228 research outputs found
Molecular-Dynamics Simulation of a Glassy Polymer Melt: Incoherent Scattering Function
We present simulation results for a model polymer melt, consisting of short,
nonentangled chains, in the supercooled state. The analysis focuses on the
monomer dynamics, which is monitored by the incoherent intermediate scattering
function. The scattering function is recorded over six decades in time and for
many different wave-vectors. The lowest temperatures studied are slightly above
the critical temperature of mode-coupling theory (MCT), which was determined
from a quantitative analysis of the beta- and alpha-relaxations. We find
evidence for the space-time factorization theorem in the beta-relaxation
regime, and for the time-temperature superposition principle in the
alpha-regime, if the temperature is not too close to the critical temperature.
The wave-vector dependence of the nonergodicity parameter, of the critical
amplitude, and the alpha-relaxation time are in qualitative agreement with
calculations for hard spheres. For wave-vectors larger than the maximum of the
structure factor the alpha-relaxation time already agrees fairly well with the
asymptotic MCT-prediction. The behavior of the relaxation time at small
wave-vectors can be rationalized by the validity of the Gaussian approximation
and the value of the Kohlrausch stretching exponent.Comment: 23 pages of REVTeX, 13 PostScript figures, submitted to Phys. Rev.
Mode-coupling theory for structural and conformational dynamics of polymer melts
A mode-coupling theory for dense polymeric systems is developed which
unifyingly incorporates the segmental cage effect relevant for structural
slowing down and polymer chain conformational degrees of freedom. An ideal
glass transition of polymer melts is predicted which becomes molecular-weight
independent for large molecules. The theory provides a microscopic
justification for the use of the Rouse theory in polymer melts, and the results
for Rouse-mode correlators and mean-squared displacements are in good agreement
with computer simulation results.Comment: 4 pages, 3 figures, Phys. Rev. Lett. in pres
Theory for Superconducting Properties of the Cuprates: Doping Dependence of the Electronic Excitations and Shadow States
The superconducting phase of the 2D one-band Hubbard model is studied within
the FLEX approximation and by using an Eliashberg theory. We investigate the
doping dependence of , of the gap function and
of the effective pairing interaction. Thus we find that becomes maximal
for doping. In {\it overdoped} systems decreases due to the
weakening of the antiferromagnetic correlations, while in the {\it underdoped}
systems due to the decreasing quasi particle lifetimes. Furthermore, we find
{\it shadow states} below which affect the electronic excitation spectrum
and lead to fine structure in photoemission experiments.Comment: 10 pages (REVTeX) with 5 figures (Postscript
Electronic theory for superconductivity in SrRuO: triplet pairing due to spin-fluctuation exchange
Using a two-dimensional Hubbard Hamiltonian for the three electronic bands
crossing the Fermi level in SrRuO we calculate the band structure and
spin susceptibility in quantitative agreement with
nuclear magnetic resonance (NMR) and inelastic neutron scattering (INS)
experiments. The susceptibility has two peaks at {\bf Q}
due to the nesting Fermi surface properties and at {\bf q}
due to the tendency towards ferromagnetism. Applying spin-fluctuation exchange
theory as in layered cuprates we determine from ,
electronic dispersions, and Fermi surface topology that superconductivity in
SrRuO consists of triplet pairing. Combining the Fermi surface topology
and the results for we can exclude and wave
symmetry for the superconducting order parameter. Furthermore, within our
analysis and approximations we find that -wave symmetry is slightly favored
over p-wave symmetry due to the nesting properties of the Fermi surface.Comment: 5 pages, 5 figures, misprints correcte
Spin Josephson effect in ferromagnet/ferromagnet tunnel junctions
We consider the tunnel spin current between two ferromagnetic metals from a
perspective similar to the one used in superconductor/superconductor tunnel
junctions. We use fundamental arguments to derive a Josephson-like spin tunnel
current . Here the phases are
associated with the planar contribution to the magnetization,
. The crucial step in our
analysis is the fact that the -component of the spin is canonically
conjugate to the phase of the planar contribution: . This is
analogous to the commutation relation in superconductors, where
is the phase associated to the superconducting order parameter and
is the Cooper pair number operator. We briefly discuss the experimental
consequences of our theoretical analysis.Comment: LaTex, seven pages, no figures; version to appear in Europhys. Lett.;
in order to make room for a more extended microscopic analysis, the
phenomenological discussion contained in v2 was remove
Simple theory for spin-lattice relaxation in metallic rare earth ferromagnets
The spin-lattice relaxation time is a key quantity both for the
dynamical response of ferromagnets excited by laser pulses and as the speed
limit of magneto-optical recording. Extending the theory for the electron
paramagnetic resonance of magnetic impurities to spin-lattice relaxation in
ferromagnetic rare earths we calculate for Gd and find a value of
48 ps in very good agreement with time-resolved spin-polarized photoemission
experiments. We argue that the time scale for in metals is
essentially given by the spin-orbit induced magnetocrystalline anisotropy
energy.Comment: 18 pages revtex, 5 uuencoded figure
Effects of a nanoscopic filler on the structure and dynamics of a simulated polymer melt and the relationship to ultra-thin films
We perform molecular dynamics simulations of an idealized polymer melt
surrounding a nanoscopic filler particle to probe the effects of a filler on
the local melt structure and dynamics. We show that the glass transition
temperature of the melt can be shifted to either higher or lower
temperatures by appropriately tuning the interactions between polymer and
filler. A gradual change of the polymer dynamics approaching the filler surface
causes the change in the glass transition. We also find that while the bulk
structure of the polymers changes little, the polymers close to the surface
tend to be elongated and flattened, independent of the type of interaction we
study. Consequently, the dynamics appear strongly influenced by the
interactions, while the melt structure is only altered by the geometric
constraints imposed by the presence of the filler. Our findings show a strong
similarity to those obtained for ultra-thin polymer films (thickness nm) suggesting that both ultra-thin films and filled-polymer systems might
be understood in the same context
Theory for the Ultrafast Structural Response of optically excited small clusters: Time-dependence of the Ionization Potential
Combining an electronic theory with molecular dynamics simulations we present
results for the ultrafast structural changes in small clusters. We determine
the time scale for the change from the linear to a triangular structure after
the photodetachment process Ag. We show that the
time-dependent change of the ionization potential reflects in detail the
internal degrees of freedom, in particular coherent and incoherent motion, and
that it is sensitive to the initial temperature. We compare with experiment and
point out the general significance of our results.Comment: 10 pages, Revtex, 3 postscript figure
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