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Biomedical subjects

G Malescio

Publications and source records attributed to G Malescio.

14 recordsLinked to original sources

Generic mechanism for generating a liquid-liquid phase transition.

Recent experimental results indicate that phosphorus--a single-component system--can have a high-density liquid (HDL) and a low-density liquid (LDL) phase. A first-order transition between two liquids of different densities is consistent with experimental data for a variety of materials, including single-component systems such as water, silica and carbon. Molecular dynamics simulations of very specific models for supercooled water, liquid carbon and supercooled silica predict a LDL-HDL critical point, but a coherent and general interpretation of the LDL-HDL transition is lacking. Here we show that the presence of a LDL and a HDL can be directly related to an interaction potential with an attractive part and two characteristic short-range repulsive distances. This kind of interaction is common to other single-component materials in the liquid state (in particular, liquid metals), and such potentials are often used to describe systems that exhibit a density anomaly. However, our results show that the LDL and HDL phases can occur in systems with no density anomaly. Our results therefore present an experimental challenge to uncover a liquid-liquid transition in systems like liquid metals, regardless of the presence of a density anomaly.

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Simple fluids with complex phase behavior.

We find that a system of particles interacting through a simple isotropic potential with a softened core is able to exhibit a rich phase behavior including: a liquid-liquid transition in the supercooled phase, as has been suggested for water, a gas-liquid-liquid triple point, a freezing line with anomalous reentrant behavior. The essential ingredient leading to these features resides in the presence of two effective radii in the repulsive core. The potential investigated appears appropriate for a class of spherical polymeric micelles recently investigated.

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Structural stability of simple classical fluids: universal properties of the lyapunov-exponent measure

A threshold for the stability of the solution of integral equations for the pair correlation function of a classical fluid can be determined from the Floquet matrix for the iterative form of the integral equation. Correspondingly, a measure of the structural stability of the fluid, analogous to the Lindemann ratio for a solid, is provided by the Lyapunov exponent lambda that is related to the perturbed dynamics. The behavior of lambda as a function of density, temperature, interatomic potential, and closure relations for the integral equation, is analyzed and discussed. In analogy with the Lindemann parameter, we find-for the hypernetted-chain-type closures-that lambda(T/T(inst)) is "quasiuniversal," i.e., very weakly dependent on the interaction potential, up to a temperature T/T(inst) approximately 5, where T(inst) is the stability-threshold temperature. We show how this result connects the Lyapunov exponent measure of the pair structure with the equation of state of the fluid.

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Structural stability of simple fluids and accuracy of integral-equation theories

The ability to describe the structural stability of a fluid may represent a stringent test for the overall physical soundness of an integral-equation theory. The accuracy of some approximate closures of the Ornstein-Zernike equation is discussed in relation to the estimates of the density threshold of structural stability of the fluid that are obtained through an analysis of the iterative form of the integral equation. The connection with the random-close-packing threshold of hard spheres is also investigated.

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