Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Length dependence of thermal conductivity by approach-to-equilibrium
  molecular dynamics   The length dependence of the thermal conductivity over more than two decades
is systematically studied for a range of materials, interatomic potentials and
temperatures, by the atomistic approach-to-equilibrium molecular dynamics
method (AEMD). By comparing the values of conductivity obtained for a given
supercell length and maximum phonon mean-free-path (MFP), we find that such
values are strongly correlated, demonstrating that the AEMD calculation with a
supercell of finite length, actually probes the thermal conductivity
corresponding to a maximum phonon MFP. As a consequence, the less pronounced
length dependence usually observed for poorer thermal conductors, such as
amorphous silica, is physically justified by their shorter average phonon MFP.
Finally, we compare different analytical extrapolations of the conductivity to
infinite length, and demonstrate that the frequently used Matthiessen rule is
not applicable in AEMD. An alternative extrapolation more suitable for
transient-time, finite-supercell simulations is derived. This approximation
scheme can also be used to classify the quality of different interatomic
potential models with respect to their capability of predicting the
experimental thermal conductivity.

22
The categories of this paper are: chao-dyn
36
The categories of this paper are: cmp-lg
27
The categories of this paper are: comp-gas
18
The categories of this paper are: econ
16
The categories of this paper are: stat
2
The categories of this paper are: math
21
The categories of this paper are: adap-org
32
The categories of this paper are: atom-ph
25
The categories of this paper are: patt-sol
29
The categories of this paper are: funct-an
7
The categories of this paper are: hep-th
8
The categories of this paper are: hep-ex
11
The categories of this paper are: hep-lat
1
The categories of this paper are: cs
12
The categories of this paper are: nucl-th
33
The categories of this paper are: plasm-ph