Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Can molecular simulations reliably compare homogeneous and heterogeneous
  ice nucleation?   In principle, the answer to the posed titular question is undoubtedly 'yes.'
But in practice, requisite reference data for homogeneous systems have been
obtained with a treatment of intermolecular interactions that is different from
that typically employed for heterogeneous systems. In this article, we assess
the impact of the choice of truncation scheme when comparing water in
homogeneous and inhomogeneous environments. Specifically, we use explicit free
energy calculations and a simple mean field analysis to demonstrate that using
the 'cut-and-shift' version of the Lennard-Jones potential (common to most
simple point charge models of water) results in a systematic increase in the
melting temperature of ice I$_{\rm h}$. In addition, by drawing an analogy
between a change in cutoff and a change in pressure, we use existing literature
data for homogeneous ice nucleation at negative pressures to suggest that
enhancements due to heterogeneous nucleation may have been overestimated by
several orders of magnitude.

25
The categories of this paper are: patt-sol
32
The categories of this paper are: atom-ph
7
The categories of this paper are: hep-th
3
The categories of this paper are: physics
12
The categories of this paper are: nucl-th
27
The categories of this paper are: comp-gas
10
The categories of this paper are: q-bio
36
The categories of this paper are: cmp-lg
11
The categories of this paper are: hep-lat
2
The categories of this paper are: math
21
The categories of this paper are: adap-org
18
The categories of this paper are: econ
24
The categories of this paper are: dg-ga
33
The categories of this paper are: plasm-ph
14
The categories of this paper are: math-ph
9
The categories of this paper are: nlin