The fluctuation theory of homogeneous nucleation was applied for calculating the physical boundary of metastable states, the kinetic spinodal, in supercooled D2O and D2O1H2O mixtures. The kinetic spinodal in our approach is completely determined by the surface tension and equation of state of the supercooled liquid. We developed a crossover equation of state for supercooled D2O, which predicts ...

The authors present results from molecular dynamics simulations on the effect of smooth and rough probes on the dynamics of a supercooled Lennard-Jones (LJ) mixture. The probe diameter was systematically varied from one to seven times the diameter of the large particles of the LJ mixture. Mean square displacements show that in the presence of a large smooth probe the supercooled liquid speeds u...

Thermodynamics drive crystalline organic molecules to be crystallized at temperatures below their melting point. Even though molecules can form supercooled liquids by rapid cooling, crystalline organic materials readily undergo a phase transformation to an energetically favorable crystalline phase upon subsequent heat treatment. Opposite to this general observation, here, we report molecular de...

We propose deformations of inherent structures as a suitable tool for detecting structural changes underlying the onset of cooperativity in supercooled liquids. The non-affine displacement (NAD) field resulting from the applied deformation shows characteristic differences between the high temperature liquid and supercooled state, which are typically observed in dynamic quantities. The average m...

Be diffusivity data in the bulk metallic glass forming alloys Zr4i.2Ti13.sCu125Ni10Be22.s and Zr46.7Tis.3Cu75Ni10Bez7.s are reported for temperatures between 530K and 710K, extending up to SOK into the supercooled liquid states of the alloys. At the glass transition temperature, T g' a change in temperature dependence of the data is observed in both alloys, and above T g the diffusivity increas...

We probe the mechanical response of two supercooled liquids, glycerol and ortho-terphenyl, by conducting rheological experiments at very weak stresses. We find a complex fluid behavior suggesting the gradual emergence of an extended, delicate solid-like network in both materials in the supercooled state-i.e., above the glass transition. This network stiffens as it ages, and very early in this p...

Viscosity and enthalpy relaxation from the amorphous state into the supercooled liquid state was investigated in the bulk metallic glass forming Zr46.75Ti8.25Cu7.5Ni10Be27.5 alloy below the calorimetric glass transition. At different temperatures, the viscosities relax into states that obey the same Vogel–Fulcher–Tammann relation as the data obtained at higher temperatures in the supercooled li...

We rst review our recent simulation work on dynamic heterogeneity and supercooled liquid rheology. We then treat a supercooled polymer melt to study the stress relaxation function, transient stress evolution, shear-thinning, and elongation of chains.

The structure of the hydrogen bond network is a key element for understanding water's thermodynamic and kinetic anomalies. While ambient water is strongly believed to be a uniform, continuous hydrogen-bonded liquid, there is growing consensus that supercooled water is better described in terms of distinct domains with either a low-density ice-like structure or a high-density disordered one. We ...

Be diffusivity data in the bulk metallic glass forming alloy Zr46.7Ti8.3Cu7.5Ni10Be27.5 are reported for temperatures between 530 and 710 K, extending 85 K into the supercooled liquid state of the alloy. At the glass transition temperature Tg, a change in temperature dependence of the data is observed, and above Tg the diffusivity increases more quickly with temperature than below. The data in ...