Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Steady-state molecular dynamics simulation of vapour to liquid
  nucleation with McDonald's daemon   The most interesting step of condensation is the cluster formation up to the
critical size. In a closed system, this is an instationary process, as the
vapour is depleted by the emerging liquid phase. This imposes a limitation on
direct molecular dynamics (MD) simulation of nucleation by affecting the
properties of the vapour to a significant extent so that the nucleation rate
varies over simulation time. Grand canonical MD with McDonald's daemon is
discussed in the present contribution and applied for sampling both nucleation
kinetics and steady-state properties of a supersaturated vapour.
  The idea behind that approach is to simulate the production of clusters up to
a given size for a specified supersaturation. In that way, nucleation is
studied by a steady-state simulation. A series of simulations is conducted for
the truncated and shifted Lennard-Jones fluid which accurately describes the
fluid phase coexistence of noble gases and methane. The classical nucleation
theory is found to overestimate the free energy of cluster formation and to
deviate by two orders of magnitude from the nucleation rate below the triple
point at high supersaturations.

9
The categories of this paper are: nlin
4
The categories of this paper are: cond-mat
25
The categories of this paper are: patt-sol
22
The categories of this paper are: chao-dyn
5
The categories of this paper are: gr-qc
6
The categories of this paper are: astro-ph
7
The categories of this paper are: hep-th
13
The categories of this paper are: quant-ph
24
The categories of this paper are: dg-ga
20
The categories of this paper are: acc-phys
14
The categories of this paper are: math-ph
37
The categories of this paper are: supr-con
27
The categories of this paper are: comp-gas
10
The categories of this paper are: q-bio
23
The categories of this paper are: solv-int
18
The categories of this paper are: econ