Related papers: Self-Sputtering of the Lennard-Jones Crystal
It was recently shown that vapor-liquid coexistence densities derived from Mie and Yukawa models collapse to define a single master curve when represented against the difference between the reduced second virial coefficient at the…
At low temperature, T -> 0, the yield stress of a perfect crystal is equal to its so called theoretical strength. The yield stress of non-perfect crystals is controlled by the stress threshold of dislocation mobility. A non-crystalline…
The crucial problem for better understanding the nature of glass transition and related relaxation phenomena is to find proper interrelations between molecular dynamics and thermodynamics of viscous systems. To gain this aim the recently…
The interfacial free energy is a central quantity in crystallization from the meta-stable melt. In suspensions of charged colloidal spheres, nucleation and growth kinetics can be accurately measured from optical experiments. In previous…
The phase diagram of the prototypical two-dimensional Lennard-Jones system, while extensively investigated, is still debated. In particular, there are controversial results in the literature as concern the existence of the hexatic phase and…
A long standing postulate in crystal plasticity of metals is that yielding commences once the resolved shear stress on a slip plane reaches a critical value. This assumption, known as Schmid law, implies that the onset of plasticity is…
Recently, it has been shown that the generalized symmetric Woods-Saxon potential energy, in which surface interaction terms are taken into account, describes the physical processes better than the standard form. Therefore in this study, we…
The simplest Lorentz-nonreciprocal medium has the constitutive relations (${\bf D} =\epso {\bf E} -{\bf \Gamma}\times {\bf H}$ and ${\bf B} =\muo {\bf H} + {\bf \Gamma}\times{\bf E}$). Scattering by a three-dimensional object composed of…
We investigate disruptive collisions of aggregates comprised of particles with different interaction potentials. We study Lennard-Jones (L-J), Tersoff, modified L-J potential and the one associated with Johnson-Kendall-Roberts (JKR) model.…
A nonrelativistic quantum mechanical particle moving freely on a curved surface feels the effect of the nontrivial geometry of the surface through the kinetic part of the Hamiltonian, which is proportional to the Laplace-Beltrami operator,…
A fast, parallel algorithm for distant-dependent calculation and simulation of crystal properties is presented along with speedup results and methods of application. An illustrative example is used to compute the Lennard-Jones lattice…
The scattering of polarized light incident from one dielectric medium on its two-dimensional randomly rough interface with a second dielectric medium is studied. A reduced Rayleigh equation for the scattering amplitudes is derived for the…
A crystalline solid exhibits thermally induced localised {\em non-affine} droplets in the absence of external stress. Here we show that upon an imposed shear, the size of these droplets grow until they percolate at a critical strain, well…
In this work, the effects of the scattering angle on the nonexponentiality of the normalized time auto-correlation function of the scattered light intensity $g^{(2)}(\tau) $ are investigated using dilute Poly($N$-isopropylacrylamide)…
In a recent article, Wang et al (Phys. Chem. Chem. Phys., 22, 10624 (2020)) introduced a new class of interparticle potential for molecular simulations. The potential is defined by a single range parameter, eliminating the need to decide…
The recent works by the present authors predicted that the real part of heavy-ion optical potentials changes its character from attraction to repulsion around the incident energy per nucleon E/A = 200 - 300 MeV on the basis of the complex…
Quantum theory is proposed of high energy electrons scattering in ultrathin crystals. This theory is based upon a special representation of the scattering amplitude in the form of the integral over the surface surrounding the crystal, and…
We propose a simplified version of self-interaction corrected local spin-density (SIC-LSD) approximation, based on multiple scattering theory, which implements self-interaction correction locally, within the KKR method. The multiple…
Framing the glass formation within standard statistical mechanics is an outstanding problem of condensed matter theory. To provide new insight, we investigate the structural properties of the Lennard-Jones fluid in the very-low temperature…
We present a Molecular Dynamics study of large Lennard-Jones clusters evolving on a crystalline surface. The static and the dynamic properties of the cluster are described. We find that large clusters can diffuse rapidly, as experimentally…