Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Configurational entropy of hydrogen-disordered ice polymorphs   The configurational entropy of several H-disordered ice polymorphs is
calculated by means of a thermodynamic integration along a path between a
totally H-disordered state and one fulfilling the Bernal-Fowler ice rules. A
Monte Carlo procedure based on a simple energy model is used, so that the
employed thermodynamic path drives the system from high temperatures to the
low-temperature limit. This method turns out to be precise enough to give
reliable values for the configurational entropy of different ice phases in the
thermodynamic limit (number of molecules N --> infinity). The precision of the
method is checked for the ice model on a two-dimensional square lattice.
Results for the configurational entropy are given for H-disordered arrangements
on several polymorphs, including ices Ih, Ic, II, III, IV, V, VI, and XII. The
highest and lowest entropy values correspond to ices VI and XII, respectively,
with a difference of 3.3\% between them. The dependence of the entropy on the
ice structures has been rationalized by comparing it with structural parameters
of the various polymorphs, such as the mean ring size. A particularly good
correlation has been found between the configurational entropy and the
connective constant derived from self-avoiding walks on the ice networks.

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The categories of this paper are: hep-th
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The categories of this paper are: gr-qc
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The categories of this paper are: patt-sol
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The categories of this paper are: supr-con
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The categories of this paper are: acc-phys
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The categories of this paper are: chao-dyn
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The categories of this paper are: nucl-th
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The categories of this paper are: quant-ph
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The categories of this paper are: comp-gas
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The categories of this paper are: eess
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The categories of this paper are: funct-an
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The categories of this paper are: hep-lat
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The categories of this paper are: dg-ga
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The categories of this paper are: adap-org
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The categories of this paper are: q-alg
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The categories of this paper are: atom-ph