Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Two-structure thermodynamics for the TIP4P/2005 model of water covering
  supercooled and deeply stretched regions   One of the most promising frameworks for understanding the anomalies of cold
and supercooled water postulates the existence of two competing,
interconvertible local structures. If the non-ideality in the Gibbs energy of
mixing overcomes the ideal entropy of mixing of these two structures, a
liquid-liquid phase transition, terminated at a liquid-liquid critical point,
is predicted. Various versions of the "two-structure equation of state" (TSEOS)
based on this concept have shown remarkable agreement with both experimental
data for metastable, deeply supercooled water and simulations of molecular
water models. However, existing TSEOSs were not designed to describe the
negative pressure region and do not account for the stability limit of the
liquid state with respect to the vapor. While experimental data on supercooled
water at negative pressures may shed additional light on the source of the
anomalies of water, such data are very limited. To fill this gap, we have
analyzed simulation results for TIP4P/2005, one of the most accurate classical
water models available. We have used recently published simulation data, and
performed additional simulations, over a broad range of positive and negative
pressures, from ambient temperature to deeply supercooled conditions. We show
that, by explicitly incorporating the liquid-vapor spinodal into a TSEOS, we
are able to match the simulation data for TIP4P/2005 with remarkable accuracy.
In particular, this equation of state quantitatively reproduces the lines of
extrema in density, isothermal compressibility, and isobaric heat capacity.
Contrary to an explanation of the thermodynamic anomalies of water based on a
"retracing spinodal", the liquid-vapor spinodal in the present TSEOS continues
monotonically to lower pressures upon cooling, influencing but not giving rise
to density extrema and other thermodynamic anomalies.

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The categories of this paper are: econ
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The categories of this paper are: stat
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The categories of this paper are: bayes-an
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The categories of this paper are: eess
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The categories of this paper are: solv-int
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The categories of this paper are: comp-gas
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The categories of this paper are: physics
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The categories of this paper are: hep-lat
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The categories of this paper are: chao-dyn
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The categories of this paper are: astro-ph
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The categories of this paper are: hep-ph
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The categories of this paper are: math
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The categories of this paper are: acc-phys
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The categories of this paper are: quant-ph
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The categories of this paper are: hep-th
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The categories of this paper are: atom-ph