become extremely long. We ...

Bulk and interfacial properties of quadrupolar fluids

Dynamics of Macro–Nano Mechanical Systems; Fixed Interfacial Multiscale Method

The continuum based approaches don’t provide the correct physics in atomic scales. On the other hand, the molecular based approaches are limited by the length and simulated process time. As an attractive alternative, this paper proposes the Fixed Interfacial Multiscale Method (FIMM) for computationally and mathematically efficient modeling of solid structures. The approach is applicable to mult...

Development of DPD coarse-grained models: From bulk to interfacial properties.

A new Bayesian method was recently introduced for developing coarse-grain (CG) force fields for molecular dynamics. The CG models designed for dissipative particle dynamics (DPD) are optimized based on trajectory matching. Here we extend this method to improve transferability across thermodynamic conditions. We demonstrate the capability of the method by developing a CG model of n-pentane from ...