948 research outputs found
Revisiting waterlike network-forming lattice models
In a previous paper [J. Chem. Phys. 129, 024506 (2008)] we studied a 3
dimensional lattice model of a network-forming fluid, recently proposed in
order to investigate water anomalies. Our semi-analytical calculation, based on
a cluster-variation technique, turned out to reproduce almost quantitatively
several Monte Carlo results and allowed us to clarify the structure of the
phase diagram, including different kinds of orientationally ordered phases.
Here, we extend the calculation to different parameter values and to other
similar models, known in the literature. We observe that analogous ordered
phases occur in all these models. Moreover, we show that certain "waterlike"
thermodynamic anomalies, claimed by previous studies, are indeed artifacts of a
homogeneity assumption made in the analytical treatment. We argue that such a
difficulty is common to a whole class of lattice models for water, and suggest
a possible way to overcome the problem.Comment: 13 pages, 12 figure
Cluster-variation approximation for a network-forming lattice-fluid model
We consider a 3-dimensional lattice model of a network-forming fluid, which
has been recently investigated by Girardi and coworkers by means of Monte Carlo
simulations [J. Chem. Phys. \textbf{126}, 064503 (2007)], with the aim of
describing water anomalies. We develop an approximate semi-analytical
calculation, based on a cluster-variation technique, which turns out to
reproduce almost quantitatively different thermodynamic properties and phase
transitions determined by the Monte Carlo method. Nevertheless, our calculation
points out the existence of two different phases characterized by long-range
orientational order, and of critical transitions between them and to a
high-temperature orientationally-disordered phase. Also, the existence of such
critical lines allows us to explain certain ``kinks'' in the isotherms and
isobars determined by the Monte Carlo analysis. The picture of the phase
diagram becomes much more complex and richer, though unfortunately less
suitable to describe real water.Comment: 10 pages, 9 figures, submitted to J. Chem. Phy
Hydration of an apolar solute in a two-dimensional waterlike lattice fluid
In a previous work, we investigated a two-dimensional lattice-fluid model,
displaying some waterlike thermodynamic anomalies. The model, defined on a
triangular lattice, is now extended to aqueous solutions with apolar species.
Water molecules are of the "Mercedes Benz" type, i.e., they possess a D3
(equilateral triangle) symmetry, with three equivalent bonding arms. Bond
formation depends both on orientation and local density. The insertion of inert
molecules displays typical signatures of hydrophobic hydration: large positive
transfer free energy, large negative transfer entropy (at low temperature),
strong temperature dependence of the transfer enthalpy and entropy, i.e., large
(positive) transfer heat capacity. Model properties are derived by a
generalized first order approximation on a triangle cluster.Comment: 9 pages, 5 figures, 1 table; submitted to Phys. Rev.
Renormalization-group anatomy of transverse-momentum dependent parton distribution functions in QCD
The ultraviolet and rapidity divergences of transverse-momentum dependent
parton distribution functions with lightlike and transverse gauge links is
studied, also incorporating a soft eikonal factor. We find that in the
light-cone gauge with -independent pole prescriptions extra divergences
appear which amount, at one-loop, to a cusp-like anomalous dimension. We show
that such contributions are absent when the Mandelstam-Leibbrandt prescription
is used. In the first case, the soft factor cancels the anomalous-dimension
defect, while in the second case its ultraviolet-divergent part reduces to
unity.Comment: 10 pages, 3 figures; needs ws-mpla-hep.cls (supplied). Talk presented
by the first author at Workshop on "Recent Advances in Perturbative QCD and
Hadronic Physics", 20--25 July 2009, ECT*, Trento, Italy, in Honor of Prof.
Anatoly Efremov's 75th birthda
Transverse momentum dependent parton distributions in a light-cone quark model
The leading twist transverse momentum dependent parton distributions (TMDs)
are studied in a light-cone description of the nucleon where the Fock expansion
is truncated to consider only valence quarks. General analytic expressions are
derived in terms of the six amplitudes needed to describe the three-quark
sector of the nucleon light-cone wave function. Numerical calculations for the
T-even TMDs are presented in a light-cone constituent quark model, and the role
of the so-called pretzelosity is investigated to produce a nonspherical shape
of the nucleon.Comment: references added and typos corrected; version to appear in Phys. Rev.
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