392 research outputs found
Lattice-based QCD equation of state at finite baryon density: Cluster Expansion Model
The QCD equation of state at finite baryon density is studied in the framework of a Cluster Expansion Model (CEM), which is based on the fugacity expansion of the net baryon density. The CEM uses the two leading Fourier coefficients, obtained from lattice simulations at imaginary mu(B), as the only model input and permits a closed analytic form. Excellent description of the available lattice data at both mu(B) = 0 and at imaginary mu(B) is obtained. We also demonstrate how the Fourier coefficients can be reconstructed from baryon number susceptibilities
Masses and Phase Structure in the Ginzburg-Landau Model
We study numerically the phase structure of the Ginzburg-Landau model, with
particular emphasis on mass measurements. There is no local gauge invariant
order parameter, but we find that there is a phase transition characterized by
a vanishing photon mass. For type I superconductors the transition is of 1st
order. For type II 1st order is excluded by susceptibility analysis, but the
photon correlation length suggests 2nd order critical behaviour with \nu ~ 1/2.
The scalar mass, in contrast, does not show clear critical behaviour in the
type II regime for V \to \infty, contrary to the conventional picture.Comment: 16 pages, 6 figures. More data gathered, allowing more definite
conclusion
Assessing the Performance of Recent Density Functionals for Bulk Solids
We assess the performance of recent density functionals for the
exchange-correlation energy of a nonmolecular solid, by applying accurate
calculations with the GAUSSIAN, BAND, and VASP codes to a test set of 24 solid
metals and non-metals. The functionals tested are the modified
Perdew-Burke-Ernzerhof generalized gradient approximation (PBEsol GGA), the
second-order GGA (SOGGA), and the Armiento-Mattsson 2005 (AM05) GGA. For
completeness, we also test more-standard functionals: the local density
approximation, the original PBE GGA, and the Tao-Perdew-Staroverov-Scuseria
(TPSS) meta-GGA. We find that the recent density functionals for solids reach a
high accuracy for bulk properties (lattice constant and bulk modulus). For the
cohesive energy, PBE is better than PBEsol overall, as expected, but PBEsol is
actually better for the alkali metals and alkali halides. For fair comparison
of calculated and experimental results, we consider the zero-point phonon and
finite-temperature effects ignored by many workers. We show how Gaussian basis
sets and inaccurate experimental reference data may affect the rating of the
quality of the functionals. The results show that PBEsol and AM05 perform
somewhat differently from each other for alkali metal, alkaline earth metal and
alkali halide crystals (where the maximum value of the reduced density gradient
is about 2), but perform very similarly for most of the other solids (where it
is often about 1). Our explanation for this is consistent with the importance
of exchange-correlation nonlocality in regions of core-valence overlap.Comment: 32 pages, single pdf fil
Adsorption of CO on a Platinum (111) surface - a study within a four-component relativistic density functional approach
We report on results of a theoretical study of the adsorption process of a
single carbon oxide molecule on a Platinum (111) surface. A four-component
relativistic density functional method was applied to account for a proper
description of the strong relativistic effects. A limited number of atoms in
the framework of a cluster approach is used to describe the surface. Different
adsorption sites are investigated. We found that CO is preferably adsorbed at
the top position.Comment: 23 Pages with 4 figure
Unicystic ameloblastoma of the mandible - an unusual case report and review of literature
Ameloblastoma is a true neoplasm of odontogenic epithelial origin. It is the second most common odontogenic neoplasm, and only odontoma outnumbers it in reported frequency of occurrence. Its incidence, combined with its clinical behavior, makes ameloblastoma the most significant odontogenic neoplasm. Unicystic ameloblastoma (UA) refers to those cystic lesions that show clinical, radiographic, or gross features of a mandibular cyst, but on histologic examination show a typical ameloblastomatous epithelium lining part of the cyst cavity, with or without luminal and/or mural tumor growth. It accounts for 5-15% of all intraosseous ameloblastomas. We report a case of unicystic ameloblastoma in a 30-year-old female, and review the literature
Connection between Chiral Symmetry Restoration and Deconfinement
We propose a simple explanation for the connection between chiral symmetry
