Related papers: Pressure-Temperature Phase Diagram and $\lambda$-T…
We present results from Molecular Dynamics simulations of the thermal glass transition in a dense polymer melt. In previous work we compared the simulation data with the idealized version of mode coupling theory (MCT) and found that the…
Molecular dynamics simulations are used to model ion and neutral temperature evolution in partially-ionized atmospheric pressure plasma at different ionization fractions. Results show that ion-ion interactions are strongly coupled at…
We report on the development of some process capabilities for a polymer-based, multi-layer microelectrofluidic platform, namely: the hot embossing process, metallization on polymer and polymer bonding. Hot embossing experiments were…
The melting-like transition in potasium clusters K_N, with N=20, 55, 92 and 142, is studied by using an orbital-free density-functional constant-energy molecular dynamics simulation method, and compared to previous theoretical results on…
The fluorite to pyrochlore phase transition in La2Zr2O7 has been studied in the literature for decades in the context of thermal barrier coatings and reinforcement materials. However, the nature of the phase transition in this system is…
A novel liquid-liquid phase transition has been proposed and investigated in a wide variety of pure substances recently, including water, silica and silicon. From computer simulations using the Stillinger-Weber classical empirical…
The existence of a 'crossover region' in glass-forming liquids has long been considered as a general phenomenon that is as important as the glass transition. One potential origin for the crossover behavior is a liquid-to-liquid phase…
The high-pressure behaviour of PbS was investigated by angular dispersive X-ray powder diffraction up to pressures of 6.8 GPa. Experiments were accompanied by first principles calculations at the density functional theory level. By…
Sulfur intercalated graphite composites with diamagnetic transitions at 6.7 K and 37 K are prepared. The magnetization hysteresis loops (MHL), Xray diffraction patterns, and resistance were measured. From the MHL, a slight superconducting…
We consider scaling of the mean square dipole moments in a plasma with logarithmic interactions in a two- and three-dimensional system. In both cases, we establish the existence of a low-temperature regime where the mean square dipole…
The behavior of a particle in a solvent has been framed using stochastic dynamics since the early theory of Kramers. A particle in a chemical reaction reacts slower in a diluted solvent because of the lack of energy transfer via collisions.…
We have demonstrated the effect of pressure on the steplike metamagnetic transition and its associated magnetostriction in (Eu$_{1-x}$Gd$_{x}$)$_{0.6}$Sr$_{0.4}$MnO$_{3}$ ($x=0$ and 0.1). The critical field initiating the field induced…
A liquid can form under cooling a glassy state either as a result of a continuous slowing down or by a first order polyamorphous phase transition. The second scenario has so far always been observed below the melting point where it…
Capitani and coworkers [1] reported that infrared optical reflectance measurements provided evidence for a superconducting transition in sulfur hydride [2] under 150 GPa pressure, and that the transition is driven by the electron-phonon…
A system with equal number of positive and negative charges confined in a box with a small but finite thickness is modeled as a function of temperature using mesoscale numerical simulations, for various values of the charges. The Coulomb…
We study the phase diagram of calcium fluoride (CaF2) under pressure using classical molecular dynamic simulations performed with a simple pairwise interatomic potential of the Born-Mayer-Huggings form. Our results obtained under conditions…
Among numerous challenges to meet the rising global energy demand in a sustainable manner, improving phase change heat transfer has been at the forefront of engineering research for decades. The high heat transfer rates associated with…
We study the equilibrium arrangements of polarization vortices in (PbTiO$_3$)$_n$/(SrTiO$_3$)$_n$ superlattices by means of second-principles simulations. We find that, at low temperatures, polarization vortices organize in a regular…
Much progress has been made over a long period, spanning more than a century, in understanding the atomic arrangement on various length scales of noncrystalline chalcogens and their transitions upon certain external stimuli. However, it is…
We numerically examine the properties of a two-dimensional system of particles which have competing long range repulsive and short range attractive interactions as a function of density and temperature. For increasing density, there are…