Search results for "Mode coupling"
showing 10 items of 62 documents
Dynamics of a Supercooled Lennard-Jones System: Qualitative and Quantitative Tests of Mode-Coupling Theory
1996
We present the results of a molecular dynamics computer simulation of a supercooled binary Lennard-Jones mixture. By investigating the temperature dependence of the diffusion constant and of the intermediate scattering function, we show that the ideal version of the mode-coupling theory of the glass transition is able to give a good qualitative description of the dynamics of this system. Using the partial structure factors, as determined from the simulation, as input, we solve the mode-coupling equations in the long time limit. From the comparison of the prediction of the theory for the critical temperature, the exponent parameter, the wave-vector dependence of the nonergodicity parameters …
Glass transition in 1,4-polybutadiene: Mode-coupling theory analysis of molecular dynamics simulations using a chemically realistic model.
2006
We present molecular dynamics simulations of the glass transition in a chemically realistic model of 1,4-polybutadiene (PBD). Around 40 K above the calorimetric glass transition of this polymer the simulations reveal a well-developed two-stage relaxation of all correlation functions. We have analyzed the time-scale separation between vibrational degrees of freedom (subpicosecond dynamics) and the alpha relaxation behavior (nanosecond to microsecond dynamics) using the predictions of mode-coupling theory (MCT). Our value for the mode-coupling critical temperature Tc agrees perfectly with prior experimental estimates for PBD. The predictions of MCT for the scaling behavior of the so-called be…
Mössbauer investigations on glass-forming organic liquids
1992
Glycerol forms a molecular glass near 180K. Fe2+ dissolved in glycerol allows the study of the dynamics of the system by Mossbauer spectroscopy. Recently it has been shown that the Mossbauer spectra can be understood in a way consistent with the results of dielectric and ultrasonic viscoelastic relaxation measurements. A jump diffusion model of Sinqwi and Sjolander with a jump rate distribution according to Davidson and Cole allowed us to fit the Mossbauer spectra of Fe in glycerol. First attempts to compare mode coupling theory with Mossbauer spectra are reported.
Theory of modal attraction in bimodal birefringent optical fibers
2013
Nonlinear mode coupling among two beams of different wavelength that copropagate in a bimodal highly birefringent optical fiber may lead to the effect of modal attraction. Under such circumstances, the modal distribution of light at a pump wavelength is replicated at the signal wavelength, nearly irrespective of the input mode excitation conditions of the signal.
Test of molecular mode coupling theory for general rigid molecules
2000
We report recent progress on the test of mode coupling theory for molecular liquids (MMCT) for molecules of arbitrary shape. The MMCT equations in the long time limit are solved for supercooled water including all molecular degrees of freedom. In contrast to our earlier treatment of water as a linear molecule, we find that the glass-transition temperature ${T}_{c}$ is overestimated by the theory as was found in the case of simple liquids. The nonergodicity parameters are calculated from the ``full'' set of MMCT equations truncated at ${l}_{\mathrm{co}}=2.$ These results are compared (i) with the nonergodicity parameters from MMCT with ${l}_{\mathrm{co}}=2$ in the ``dipole'' approximation ${…
Relaxation and phonons in viscous and glassy orthoterphenyl by neutron scattering
1993
We present an extended set of incoherent neutron scattering measurements on the van der Waals liquido-terphenyl, obtained by time-of-flight and backscattering spectroscopy. In the supercooled liquid regime, data from three instruments are combined and analysed in terms of the selfcorrelationS(Q, t). In the time range 1...100 ps, the crossover from α-to β-relaxation is well described by the masterfunction of mode coupling theory, and fitted parameters are consistent with the previously established critical temperatureT c [Z. Phys. B83, 175 (1991)]. In the glassy regime, vibrations are harmonic and can be described by a density of states. Deviations at lowQ are quantitatively explained by a m…
Modified Mode Coupling Theory of Glassy Dynamics Generated by Entanglement
2004
Increasing the density in systems with strong excluded volume interactions leads simultaneously to an increase of static correlations and a slowing down of the relaxational dynamics. Mode coupling theory in its present form describes this mechanism, satisfactorily. In contrast, for systems where entanglement is dominant, e.g. infinitely thin hard rods on a lattice, glassy dynamics is not driven by increasing static correlations but by entanglement. We show how mode coupling approximation can be modified such that non-vanishing vertices occur which might account for such pure entanglement effects.
Microscopic theory for the glass transition in a system without static correlations
2002
We study the orientational dynamics of infinitely thin hard rods of length L, with the centers-of-mass fixed on a simple cubic lattice with lattice constant a.We approximate the influence of the surrounding rods onto dynamics of a pair of rods by introducing an effective rotational diffusion constant D(l),l=L/a. We get D(l) ~ [1-v(l)], where v(l) is given through an integral of a time-dependent torque-torque correlator of an isolated pair of rods. A glass transition occurs at l_c, if v(l_c)=1. We present a variational and a numerically exact evaluation of v(l).Close to l_c the diffusion constant decreases as D(l) ~ (l_c-l)^\gamma, with \gamma=1. Our approach predicts a glass transition in t…
Fluctuating hydrodynamics and diffusion in amorphous solids
1994
The fluctuating hydrodynamic description for an isotropic fluid is extended to include the displacement field u, reflecting the freezing of the local structures in an amorphous solid. The fluctuating nonlinear equations for the set of hydrodynamic variables including u has been obtained. The role of u is manifested through its longitudinal part, i.e., \ensuremath{\nabla}\ensuremath{\cdot}u, in terms of which we define the variable c(x,t). It refers to the diffusion of the free volume or vacancies, signifying configurational rearrangements in the amorphous solid. The analysis here shows that one recovers the earlier result obtained by Das and Mazenko [Phys. Rev. A 34, 2265 (1986)] for mode c…
Energy relaxation in a? 4 with long range interactions
1995
We investigate the influence of long range interactions on the relaxation behaviour of a lattice model with an on-site potential ofϕ 4-type and “infinite” range harmonic interactions. For finite number of particlesN, it is shown that the autocorrelation functions of the fluctuations of the one-particle energiesE n(t) decays exponentially. The corresponding relaxation time τ is proportional toN and is given by τ(T, N) =Nτ0(T). The temperature dependent time scale τ0 can explicitly be related to the dynamics of a one-particle correlator of the noninteracting system. The results are derived using Mori-Zwanzig projection formalism. The corresponding memory kernel is calculated within a mode cou…