restoration and deconfinement in QCD at high temperature. In the Higgs
description of the QCD vacuum both spontaneous chiral symmetry breaking and
effective gluon masses are generated by the condensate of a color octet
quark-antiquark pair. The transition to the high temperature state proceeds by
the melting of this condensate. Quarks and gluons become (approximately)
massless at the same critical temperature. For instanton-dominated effective
multiquark interactions and three light quarks with equal mass we find a first
order phase transition at a critical temperature around 170 MeV.Comment: New section on vortices,33 pages,LaTe
Pseudopotential study of binding properties of solids within generalized gradient approximations: The role of core-valence exchange-correlation
In ab initio pseudopotential calculations within density-functional theory
the nonlinear exchange-correlation interaction between valence and core
electrons is often treated linearly through the pseudopotential. We discuss the
accuracy and limitations of this approximation regarding a comparison of the
local density approximation (LDA) and generalized gradient approximations
(GGA), which we find to describe core-valence exchange-correlation markedly
different. (1) Evaluating the binding properties of a number of typical solids
we demonstrate that the pseudopotential approach and namely the linearization
of core-valence exchange-correlation are both accurate and limited in the same
way in GGA as in LDA. (2) Examining the practice to carry out GGA calculations
using pseudopotentials derived within LDA we show that the ensuing results
differ significantly from those obtained using pseudopotentials derived within
GGA. As principal source of these differences we identify the distinct behavior
of core-valence exchange-correlation in LDA and GGA which, accordingly,
contributes substantially to the GGA induced changes of calculated binding
properties.Comment: 13 pages, 6 figures, submitted to Phys. Rev. B, other related
publications can be found at http://www.rz-berlin.mpg.de/th/paper.htm
Self-diffusion of adatoms, dimers, and vacancies on Cu(100)
We use ab initio static relaxation methods and semi-empirical
molecular-dynamics simulations to investigate the energetics and dynamics of
the diffusion of adatoms, dimers, and vacancies on Cu(100). It is found that
the dynamical energy barriers for diffusion are well approximated by the
static, 0 K barriers and that prefactors do not depend sensitively on the
species undergoing diffusion. The ab initio barriers are observed to be
significantly lower when calculated within the generalized-gradient
approximation (GGA) rather than in the local-density approximation (LDA). Our
calculations predict that surface diffusion should proceed primarily via the
diffusion of vacancies. Adatoms are found to migrate most easily via a jump
mechanism. This is the case, also, of dimers, even though the corresponding
barrier is slightly larger than it is for adatoms. We observe, further, that
dimers diffuse more readily than they can dissociate. Our results are discussed
in the context of recent submonolayer growth experiments of Cu(100).Comment: Submitted to the Physical Review B; 15 pages including postscript
figures; see also http://www.centrcn.umontreal.ca/~lewi
Deconfining Phase Transition as a Matrix Model of Renormalized Polyakov Loops
We discuss how to extract renormalized from bare Polyakov loops in SU(N)
lattice gauge theories at nonzero temperature in four spacetime dimensions.
Single loops in an irreducible representation are multiplicatively renormalized
without mixing, through a renormalization constant which depends upon both
representation and temperature. The values of renormalized loops in the four
lowest representations of SU(3) were measured numerically on small, coarse
lattices. We find that in magnitude, condensates for the sextet and octet loops
are approximately the square of the triplet loop. This agrees with a large
expansion, where factorization implies that the expectation values of loops in
adjoint and higher representations are just powers of fundamental and
anti-fundamental loops. For three colors, numerically the corrections to the
large relations are greatest for the sextet loop, ; these
represent corrections of for N=3. The values of the renormalized
triplet loop can be described by an SU(3) matrix model, with an effective
action dominated by the triplet loop. In several ways, the deconfining phase
transition for N=3 appears to be like that in the matrix model of
Gross and Witten.Comment: 24 pages, 7 figures; v2, 27 pages, 12 figures, extended discussion
for clarity, results unchange
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