7,701 research outputs found
Novel crystal phase in suspensions of hard ellipsoids
We present a computer simulation study on the crystalline phases of hard
ellipsoids of revolution. For aspect ratios greater than or equal to 3 the
previously suggested stretched-fcc phase [D. Frenkel and B. M. Mulder, Mol.
Phys. 55, 1171 (1985)] is replaced by a novel crystalline phase. Its unit cell
contains two ellipsoids with unequal orientations. The lattice is simple
monoclinic. The angle of inclination of the lattice, beta, is a very soft
degree of freedom, while the two right angles are stiff. For one particular
value of beta, the close-packed version of this crystal is a specimen of the
family of superdense packings recently reported [Donev et al., Phys. Rev. Lett.
92, 255506 (2004)]. These results are relevant for studies of nucleation and
glassy dynamics of colloidal suspensions of ellipsoids.Comment: 4 pages, 4 figure
Solid-solid phase transition in hard ellipsoids
We present a computer simulation study of the crystalline phases of hard
ellipsoids of revolution. A previous study [Phys. Rev. E, \textbf{75}, 020402
(2007)] showed that for aspect ratios the previously suggested
stretched-fcc phase [Mol. Phys., \textbf{55}, 1171 (1985)] is unstable with
respect to a simple monoclinic phase with two ellipsoids of different
orientations per unit cell (SM2). In order to study the stability of these
crystalline phases at different aspect ratios and as a function of density we
have calculated their free energies by thermodynamic integration. The
integration path was sampled by an expanded ensemble method in which the
weights were adjusted by the Wang-Landau algorithm.
We show that for aspect ratios the SM2 structure is more stable
than the stretched-fcc structure for all densities above solid-nematic
coexistence. Between and our calculations reveal a
solid-solid phase transition
Crystallization in Glassy Suspensions of Hard Ellipsoids
We have carried out computer simulations of overcompressed suspensions of
hard monodisperse ellipsoids and observed their crystallization dynamics. The
system was compressed very rapidly in order to reach the regime of slow,
glass-like dynamics. We find that, although particle dynamics become
sub-diffusive and the intermediate scattering function clearly develops a
shoulder, crystallization proceeds via the usual scenario: nucleation and
growth for small supersaturations, spinodal decomposition for large
supersaturations.
In particular, we compared the mobility of the particles in the regions where
crystallization set in with the mobility in the rest of the system. We did not
find any signature in the dynamics of the melt that pointed towards the
imminent crystallization events
Dynamical precursor of nematic order in a dense fluid of hard ellipsoids of revolution
We investigate hard ellipsoids of revolution in a parameter regime where no
long range nematic order is present but already finite size domains are formed
which show orientational order. Domain formation leads to a substantial slowing
down of a collective rotational mode which separates well from the usual
microscopic frequency regime. A dynamic coupling of this particular mode into
all other modes provides a general mechanism which explains an excess peak in
spectra of molecular fluids. Using molecular dynamics simulation on up to 4096
particles and on solving the molecular mode coupling equation we investigate
dynamic properties of the peak and prove its orientational origin.Comment: RevTeX4 style, 7 figure
Dynamic Glass Transition in Two Dimensions
The question about the existence of a structural glass transition in two
dimensions is studied using mode coupling theory (MCT). We determine the
explicit d-dependence of the memory functional of mode coupling for
one-component systems. Applied to two dimensions we solve the MCT equations
numerically for monodisperse hard discs. A dynamic glass transition is found at
a critical packing fraction phi_c^{d=2} = 0.697 which is above phi_c^{d=3} =
0.516 by about 35%. phi^d_c scales approximately with phi^d_{\rm rcp} the value
for random close packing, at least for d=2, 3. Quantities characterizing the
local, cooperative 'cage motion' do not differ much for d=2 and d=3, and we
e.g. find the Lindemann criterion for the localization length at the glass
transition. The final relaxation obeys the superposition principle, collapsing
remarkably well onto a Kohlrausch law. The d=2 MCT results are in qualitative
agreement with existing results from MC and MD simulations. The mean squared
displacements measured experimentally for a quasi-two-dimensional binary system
of dipolar hard spheres can be described satisfactorily by MCT for monodisperse
hard discs over four decades in time provided the experimental control
parameter Gamma (which measures the strength of dipolar interactions) and the
packing fraction phi are properly related to each other.Comment: 14 pages, 15 figure
Microscopic theory of glassy dynamics and glass transition for molecular crystals
We derive a microscopic equation of motion for the dynamical orientational
correlators of molecular crystals. Our approach is based upon mode coupling
theory. Compared to liquids we find four main differences: (i) the memory
