Related papers: Crystallization of the Kob-Andersen binary Lennard…
We simulate the compression of a two-component Lennard-Jones liquid at a variety of constant temperatures using a molecular dynamics algorithm in an isobaric-isothermal ensemble. The viscosity of the liquid increases with pressure,…
Attempts to grow terbium aluminium garnet (Tb3Al5O12, TAG) by the Czochralski method lead to crystals of millimeter scale. Larger crystals could not be obtained. DTA measurements within the binary system showed that TAG melts incongruently…
Notwithstanding decades of work, we still lack a satisfactory understanding of the structural relaxation that takes place as a liquid is rapidly cooled to form a glass. The present paper discusses a novel statistical characterization of…
We investigate the finite-temperature phase diagram of polar molecules confined in a quasi-two-dimensional geometry by a harmonic potential along the polarization axis. We employ Quantum Monte Carlo simulations to explore the strongly…
We use molecular dynamics computer simulations to investigate the relaxation dynamics of a binary Lennard-Jones liquid confined in a narrow pore. We find that the average dynamics is strongly influenced by the confinement in that time…
If star formation proceeds by thermal fragmentation and the subsequent gravitational collapse of the individual fragments, how is it possible to form fragments massive enough for O and B stars in a typical star-forming molecular cloud where…
We use numerical simulations to study the crystallization of monodisperse systems of hard aspherical particles. We find that particle shape and crystallizability can be easily related to each other when particles are characterized in terms…
Diatomic nitrogen is an archetypal molecular system known for its exceptional stability and complex behavior at high pressures and temperatures, including rich solid polymorphism, formation of energetic states, and an insulator-to-metal…
The crystallization process and the magnetization of Cr diluted CoFeB was investigated in both ribbon samples and thin film samples with Cr content up to 30 at. %. A primary crystallization of bcc phase from an amorphous precursor in ribbon…
We study the coalescence of nanoscale metal clusters in an inert-gas atmosphere using constant-energy molecular dynamics. The coalescence proceeds via atomic diffusion with the release of surface energy raising the temperature. If the…
The formation and dissolution of a droplet is an important mechanism related to various nucleation phenomena. Here, we address the droplet formation-dissolution transition in a two-dimensional Lennard-Jones gas to demonstrate a consistent…
For diatomic molecules and chains bound anharmonically by interactions such a the Lennard Jones and Morse potentials, we obtain analytical expressions for thermodynamic observables including the mean bond length, thermally averaged internal…
We simulate a strongly size-disperse hard-sphere fluid confined between two parallel, hard walls. We find that confinement induces crystallization into n-layered hexagonal lattices and a novel honeycomb-shaped structure, facilitated by…
Results for the kinetics of vapor-liquid transitions, following temperature quenches with different densities, are presented from the molecular dynamics simulations of a Lennard-Jones system. For critical density, bicontinuous liquid and…
The argon content of titanium dioxide doped tantalum pentoxide thin films was quantified in a spatially resolved way using HAADF images and DualEELS. Films annealed at 300$^{\circ}$C, 400$^{\circ}$C and 600$^{\circ}$C were investigated to…
Condensation is characterized with a single macroscopic condensate whose mass is proportional to a system size $N$. We demonstrate how important particle interactions are in condensation phenomena. We study a modified version of the…
We present a path-integral Monte Carlo study of dissociation in dense hydrogen ($1.75 \leq r_s \leq 2.2$, with $r_s$ the Wigner sphere radius). As temperature is lowered from $10^5$ to 5000 K, a molecular hydrogen gas forms spontaneously…
Initial conditions for star formation in clusters are estimated for protostars whose masses follow the initial mass function (IMF) from 0.05 to 10 solar masses. Star-forming infall is assumed equally likely to stop at any moment, due to gas…
Chiral active matter is a variant of active matter systems in which the motion of the constituent particles violates mirror symmetry. In this letter, we simulate two-dimensional chiral Active Brownian Particles, the simplest chiral model in…
Using the activation-relaxation technique (ART), we study the nature of relaxation events in a binary Lennard-Jones system above and below the glass transition temperature (T_g). ART generates trajectories with almost identical efficiency…