Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Wall-liquid and wall-crystal interfacial free energies via thermodynamic
  integration: A molecular dynamics simulation study   A method is proposed to compute the interfacial free energy of a
Lennard-Jones system in contact with a structured wall by molecular dynamics
simulation. Both the bulk liquid and bulk face-centered-cubic crystal phase
along the (111) orientation are considered. Our approach is based on a
thermodynamic integration scheme where first the bulk Lennard-Jones system is
reversibly transformed to a state where it interacts with a structureless flat
wall. In a second step, the flat structureless wall is reversibly transformed
into an atomistic wall with crystalline structure. The dependence of the
interfacial free energy on various parameters such as the wall potential, the
density and orientation of the wall is investigated. The conditions are
indicated under which a Lennard-Jones crystal partially wets a flat wall.

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The categories of this paper are: nlin
28
The categories of this paper are: alg-geom
36
The categories of this paper are: cmp-lg
2
The categories of this paper are: math
17
The categories of this paper are: q-fin
19
The categories of this paper are: eess
25
The categories of this paper are: patt-sol
30
The categories of this paper are: q-alg
21
The categories of this paper are: adap-org
5
The categories of this paper are: gr-qc
31
The categories of this paper are: ao-sci
11
The categories of this paper are: hep-lat
22
The categories of this paper are: chao-dyn
27
The categories of this paper are: comp-gas
15
The categories of this paper are: nucl-ex
16
The categories of this paper are: stat