Related papers: Quantum molecular dynamics simulations of lithium …
The machine-learning techniques have shown their capability for studying phase transitions in condensed matter physics. Here, we employ the machine-learning techniques to study the nuclear liquid-gas phase transition. We adopt an…
The rate of melting of a solid and the rate of deformation of the resulting melt due to capillary forces are comparable in additive manufacturing applications. This dynamic structural change of a melting solid is extremely challenging to…
Glass-to-glass and liquid-to-liquid phase transitions are observed in bulk and confined water, with or without applied pressure. They result from the competition of two liquid phases separated by an enthalpy difference depending on…
We study the exciton gas-liquid transition in GaAs/AlGaAs coupled quantum wells. Below a critical temperature, Tc=4.8K, and above a threshold laser power density the system undergoes a phase transition into a liquid state. We determine the…
Our understanding of the three basic states of matter (solids, liquids and gases) is based on temperature and pressure phase diagrams with three phase transition lines: solid-gas, liquid-gas and solid-liquid lines. There are analytical…
We study the nature of the glass transition by cooling model atomistic glass formers at constant rate from a temperature above the onset of glassy dynamics to $T=0$. Motivated by the East model, a kinetically constrained lattice model with…
We have imaged lithium-6 thousands of times in an optical tweezer using $\Lambda$-enhanced gray molasses cooling light. Despite being the lightest alkali, with a recoil temperature of 3.5 $\mu$K, we achieve an imaging survival of…
Melting of 3D solids is often preceded by a melting of their surface, a distinct process which begins at a temperature lower than the melting temperature. Until now, surface melting was investigated mostly by diffraction or other…
We present theoretical and experimental studies of superconductivity and low temperature structural phase boundaries in lithium. We mapped the structural phase diagram of 6Li and 7Li under hydrostatic conditions between 5 top 55GPa and…
Using a large scale molecular dynamics computer simulation we investigate the dynamics of a supercooled melt of SiO_2. We find that with increasing temperature the temperature dependence of the diffusion constants crosses over from an…
We have investigated the melting behavior of ultra-thin copper nanowires using classical molecular dynamics simulations. The caloric curves of cylindrical multi-shell copper nanowires showed an insight into the specific phase transition.…
Model interaction potentials for real materials are generally optimized with respect to only those experimental properties that are easily evaluated as mechanical averages (e.g., elastic constants (at T=0 K), static lattice energies and…
Density functional molecular dynamical simulations have been performed on Ga$_{17}$ and Ga$_{13}$ clusters to understand the recently observed higher-than-bulk melting temperatures in small gallium clusters [Breaux {\em et al.}, Phys. Rev.…
In this paper we use London Langevin molecular dynamics simulations to investigate the vortex matter melting transition in the highly anisotropic high-temperature superconductor material Bi_2Sr_2CaCu_2O$_{8+\delta}$ in the presence of low…
Quantum molecular dynamic (QMD) simulations are introduced to study the thermophysical properties of liquid deuterium under shock compression. The principal Hugoniot is determined from the equation of states, where contributions from…
We report a molecular dynamics study of liquid cesium at ambient pressure intended to check the possibility of liquid-liquid phase transformation at $T=590$ K. We find the presence of small kinks on thermodynamic characteristics of the…
In the framework of melting as a dislocation-mediated phase transition we derive an equation for the pressure dependence of the melting temperatures of the elements valid up to pressures of order their ambient bulk moduli. Melting curves…
Vibrational properties of solids are key to determining stability, response and functionality. However, they are challenging to computationally predict at Ab-Initio accuracy, even for elemental systems. Ab-Initio methods for modeling atomic…
Using the isothermal molecular dynamics (MD), coalescence/sintering of Au nanoparticles (NPs) was simulated by employing the Nose-Hoover thermostat. The MD simulation was realized by using the well-known open program LAMMPS, its version for…
A molecular dynamics simulation is performed for a supercooled liquid of rigid diatomic molecules. The time-dependent self and collective density correlators of the molecular centers of mass are determined and compared with the predictions…