Search results for "Supercooling"
showing 10 items of 127 documents
Metastability and hysteresis of the vortex states in rotating superfluid3He-B
1996
We have investigated the vortex core transition in 3He-B by measuring the associated changes in mutual friction dissipation within the superfluid. If rotation is continuously stopped and restarted while cooling or warming then the transition occurs at a clearly defined temperature, but temperature sweeps during continuous rotation show substantial supercooling and superheating. Moreover, the high temperature vortex shows a continuum of metastable states when supercooled to a constant, arbitrary low temperature, the mutual friction dissipaton depending on the temperature at which rotation was started. Our current interpretation is that the high temperature vortex state is a temperature-depen…
The relaxation dynamics of a supercooled liquid confined by rough walls
2004
We present the results of molecular dynamics computer simulations of a binary Lennard-Jones liquid confined between two parallel rough walls. These walls are realized by frozen amorphous configurations of the same liquid and therefore the structural properties of the confined fluid are identical to the ones of the bulk system. Hence this setup allows us to study how the relaxation dynamics is affected by the pure effect of confinement, i.e. if structural changes are completely avoided. We find that the local relaxation dynamics is a strong function of z, the distance of the particles from the wall, and that close to the surface the typical relaxation times are orders of magnitude larger tha…
Static and dynamical properties of a supercooled liquid confined in a pore
2000
We present the results of a Molecular Dynamics computer simulation of a binary Lennard-Jones liquid confined in a narrow pore. The surface of the pore has an amorphous structure similar to that of the confined liquid. We find that the static properties of the liquid are not affected by the confinement, while the dynamics changes dramatically. By investigating the time and temperature dependence of the intermediate scattering function we show that the dynamics of the particles close to the center of the tube is similar to the one in the bulk, whereas the characteristic relaxation time tau_q(T,rho) of the intermediate scattering function at wavevector q and distance rho from the axis of the p…
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…
Protein dynamical transition vs. liquid-liquid phase transition in protein hydration water
2013
In this work, we compare experimental data on myoglobin hydrated powders from elastic neutron scattering, broadband dielectric spectroscopy, and differential scanning calorimetry. Our aim is to obtain new insights on the connection between the protein dynamical transition, a fundamental phenomenon observed in proteins whose physical origin is highly debated, and the liquid-liquid phase transition (LLPT) possibly occurring in protein hydration water and related to the existence of a low temperature critical point in supercooled water. Our results provide a consistent thermodynamic/dynamic description which gives experimental support to the LLPT hypothesis and further reveals how fundamental …
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.
Theory of nucleation and crystal growth of polymers in concentrated solutions
1974
ABSTRACT The process of crystallization in concentrated solutions depends strongly on the rate of crystallization and the rate of long range diffusion of the polymer chains. If the crystallization proceeds slowly compared to diffusion, this type of crystal nucleus will be formed for which the free energy of nucleation is smallest. By taking into account entropy effects which are characteristic for chain molecules one can show that the crystal with smallest free energy of nucleation is a crystal with almost regular chain folds on the surfaces. The influence of supercooling, concentration and molecular weight on the thickness and growth rate of such crystals is discussed. If the crystallizati…
Molecular dynamics of supercooled polymer films
2000
We present results of molecular dynamics simulations for a supercooled polymer melt confined between two smooth and purely repulsive walls. The thickness D of the film is about 7 times the bulk radius of gyration. For all temperatures studied, a significant increase of the monomer and chain mobilities with respect to the bulk is observed. Preliminary results suggest that structural relaxation times exhibit a power-law behavior in the vicinity of a critical temperature T c (D) 0.39 (in Lennard-Jones units). This estimate of T c (D) is about 14% smaller than the corresponding bulk value. Despite this significant decrease the time dependence of various mean-square displacements seems to be una…
Role of residual water hydrogen bonding in sugar/water/biomolecule systems: a possible explanation fortrehalose peculiarity
2007
We report on the set of experimental and simulative evidences which enabled us to suggest how biological structures embedded in a non-liquid water–saccharide solvent are anchored to the surrounding matrix via a hydrogen bond network. Such a network, whose rigidity increases by decreasing the sample water content, couples the degrees of freedom of the biostructure to those of the matrix and gives place to protein–saccharide–water structures (protein–solvent conformational substates). In particular, the whole set of data evidences that, while the protein–sugar interaction is well described in terms of a water entrapment hypothesis, the water replacement hypothesis better describes the sugar–m…
Polymer Films in the Normal-Liquid and Supercooled State: A Review of Recent Monte Carlo Simulation Results
2000
This paper reviews recent Monte Carlo simulation studies of the glassy behavior in thin polymer films. The simulations employ a version of the bond-fluctuation lattice model, in which the glass transition is driven by the competition between a stiffening of the polymers and their dense packing in the melt. The melt is geometrically confined between two impenetrable walls separated by distances ranging from once to about fifteen times the bulk radius of gyration. The confinement influences static and dynamic properties of the films: Chains close to the wall preferentially orient parallel to it. This orientation tendency propagates through the film and leads to a layer structure at low temper…