Search results for "mode coupling"
showing 10 items of 62 documents
Monte Carlo simulation of the glass transition in three-dimensional dense polymer melts
1993
Abstract We determine the incoherent intermediate scattering function φsq(t) for a three-dimensional dense polymer melt. This function shows the signature of a two-step process which was quantitatively compared to the idealized mode coupling theory (MCT) within the β-relaxation regime. A major result of this analysis is that the studied temperature interval splits in a high temperature part, where the idealized theory describes φsq(t) over about three decades in time, and a low temperature part, where it strongly overestimates the freezing tendency of the melt. Since one can qualitatively attribute this discrepancy between the idealized MCT and the simulation data to hopping processes, the …
Glassy behavior of molecular crystals: A comparison between results from MD-simulation and mode coupling theory
2005
We have investigated the glassy behavior of a molecular crystal built up with chloroadamantane molecules. For a simple model of this molecule and a rigid fcc lattice a MD simulation was performed from which we obtained the dynamical orientational correlators $S_{\lambda \lambda '}({\bf{q}},t)$ and the ``self'' correlators $S_{\lambda \lambda '}^{(s)}(t)$, with $\lambda = (\ell, m)$, $\lambda' = (\ell', m')$. Our investigations are for the diagonal correlators $\lambda = \lambda'$. Since the lattice constant decreases with decreasing temperature which leads to an increase of the steric hindrance of the molecules, we find a strong slowing down of the relaxation. It has a high sensitivity on $…
Dynamic response of multiply connected primary-secondary systems
1990
The nodal equations of motion of the composite system are given in «total» and «relative» coordinates. In the framework of the component-mode synthesis method a coordinate transformation, here defined as an admissible one, is used to reduce the nodal equations of motion. This coordinate transformation is theoretically and numerically compared with the coordinate transformation usually used in the literature, which generally gives larger errors with respect to the former when a reduced number of nodes is considered
Contribution of mode coupling and phase-mixing of Alfv\'en waves to coronal heating
2017
This research has received funding from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement No. 647214) and from the UK Science and Technology Facilities Council. This work used the DiRAC Data Centric system at Durham University, operated by the Institute for Computational Cosmology on behalf of the STFC DiRAC HPC Facility (www.dirac.ac.uk. This equipment was funded by a BIS National E-infrastructure capital grant ST/K00042X/1, STFC capital grant ST/K00087X/1, DiRAC Operations grant ST/K003267/1 and Durham University. Context. Phase-mixing of Alfvén waves in the solar corona has been identified as one possible candid…
Bloch mode coupling investigation in silicon-on-insulator W1 photonic crystal waveguide
2004
We report in this paper the study of a W1 photonic crystal waveguide which supports two Bloch modes having different parity. A monomode ridge waveguide etched in a Silicon-On-Insulator substrate and connecting to the photonic crystal waveguide allows us to excite the even Bloch mode. Transmission measurements, performed on a broad spectral range, evidence the even mode propagation along the defect line and experimental spectrum is discussed in light of band diagram and FDTD calculations. Then spectrally resolved near-field patterns obtained by using a scanning near field optical microscope in collection mode for wavelengths inside and outside the multimode region of the photonic crystal wav…
Scaling symmetries and optimization of the refractive index profile in optical fibers
2019
The optical fiber refractive index profile has a significant role in the optical devices fabrication like fiber Bragg gratings (FBG) and acousto-optic devices and the way guided light interacts in the presence of external factors like strain, stress or even bends. The analysis of the fiber profile gets to be feasible throughout understanding the properties of the optical guided modes such as the effective index, group index, and the chromatic dispersion. Taking a broader look at previous publications that use standard commercial optical fibers, it becomes noticeable that the ideal core-cladding step index profile gives incompatible results when it comes to the experimental versus the simula…
Growing range of correlated motion in a polymer melt on cooling towards the glass transition
1999
Many liquids cooled to low temperatures form glasses (amorphous solids) instead of crystals. As the glass transition is approached, molecules become localized and relaxation times increase by many orders of magnitude1. Many features of this ‘slowing down’ are reasonably well described2 by the mode-coupling theory of supercooled liquids3. The ideal form of this theory predicts a dynamical critical temperature T c at which the molecules become permanently trapped in the ‘cage’ formed by their neighbours, and vitrification occurs. Although there is no sharp transition, because molecules do eventually escape their cage, its signature can still be observed in real and simulated liquids. Unlike c…
The glass transition in polymer melts
1994
This paper presents some results of a Monte Carlo simulation for the glass transition in two- and three-dimensional polymer melts. The melt was simulated by the bond-fluctuation model on a d-dimensional cubic lattice which was combined with a two-level hamiltonian favouring long bonds in order to generate a competition between the energetic and topological constraints in the system. This competition prevents crystallization and makes the melt freeze in an amorphous structure as soon as the internal relaxation times match the observation time of the simulation set by the cooling rate. The freezing point of the melt, i.e the glass transition temperature Tg, thus depends upon the cooling rate …
Monte Carlo and molecular dynamics simulation of the glass transition of polymers
1998
Two coarse-grained models for polymer chains in dense glass-forming polymer melts are studied by computer simulation: the bond-fluctuation model on a simple cubic lattice, where a bond-length potential favors long bonds, is treated by dynamic Monte Carlo methods, and a bead-spring model in the continuum with a Lennard-Jones potential between the beads is treated by Molecular Dynamics. While the dynamics of both models differ for short length scales and associated time scales, on mesoscopic spatial and temporal scales both models behave similarly. In particular, the mode coupling theory of the glass transition can be used to interpret the slowing down of the undercooled polymer melt. For the…
Glass transition of polymer melts: Test of theoretical concepts by computer simulation.
2003
Abstract Polymers are good glass formers and allow for the study of melts near the glass transition in (meta-)stable equilibrium. Theories of the glass transition imply such an equilibrium and can, hence, be tested by the study of polymer melts. After a brief summary of the basic experimental facts about the glass transition in polymers, the main theoretical concepts are reviewed: mode coupling theory (MCT), entropy theory, free-volume theory, the idea of a growing length describing the size of cooperative regions, etc. Then, two basic coarse-grained models of polymers are described, which have been developed aiming at a test of these concepts. The first model is the bond-fluctuation model …