kernel contains Umklapp processes, (ii) besides the static two-molecule
orientational correlators one also needs the static one-molecule orientational
density as an input, where the latter is nontrivial, (iii) the static
orientational current density correlator does contribute an anisotropic,
inertia-independent part to the memory kernel, (iv) if the molecules are
assumed to be fixed on a rigid lattice, the tensorial orientational correlators
and the memory kernel have vanishing l,l'=0 components. The resulting mode
coupling equations are solved for hard ellipsoids of revolution on a rigid
sc-lattice. Using the static orientational correlators from Percus-Yevick
theory we find an ideal glass transition generated due to precursors of
orientational order which depend on X and p, the aspect ratio and packing
fraction of the ellipsoids. The glass formation of oblate ellipsoids is
enhanced compared to that for prolate ones. For oblate ellipsoids with X <~ 0.7
and prolate ellipsoids with X >~ 4, the critical diagonal nonergodicity
parameters in reciprocal space exhibit more or less sharp maxima at the zone
center with very small values elsewhere, while for prolate ellipsoids with 2 <~
X <~ 2.5 we have maxima at the zone edge. The off-diagonal nonergodicity
parameters are not restricted to positive values and show similar behavior. For
0.7 <~ X <~ 2, no glass transition is found. In the glass phase, the
nonergodicity parameters show a pronounced q-dependence.Comment: 17 pages, 12 figures, accepted at Phys. Rev. E. v4 is almost
identical to the final paper version. It includes, compared to former
versions v2/v3, no new physical content, but only some corrected formulas in
the appendices and corrected typos in text. In comparison to version v1, in
v2-v4 some new results have been included and text has been change
Dynamics of uniaxial hard ellipsoids
We study the dynamics of monodisperse hard ellipsoids via a new event-driven
molecular dynamics algorithm as a function of volume fraction and aspect
ratio . We evaluate the translational and the rotational
diffusion coefficient and the associated isodiffusivity lines in the
plane. We observe a decoupling of the translational and rotational
dynamics which generates an almost perpendicular crossing of the
and isodiffusivity lines. While the self intermediate scattering
function exhibits stretched relaxation, i.e. glassy dynamics, only for large
and , the second order orientational correlator
shows stretching only for large and small values. We discuss these
findings in the context of a possible pre-nematic order driven glass
transition.Comment: accepted by Phys. Rev. Let
Anomalous He-Gas High-Pressure Studies on Superconducting LaO1-xFxFeAs
AC susceptibility measurements have been carried out on superconducting
LaO1-xFxFeAs for x=0.07 and 0.14 under He-gas pressures to about 0.8 GPa. Not
only do the measured values of dTc/dP differ substantially from those obtained
in previous studies using other pressure media, but the Tc(P) dependences
observed depend on the detailed pressure/temperature history of the sample. A
sizeable sensitivity of Tc(P) to shear stresses provides a possible
explanation
Effect of mixing and spatial dimension on the glass transition
We study the influence of composition changes on the glass transition of
binary hard disc and hard sphere mixtures in the framework of mode coupling
theory. We derive a general expression for the slope of a glass transition
line. Applied to the binary mixture in the low concentration limits, this new
method allows a fast prediction of some properties of the glass transition
lines. The glass transition diagram we find for binary hard discs strongly
resembles the random close packing diagram. Compared to 3D from previous
studies, the extension of the glass regime due to mixing is much more
pronounced in 2D where plasticization only sets in at larger size disparities.
For small size disparities we find a stabilization of the glass phase quadratic
in the deviation of the size disparity from unity.Comment: 13 pages, 8 figures, Phys. Rev. E (in print
Diffractive photoproduction of opposite-charge pseudoscalar meson pairs at high energies
We calculate the cross section for diffractive photoproduction of
opposite-charge pseudoscalar meson pairs , ,
and in a broad range of center-of-mass energies relevant
for GlueX/Hall D, FOCUS, COMPASS and HERA experiments. In the case of
production we find that the interference of the resonance
and the two-pion continuum leads to a considerable deformation of the shape of
in agreement with the data from the ZEUS collaboration. We also
discuss the spectral shape of the as a function of the momentum
transfer and the contribution of higher partial waves to the mass
spectrum. We predict a sizeable energy-dependent forward-backward asymmetry in
the Gottfried-Jackson frame. For the heavy meson production we find that the
cross section for diffractive production increases much slower than the one for
open charm or bottom production. We discuss lower and upper limits for the
cross sections for diffractive production of and pairs,
which we find can be as large as 10% of the open flavor production.Comment: 14 pages, 19 figure
- …