Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Nonmonotonic dependence of the absolute entropy on temperature in
  supercooled Stillinger-Weber silicon   Using a recently developed thermodynamic integration method, we compute the
precise values of the excess Gibbs free energy (G^e) of the high density liquid
(HDL) phase with respect to the crystalline phase at different temperatures (T)
in the supercooled region of the Stillinger-Weber (SW) silicon [F. H.
Stillinger and T. A. Weber, Phys. Rev. B. 32, 5262 (1985)]. Based on the slope
of G^e with respect to T, we find that the absolute entropy of the HDL phase
increases as its enthalpy changes from the equilibrium value at T \ge 1065 K to
the value corresponding to a non-equilibrium state at 1060 K. We find that the
volume distribution in the equilibrium HDL phases become progressively broader
as the temperature is reduced to 1060 K, exhibiting van-der-Waals (VDW) loop in
the pressure-volume curves. Our results provides insight into the thermodynamic
cause of the transition from the HDL phase to the low density phases in SW
silicon, observed in earlier studies near 1060 K at zero pressure.

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The categories of this paper are: hep-lat
30
The categories of this paper are: q-alg
32
The categories of this paper are: atom-ph
21
The categories of this paper are: adap-org
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The categories of this paper are: funct-an
2
The categories of this paper are: math
16
The categories of this paper are: stat
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The categories of this paper are: econ
35
The categories of this paper are: mtrl-th
22
The categories of this paper are: chao-dyn
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The categories of this paper are: supr-con
36
The categories of this paper are: cmp-lg
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The categories of this paper are: math-ph
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The categories of this paper are: q-bio
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The categories of this paper are: dg-ga
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The categories of this paper are: ao-sci