3,981 research outputs found
Thermodynamically Stable One-Component Metallic Quasicrystals
Classical density-functional theory is employed to study finite-temperature
trends in the relative stabilities of one-component quasicrystals interacting
via effective metallic pair potentials derived from pseudopotential theory.
Comparing the free energies of several periodic crystals and rational
approximant models of quasicrystals over a range of pseudopotential parameters,
thermodynamically stable quasicrystals are predicted for parameters approaching
the limits of mechanical stability of the crystalline structures. The results
support and significantly extend conclusions of previous ground-state
lattice-sum studies.Comment: REVTeX, 13 pages + 2 figures, to appear, Europhys. Let
New results for the degree/diameter problem
The results of computer searches for large graphs with given (small) degree
and diameter are presented. The new graphs are Cayley graphs of semidirect
products of cyclic groups and related groups. One fundamental use of our
``dense graphs'' is in the design of efficient communication network
topologies.Comment: 15 page
Influence of metallic nanoparticles on upconversion processes
It is well known that Raman scattering and fluorescence can be enhanced by
the presence of metallic nanoparticles. Here, we derive simple equations to
analyse the influence of metallic nanoparticles on upconversion processes such
as non-radiative energy transfer or excited state absorption. We compare the
resulting expressions with the more familiar Raman and fluorescence cases, and
find significant differences. We use numerical simulations to calculate the
upconverted signal enhancement achievable by means of metallic spheres of
different radii, and find particles of 100-400nm radius at infrared frequencies
to be favorable. We also discuss the considerable challenges involved in using
metallic particles to enhance upconversion for solar energy.Comment: Changes mostly made on the structure of the text and on the notation
to improve clarity. Other changes attempt to better clarify the conditions
under which the equations and simulations are valid. Main results and
conclusions essentially unchange
Phase Separation in Charge-Stabilized Colloidal Suspensions: Influence of Nonlinear Screening
The phase behavior of charge-stabilized colloidal suspensions is modeled by a
combination of response theory for electrostatic interparticle interactions and
variational theory for free energies. Integrating out degrees of freedom of the
microions (counterions, salt ions), the macroion-microion mixture is mapped
onto a one-component system governed by effective macroion interactions. Linear
response of microions to the electrostatic potential of the macroions results
in a screened-Coulomb (Yukawa) effective pair potential and a one-body volume
energy, while nonlinear response modifies the effective interactions [A. R.
Denton, \PR E {\bf 70}, 031404 (2004)]. The volume energy and effective pair
potential are taken as input to a variational free energy, based on
thermodynamic perturbation theory. For both linear and first-order nonlinear
effective interactions, a coexistence analysis applied to aqueous suspensions
of highly charged macroions and monovalent microions yields bulk separation of
macroion-rich and macroion-poor phases below a critical salt concentration, in
qualitative agreement with predictions of related linearized theories [R. van
Roij, M. Dijkstra, and J.-P. Hansen, \PR E {\bf 59}, 2010 (1999); P. B. Warren,
\JCP {\bf 112}, 4683 (2000)]. It is concluded that nonlinear screening can
modify phase behavior but does not necessarily suppress bulk phase separation
of deionized suspensions.Comment: 14 pages of text + 9 figure
The Structure of Barium in the hcp Phase Under High Pressure
Recent experimental results on two hcp phases of barium under high pressure
show interesting variation of the lattice parameters. They are here interpreted
in terms of electronic structure calculation by using the LMTO method and
generalized pseudopotential theory (GPT) with a NFE-TBB approach. In phase II
the dramatic drop in c/a is an instability analogous to that in the group II
metals but with the transfer of s to d electrons playing a crucial role in Ba.
Meanwhile in phase V, the instability decrease a lot due to the core repulsion
at very high pressure. PACS numbers: 62.50+p, 61.66Bi, 71.15.Ap, 71.15Hx,
71.15LaComment: 29 pages, 8 figure
Generalized van der Waals theory of liquid-liquid phase transitions
In the framework of the thermodynamic perturbation theory for fluids we study
how the phase diagram of an isotropic repulsive soft-core attractive potential,
where a liquid-liquid phase transition exists in addition to the standard
gas-liquid phase transition, changes by varying the parameters of the
potential. We show that existence of the liquid-liquid transition is determined
by the interplay of the parameters of the potential and the structure of a
reference liquid.Comment: 5 pages, 6 figure
Nonlinear Screening and Effective Electrostatic Interactions in Charge-Stabilized Colloidal Suspensions
A nonlinear response theory is developed and applied to electrostatic
interactions between spherical macroions, screened by surrounding microions, in
charge-stabilized colloidal suspensions. The theory describes leading-order
nonlinear response of the microions (counterions, salt ions) to the
electrostatic potential of the macroions and predicts microion-induced
effective many-body interactions between macroions. A linear response
approximation [Phys. Rev. E 62, 3855 (2000)] yields an effective pair potential
of screened-Coulomb (Yukawa) form, as well as a one-body volume energy, which
contributes to the free energy. Nonlinear response generates effective
many-body interactions and essential corrections to both the effective pair
potential and the volume energy. By adopting a random-phase approximation (RPA)
for the response functions, and thus neglecting microion correlations,
practical expressions are derived for the effective pair and triplet potentials
and for the volume energy. Nonlinear screening is found to weaken repulsive
pair interactions, induce attractive triplet interactions, and modify the
volume energy. Numerical results for monovalent microions are in good agreement
with available ab initio simulation data and demonstrate that nonlinear effects
grow with increasing macroion charge and concentration and with decreasing salt
concentration. In the dilute limit of zero macroion concentration,
leading-order nonlinear corrections vanish. Finally, it is shown that nonlinear
response theory, when combined with the RPA, is formally equivalent to the
mean-field Poisson-Boltzmann theory and that the linear response approximation
corresponds, within integral-equation theory, to a linearized hypernetted-chain
closure.Comment: 30 pages, 8 figures, Phys. Rev. E (in press
Systemic epidermal nevus with involvement of the oral mucosa due to FGFR3 mutation
Our results show that activating FGFR3 mutations can also affect the oral mucosa and that extracutaneous manifestations of EN syndrome can be subtle. We highlight the theoretical risk of the patient having an offspring with thanatophoric dysplasia as gonadal mosaicism for the R248C mutation cannot be excluded
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