Search results for "Glass transition"

Aging Effects in a Lennard-Jones Glass

1997

Using molecular dynamics simulations we study the out of equilibrium dynamic correlations in a model glass-forming liquid. The system is quenched from a high temperature to a temperature below its glass transition temperature and the decay of the two-time intermediate scattering function C(t_w,t+t_w) is monitored for several values of the waiting time t_w after the quench. We find that C(t_w,t+t_w) shows a strong dependence on the waiting time, i.e. aging, depends on the temperature before the quench and, similar to the case of spin glasses, can be scaled onto a master curve.

Determination of the apparent activation energy of dielectric relaxation phenomena by means of the representation of ε” as a function of T at constan…

1984

Abstract The main purpose of this work is to justify the use of the positions of the maxima of e” versus T curves when calculating the apparent activation energy in secondary dielectric relaxations or in the relaxation associated with the glass transition. To exemplify this, phenomenological models as well as experimental results for methacrylic polymers are discussed.

Dynamics of Polymer Melts above the Glass Transition:  Monte Carlo Studies of the Bond Fluctuation Model

1997

The bond fluctuation model on the simple cubic lattice with a bond-length dependent potential energy favoring long bonds exhibits a glassy freezing in as the temperature is lowered, many properties being qualitatively similar to experiment. The present paper studies the dynamical properties of the model (as they result from the random hopping algorithm), using configurations of undercooled polymer melts that have been carefully equilibrated by the slithering snake algorithm. In this way quantitatively reliable data can be obtained for distinctly lower temperatures than in the previous work on the dynamics of this model that used the random hopping algorithm for equilibration as well. If var…

Structure and Dynamics of the Quasi-Liquid Layer at the Surface of Ice from Molecular Simulations

2018

We characterized the structural and dynamical properties of the quasi-liquid layer (QLL) at the surface of ice by molecular dynamics simulations with a thermodynamically consistent water model. Our simulations show that for three low-index ice surfaces only the outermost molecular layer presents short-range and mid-range disorder and is diffusive. The onset temperature for normal diffusion is much higher than the glass temperature of supercooled water, although the diffusivity of the QLL is higher than that of bulk water at the corresponding temperature. The underlying subsurface layers impose an ordered template, which produces a regular patterning of the ice/water interface at any tempera…

A contribution to the study of staling of white bread: effect of water and hydrocolloid

1996

Abstract Staling of white bread at ambient temperature was studied using differential scanning calorimetry and dynamic mechanical thermal analysis. During storage, sample hydration varied slightly, from 0 to 0.4% per day, depending on packaging conditions. An increase in rigidity was observed, which was attributed both to starch retrogradation and to changes in the organization of the amorphous part of crumb. The glass transition temperature of crumb was not significantly modified by these structural changes. Hydrocolloids did not affect the overall shape of the viscoelastic behavior of crumb in the temperature range from −40°C to 80°C, and had a limited influence on the kinetics of starch …

1981

Dynamic-mechanical and dielectric measurements have been performed with some polycarbonate samples. In one set of experiments care was taken to avoid any absorption of moisture. In other sets of experiments, samples were exposed to atmospheric humidity and to boiling water. The glass transition temperature was found to be highly affected by the absorption of water and by the test conditions. Dynamisch-mechanische und dielektrische Messungen wurden an Polycarbonatproben durchgefuhrt. In einer Versuchsserie wurde die Absorption von Wasser vollstandig vermieden, in weitern Versuchen wurden die Proben der Luftfeuchte bzw. kochendem Wasser ausgesetzt. Die Glasubergangstemperatur wurde durch das …

Hydrothermally resistant thermally reduced graphene oxide and multi-wall carbon nanotube based epoxy nanocomposites

2013

This study is focused on the investigation of thermo-mechanical properties of an epoxy resin filled with thermally reduced graphene oxide (TRGO) and multi-wall carbon nanotubes (MWCNT) after exposure of samples to hot distilled water. Addition of low contents of TRGO and MWCNTs greatly reduces the water sorption capacity of the epoxy polymer and improves its resistance to hydrothermal ageing. The glassy and rubbery moduli of the neat epoxy decreased for about 20% and 80%, respectively, while TRGO-based epoxy filled with 0.3 wt.% of TRGO showed only 6% reduction of both moduli. Hydrothermal ageing resulted in an enormous drop in the glass transition temperature (Tg) of the neat epoxy, by abo…

On the Glass Transition in Polymer Films: Recent Monte Carlo Results

1998

AbstractThis paper reports results of a Monte Carlo simulation for a simplified lattice modelof a supercooled polymer film. The film geometry is realized by two opposite hard walls.The distance between the walls is varied. The chains exhibit a strong tendency to orientparallel to the walls and are flattened when being very close to them. This deviation of thepolymer structure with respect to the bulk is accompanied by an acceleration of local densityfluctuations. On the other hand, the diffusion coefficient of a chain remains unaffected.

HAPPY Dyes as Light Amplification Media in Thin Films

2021

A series of 1Hamorphous tri-phenyl pyridine (HAPPY) dyes have been synthesized from luminescent triphenyl-group-containing 2-methyl-6-styryl-substituted-4H-pyran-4-ylidene derivatives in reactions with benzylamine and investigated for suitability as solution-processable light-emitting medium components in thin films for amplified spontaneous emission (ASE). Conversion of a 4H-pyrane ring into a 1H-pyridine fragment enables aggregation-induced emission enhancement (AIEE) behavior in the target products and slightly increases thermal stability, glass transition temperatures, and ASE efficiency with PLQY up to 15% and ASE thresholds as low as 46 μJ/cm2 in neat spin-cast films, although thermal…

Glass-forming non-symmetric bis-styryl-DWK-type dyes for infra-red radiation amplification systems

2019

Abstract A series of D-π-A type organic dyes with bulky triphenylmethyl moiety containing 2,6-bis-(4-substituted)styryl-4H-pyran-4-ylidene donor (D) fragments and different electron acceptors (A) were synthesized and investigated, mostly for potential applications in organic solid-state lasers as infra-red (IR) radiation amplification medium. Dye glass transition temperature is above 99 °C with thermal stability in the region from 173 °C to 326 °C which was slightly influenced by the electron acceptor fragment attached to the 4H-pyrane ring in 4-position. Introducing substituents in 4-position within one of the styryl-fragments with stronger electron withdrawing properties decreased ASE exc…