Related papers: Density minimum and liquid-liquid phase transition
We study the spin-$1/2$ Heisenberg model on the triangular lattice with the antiferromagnetic first ($J_1$) and second ($J_2$) nearest-neighbor interactions using density matrix renormalization group. By studying the spin correlation…
Molecular dynamics simulations are used to generate an ensemble of saddles of the potential energy of a Lennard-Jones liquid. Classifying all extrema by their potential energy u and number of unstable directions k, a well defined relation…
We present a review on the study of metastable silicon, primarily focusing mainly on the aspects of liquid-liquid transition, critical point and phase behaviour, structural and dynamic properties of liquid phase as well as crystal…
Much attention has been devoted to understanding the microscopic pathways of phase transition between two equilibrium condensed phases (such as liquids and solids). However, the microscopic pathways between non-equilibrium, non-diffusive…
We use molecular dynamics simulations in two dimensions to investigate the possibility that a core-softened potential can reproduce static and dynamic anomalies found experimentally in liquid water: (i) the increase in specific volume upon…
Liquid crystals in two dimensions do not support long-ranged nematic order, but a quasi-nematic phase where the orientational correlations decay algebraically is possible. The transition from the isotropic to the quasi-nematic phase can be…
We consider the novel properties of the Stell-Hemmer core-softened potentials. First we explore how the theoretically predicted second critical point for these potentials is related to the occurrence of the experimentally observed…
This paper summarizes a talk presented at the April NATO ASI on Spatiotemporal Chaos in Complex Fluids, in Santa Fe, NM. The paper gives reasons that make complex fluids good material systems for conducting experiments on pattern formation…
It is commonly believed that the transition line separating a liquid and a solid cannot be interrupted by a critical point. This opinion is based on the traditional symmetry argument that an isotropic liquid cannot be continuously…
We study the spin-$1/2$ two-dimensional Shastry-Sutherland spin model by exact diagonalization of clusters with periodic boundary conditions. We develop an improved level spectroscopic technique using energy gaps between states with…
We study a model for water with a tunable intra-molecular interaction $J_\sigma$, using mean field theory and off-lattice Monte Carlo simulations. For all $J_\sigma\geq 0$, the model displays a temperature of maximum density.For a finite…
The phase behavior of fluids near weakly attractive substrates is studied by computer simulations of the coexistence curve of a Lennard-Jones (LJ) fluid confined in a slitlike pore. The temperature dependence of the density profiles of the…
In this work, we investigate the Bell-Lavis model using entropic simulations for several values of the energy parameters. The $T\times\mu$ phase diagram and the ground state configurations are analyzed thoroughly. Besides, we examine the…
We study a very simple model of a short-range attraction and an outer shell repulsion as a test system for demixing phase transition and density anomaly. The phase-diagram is obtained by applying mean field analysis and Monte Carlo…
We propose a unified model combining the first-order liquid-liquid and the second-order ferroelectric phase transitions models and explaining various features of the $\lambda$-point of liquid water within a single theoretical framework. It…
This paper extends our earlier studies of free energy functions of density and crystalline order parameters for models of supercooled water, which allows us to examine the possibility of two distinct metastable liquid phases [J. Chem. Phys.…
Typical Hamiltonian liquids display exponential "Lyapunov instability", also called "sensitive dependence on initial conditions". Although Hamilton's equations are thoroughly time-reversible, the forward and backward Lyapunov instabilities…
Within the framework of density functional theory, the inclusion of exact exchange and non-local van der Waals/dispersion (vdW) interactions is crucial for predicting a microscopic structure of ambient liquid water that quantitatively…
A molecular theory of liquid water is identified and studied on the basis of computer simulation of the TIP3P model of liquid water. This theory would be exact for models of liquid water in which the intermolecular interactions vanish…
We numerically study the Heisenberg models on triangular lattices by extending it from the simplest equilateral lattice with only the nearest-neighbor exchange interaction. We show that, by including an additional weak next-nearest-neighbor…