Search results for "Time–temperature superposition"
showing 9 items of 9 documents
Testing mode-coupling theory for a supercooled binary Lennard-Jones mixture
1995
Abstract We have performed a molecular dynamics computer simulation study to investigate the dynamical behavior of a supercooled simple liquid for comparison with the predictions of mode-coupling theory (MCT). By scaling the intermediate scattering function by the α-relaxation time r we find that the correlators fall onto a master curve extending over several decades in time. Thus we find that the time temperature superposition principle holds. In the late β-relaxation regime this master curve can be fitted very well by a master curve predicted by the idealized version MCT. However, there is no evidence for the presence of the critical decay predicted by the theory for the early part of the…
Nanoscale mechanical characterization of polymers by atomic force microscopy (AFM) nanoindentations: viscoelastic characterization of a model material
2009
The atomic force microscope (AFM), apart from its conventional use as a microscope, is also used for the characterization of the local mechanical properties of polymers. In fact, the elastic characterization of purely elastic materials using this instrument can be considered as a well-assessed technique while the characterization of the viscoelastic mechanical properties remains the challenge. In particular, one finds the mechanical behavior changing when performing indentations at different loading rates, i.e. on different time scales. Moreover, this apparent viscoelastic behavior can also be due to complex contact mechanics phenomena, with the onset of plasticity and long-term viscoelasti…
Monte Carlo modelling of the polymer glass transition
1993
We are proposing a lattice model with chemical input for the computer modelling of the polymer glass transition. The chemical input information is obtained by a coarse graining procedure applied to a microscopic model with full chemical detail. We use this information on Bisphenol-A-Polycarbonate to predict it's Vogel-Fulcher temperature out of a dynamic Monte Carlo Simulation. The microscopic structure of the lattice model is that of a genuine amorphous material, and the structural relaxation obeys the time temperature superposition.
The relaxation dynamics of a viscous silica melt: II The intermediate scattering functions
2001
We use molecular dynamics computer simulations to study the relaxation dynamics of a viscous melt of silica. The coherent and incoherent intermediate scattering functions, F_d(q,t) and F_s(q,t), show a crossover from a nearly exponential decay at high temperatures to a two-step relaxation at low temperatures. Close to the critical temperature of mode-coupling theory (MCT) the correlators obey in the alpha-regime the time temperature superposition principle (TTSP) and show a weak stretching. We determine the wave-vector dependence of the stretching parameter and find that for F_d(q,t) it shows oscillations which are in phase with the static structure factor. The temperature dependence of the…
What can be learned from the rotational motion of single molecules in a polymer melt near the glass transition?
2007
We develop a framework for the interpretation of single-molecule (SM) spectroscopy experiments of probe dynamics in a complex glass-forming system. Specifically, from molecular dynamics simulations of a single probe molecule in a coarse-grained model of a polymer melt, we show the emergence of sudden large angular reorientations (SLARs) of the SM as the mode coupling critical temperature is closely approached. The large angular jumps are intimately related to meta-basin transitions in the potential energy landscape of the investigated system and cause the appearance of stretched exponential relaxations of various rotational observables, reported in the SM literature as dynamic heterogeneity…
Dynamics of a Supercooled Lennard-Jones System: Qualitative and Quantitative Tests of Mode-Coupling Theory
1997
Using a molecular dynamics computer simulation we investigate the dynamics of a supercooled binary Lennard-Jones mixture. At low temperatures this dynamics can be described very well by the ideal version of mode-coupling theory. In particular we find that at low temperatures the diffusion constants show a power-law behavior, that the intermediate scattering functions obey the time temperature superposition principle, and that the various relaxation times show a power-law behavior. By solving the wave-vector dependent mode-coupling equations we demonstrate that the prediction of the theory for the wave-vector dependence of the nonergodicity parameters and the r-dependence of the critical amp…
Application of time-temperature superposition to energy limit of linear viscoelastic behavior
2009
The energy approach for evaluation of the limits of linear viscoelastic (LVE) behavior is considered. The approach of Foux and Bruller based on the Reiner-Weissenberg dynamic theory of strength is developed for the temperature effect. Value of the stored energy at the limit of LVE is considered as the material characteristic independent on loading conditions and temperature. Time–temperature superposition principle is extended for the energy calculations. Curves of the stored energy calculated for different temperatures are shifted to each other in the logarithmic time axes similarly as creep compliance and relaxation modulus curves in creep and tension tests, respectively. Temperature is c…
Evidence for the time-temperature superposition principle from Monte-Carlo simulations of the glass transition in two-dimensional polymer melts
1992
The bond fluctuation model on a square lattice with a bond-length dependent potential exhibits in simulations of slow cooling a kinetic glass transition where the system falls out of equilibrium. Extending previous work, the relaxation functions of gyration radius and end-to-end distance, and the bond autocorrelation function of the polymers are presented and related to the time-dependent displacements of inner monomeric units and center of gravity of the whole chains, respectively. Over a wide temperature range the data can be collapsed on master curves satisfying the time-temperature superposition principle for Rouse dynamics.
Fractional viscoelastic behaviour under stochastic temperature process
2018
Abstract This paper deals with the mechanical behaviour of a linear viscoelastic material modelled by a fractional Maxwell model and subject to a Gaussian stochastic temperature process. Two methods are introduced to evaluate the response in terms of strain of a material under a deterministic stress and subjected to a varying temperature. In the first approach the response is determined making the material parameters change at each time step, due to the temperature variation. The second method, takes advantage of the Time–Temperature Superposition Principle to lighten the calculations. In this regard, a stochastic characterisation for the Time–Temperature Superposition Principle method is p…