Related papers: Insight into liquid polymorphism from the complex …
Novel experimental and computational studies have uncovered the proton momentum distribution in hydrogen bonded systems. In this work, we utilize recently developed open path integral Car-Parrinello molecular dynamics methodology in order…
We present simulation results addressing the dynamics of a colloidal system with attractive interactions close to gelation. Our interaction also has a soft, long range repulsive barrier which suppresses liquid-gas type phase separation at…
The preferential formation of one solid over the other, as it precipitates out from the melt at specific temperatures, is often explained by invoking a competition between thermodynamic and kinetic control. A quantitative theory, however,…
Hydrogen exhibits unusual behaviors at megabar pressures, with consequences for planetary science, condensed matter physics and materials science. Experiments at such extreme conditions are challenging, often resulting in hard-to-interpret…
We consider both equilibrium and kinetic aspects of the phase separation (``thermal faceting") of thermodynamically unstable crystal surfaces into a hill--valley structure. The model we study is an Ising lattice gas for a simple cubic…
We show that soft spheres interacting with a linear ramp potential when overcompressed beyond the jamming point fall in an amorphous solid phase which is critical, mechanically marginally stable and share many features with the jamming…
The hydrogen phase diagram has a number of unusual features which are generally well reproduced by density functional calculations. Unfortunately, these calculations fail to provide good physical insights into why those features occur. In…
We map the high-pressure phase diagram of nitrogen hydrate up to 16 GPa at room temperature by combining neutron diffraction, Raman spectroscopy, and crystal structure prediction. We reveal a rich sequence of structural transformations,…
Experiments and computer simulations of the transformations of amorphous ices display different behavior depending on sample preparation methods, and on the rates of change of temperature and pressure to which samples are subjected. In…
Using Monte Carlo simulations we investigate some new aspects of the phase diagram and the behavior of the diffusion coefficient in an associating lattice gas (ALG) model on different regions of the phase diagram. The ALG model combines a…
Finite systems in confining potentials are known to undergo structural transitions similar to phase transitions. However, these systems are inhomogeneous, and their "melting" point may depend on the position in the trap and vary with the…
The postulate of the existence of a jamming phase diagram (Liu and Nagel, Nature 396, 21 EP (1998aa)) provides a theoretical basis for the classification of a wide range of amorphous solids (colloidal, molecular and emulsion glasses,…
Fluids in which the interparticle potential has a hard core, is attractive at moderate separations, and repulsive at greater separations are known to exhibit novel phase behavior, including stable inhomogeneous phases. Here we report a…
The Fermi liquid-Wigner crystal transition in a two dimensional electronic system is revisited with a focus on the nature of the fixed node approximation done in quantum Monte Carlo calculations. Recently, we proposed (Phys. Rev. Lett. 94,…
We investigate the liquid state structure of the two-dimensional (2D) model introduced by Barkan et al. [Phys. Rev. Lett. 113, 098304 (2014)], which exhibits quasicrystalline and other unusual solid phases, focussing on the radial…
Various Monte Carlo techniques are used to determine the complete phase diagrams of the square well model for the attractive ranges $\lambda = 1.15$ and $\lambda = 1.25$. The results for the latter case are in agreement with earlier Monte…
We perform Langevin dynamics simulations and use polygon construction method to investigate two-dimensional (2D) melting and freezing transitions in many-particle Yukawa systems. 2D melting transitions can be characterized as proliferation…
We investigated the dynamics of highly turbulent thermally driven anabatic (upslope) flow on a physical model inside a large water tank using particle image velocimetry (PIV) and a thermocouple grid. The results showed that the flow…
We study the dynamics of particles in a multi-component 2d Lennard-Jones (LJ) fluid in the limiting case where {\it all the particles are different} (APD). The equilibrium properties of this APD system were studied in our earlier work…
The free energy landscape responsible for crystallization can be complex even for relatively simple systems like hard sphere and charged stabilized colloids. In this work, using hard-core repulsive Yukawa model, which is known to show…