25,404 research outputs found
Optimization of robustness of scale-free network to random and targeted attacks
The scale-fee networks, having connectivity distribution (where is the site connectivity), is very resilient to random
failures but fragile to intentional attack. The purpose of this paper is to
find the network design guideline which can make the robustness of the network
to both random failures and intentional attack maximum while keeping the
average connectivity per node constant. We find that when $=3$ the
robustness of the scale-free networks reach its maximum value if the minimal
connectivity $m=1$, but when is larger than four, the networks will
become more robust to random failures and targeted attacks as the minimal
connectivity gets larger
Optimization of scale-free network for random failures
It has been found that the networks with scale-free distribution are very
resilient to random failures. The purpose of this work is to determine the
network design guideline which maximize the network robustness to random
failures with the average number of links per node of the network is constant.
The optimal value of the distribution exponent and the minimum connectivity to
different network size are given in this paper. Finally, the optimization
strategy how to improve the evolving network robustness is given.Comment: 6 pages, 1 figur
First-principles study of stability and vibrational properties of tetragonal PbTiO_3
A first-principles study of the vibrational modes of PbTiO_3 in the
ferroelectric tetragonal phase has been performed at all the main symmetry
points of the Brillouin zone (BZ). The calculations use the local-density
approximation and ultrasoft pseudopotentials with a plane-wave basis, and
reproduce well the available experimental information on the modes at the Gamma
point, including the LO-TO splittings. The work was motivated in part by a
previously reported transition to an orthorhombic phase at low temperatures
[(J. Kobayashi, Y. Uesu, and Y. Sakemi, Phys. Rev. B {\bf 28}, 3866 (1983)]. We
show that a linear coupling of orthorhombic strain to one of the modes at Gamma
plays a role in the discussion of the possibility of this phase transition.
However, no mechanical instabilities (soft modes) are found, either at Gamma or
at any of the other high-symmetry points of the BZ.Comment: 8 pages, two-column style with 3 postscript figures embedded. Uses
REVTEX and epsf macros. Also available at
http://www.physics.rutgers.edu/~dhv/preprints/index.html#ag_pbt
LDA+Gutzwiller Method for Correlated Electron Systems: Formalism and Its Applications
We introduce in detail our newly developed \textit{ab initio} LDA+Gutzwiller
method, in which the Gutzwiller variational approach is naturally incorporated
with the density functional theory (DFT) through the "Gutzwiller density
functional theory (GDFT)" (which is a generalization of original Kohn-Sham
formalism). This method can be used for ground state determination of electron
systems ranging from weakly correlated metal to strongly correlated insulators
with long-range ordering. We will show that its quality for ground state is as
high as that by dynamic mean field theory (DMFT), and yet it is computationally
much cheaper. In additions, the method is fully variational, the charge-density
self-consistency can be naturally achieved, and the quantities, such as total
energy, linear response, can be accurately obtained similar to LDA-type
calculations. Applications on several typical systems are presented, and the
characteristic aspects of this new method are clarified. The obtained results
using LDA+Gutzwiller are in better agreement with existing experiments,
suggesting significant improvements over LDA or LDA+U.Comment: 20 pages, 11 figure
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