Search results for "Supercooling"
showing 10 items of 127 documents
Simulations clarify when supercooled water freezes into glassy structures
2014
Although liquid water is a ubiquitous substance and its properties are crucial for all living species, the precise understanding of these properties is still a matter of active scientific research. One rather mysterious aspect concerns the conditions when undercooled water freezes not into ice crystals but into glass-like structures. Based on a rather novel type of computer simulation approach, in PNAS, Limmer and Chandler (1) propose a nonequilibrium phase diagram that attempts to clarify the conditions (temperature, pressure, cooling protocol) under which one should observe transitions from undercooled water to different forms of amorphous ice.
Nucleation and Collapse of the Superconducting Phase in Type-I Superconducting Films
2005
The phase transition between the intermediate and normal states in type-I superconducting films is investigated using magneto-optical imaging. Magnetic hysteresis with different transition fields for collapse and nucleation of superconducting domains is found. This is accompanied by topological hysteresis characterized by the collapse of circular domains and the appearance of lamellar domains. Magnetic hysteresis is shown to arise from supercooled and superheated states. Domain-shape instability resulting from long-range magnetic interaction accounts well for topological hysteresis. Connection with similar effects in systems with long-range magnetic interactions is emphasized.
Stringlike Cooperative Motion in a Supercooled Liquid
1998
Extensive molecular dynamics simulations are performed on a glass-forming Lennard-Jones mixture to determine the nature of the cooperative motions occurring in this model fragile liquid. We observe stringlike cooperative molecular motion (``strings'') at temperatures well above the glass transition. The mean length of the strings increases upon cooling, and the string length distribution is found to be nearly exponential.
Second inflection point of water surface tension in the deeply supercooled regime revealed by entropy anomaly and surface structure using molecular d…
2019
The surface tension of supercooled water is of fundamental importance in physical chemistry and materials and atmospheric sciences. Controversy, however, exists over its temperature dependence in the supercooled regime, especially on the existence of the second inflection point (SIP). Here, we use molecular dynamics simulations of the SPC/E water model to study the surface tension of water (sigma(w)) as a function of temperature down to 198.15 K, and find a minimum point of surface excess entropy per unit area around approximate to 240-250 K. Additional simulations with the TIP4P/2005 water model also show consistent results. Hence, we predict an SIP of sigma(w) roughly in this region, at t…
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 ${…
Response-theory for nonresonant hole burning: Stochastic dynamics
2001
Using non-linear response theory the time signals relevant for nonresonant spectral hole burning are calculated. The step-reponse function following the application of a high amplitude ac field (pump) and an intermediate waiting period is shown to be the sum of the equilibrium integrated response and a modification due to the preparation via ac irradiation. Both components are calculated for a class of stochastic dipole reorientation models. The results indicate that the method can be used for a clearcut distinction of homogeneously and heterogeneously broadened susceptibilities as they occur in the relaxation of supercooled liquids or other disordered materials. This is because only in the…
Dynamical heterogeneities in a supercooled Lennard-Jones liquid
1997
We present the results of a large scale molecular dynamics computer simulation study in which we investigate whether a supercooled Lennard-Jones liquid exhibits dynamical heterogeneities. We evaluate the non-Gaussian parameter for the self part of the van Hove correlation function and use it to identify ``mobile'' particles. We find that these particles form clusters whose size grows with decreasing temperature. We also find that the relaxation time of the mobile particles is significantly shorter than that of the bulk, and that this difference increases with decreasing temperature.
Cooperative motion and growing length scales in supercooled confined liquids
2002
Using molecular dynamics simulations we investigate the relaxation dynamics of a supercooled liquid close to a rough as well as close to a smooth wall. For the former situation the relaxation times increase strongly with decreasing distance from the wall whereas in the second case they strongly decrease. We use this dependence to extract various dynamical length scales and show that they grow with decreasing temperature. By calculating the frequency dependent average susceptibility of such confined systems we show that the experimental interpretation of such data is very difficult.
Strain pattern in supercooled liquids
2016
Investigations of strain correlations at the glass transition reveal unexpected phenomena. The shear strain fluctuations show an Eshelby-strain pattern ($\,\sim \cos{(4\theta)}/r^2\,$), characteristic for elastic response, even in liquids at long times [1]. We address this using a mode-coupling theory for the strain fluctuations in supercooled liquids and data from both, video microscopy of a two-dimensional colloidal glass former and simulations of Brownian hard disks. We show that long-ranged and long-lived strain-signatures follow a scaling law valid close to the glass transition. For large enough viscosities, the Eshelby-strain pattern is visible even on time scales longer than the stru…
Correlation of primary relaxations and high-frequency modes in supercooled liquids. I. Theoretical background of a nuclear magnetic resonance experim…
2006
The question regarding a possible correlation of the time scales of primary and secondary relaxations in supercooled liquids is formulated quantitatively. It is shown how this question can be answered using spin-lattice relaxation weighted stimulated-echo experiments, which are presented in an accompanying paper [A. Nowaczyk, B. Geil, G. Hinze, and R. Böhmer, Phys. Rev. E 74, 041505 (2006)]. General theoretical expressions relevant for the description of such experiments in the presence of correlation effects are derived. These expressions are analyzed by Monte Carlo integration for various correlation scenarios also including exchange processes, which are the hallmark of dynamical heteroge…