Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Thermal transport properties of single-layer black phosphorous from
  extensive molecular dynamics simulations   We compute the anisotropic in-plane thermal conductivity of suspended
single-layer black phosphorous (SLBP) using three molecular dynamics (MD) based
methods, including the equilibrium MD method, the nonequilibrium MD (NEMD)
method, and the homogeneous nonequilibrium MD (HNEMD) method. Two existing
parameterizations of the Stillinger-Weber (SW) potential for SLBP are used.
Consistent results are obtained for all the three methods and conflicting
results from previous MD simulations are critically assessed. Among the three
methods, the HNEMD method is the most and the NEMD method the least efficient.
The thermal conductivity values from our MD simulations are about an order of
magnitude larger than the most recent predictions obtained using the Boltzmann
transport equation approach considering long-range interactions in density
functional theory calculations, suggesting that the short-range SW potential
might be inadequate for describing the phonon anharmonicity in SLBP.

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The categories of this paper are: math-ph
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The categories of this paper are: ao-sci
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The categories of this paper are: q-bio
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The categories of this paper are: cmp-lg
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The categories of this paper are: chao-dyn
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The categories of this paper are: gr-qc
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The categories of this paper are: dg-ga
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The categories of this paper are: hep-ph
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The categories of this paper are: nucl-ex
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The categories of this paper are: hep-ex
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The categories of this paper are: acc-phys
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The categories of this paper are: stat
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The categories of this paper are: econ
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The categories of this paper are: patt-sol
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The categories of this paper are: bayes-an
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The categories of this paper are: hep-th