We investigate numerically the structure, thermodynamics, and relaxation behavior of a family of (n, 6) Lennard-Jones-like glass-forming binary mixtures interacting via pair potentials with variable softness, fixed well depth, and fixed well depth location. These constraints give rise to progressively more negative attractive tails upon softening, for separations greater than the potential ener...

We explore a general-purpose heuristic algorithm for finding high-quality solutions to continuous optimization problems. The method, called continuous extremal optimization (CEO), can be considered as an extension of extremal optimization and consists of two components, one which is responsible for global searching and the other which is responsible for local searching. The CEO's performance pr...

An optimization scheme for atomic cluster structures, based on exaggerating the importance of the gravitational force, is introduced. Results are presented for calculations on Lennard-Jones clusters of 13, 38, and 55 atoms, and the 13-atom Morse cluster.

The present study is a theoretical calculation for the effects of high pressure on thermodynamic properties GaN up to 40Gpa at room temperature. Volume compression ratio (V0/Vp), lattice constant (a) and elastic bulk modulus(B) have been established. Furthermore, frequencies disruptions function by analyzing phonon frequency spectrum (PFS) (0 K). entire calculations rely using two equation stat...

The operator Lry = / + Py, whose domain is determined in part by the Stieltjes integral boundary condition Jo dv{i)y{f) = 0, is studied in Xj¡($>, 1), 1 < p < oo. It is shown that Lp has a dense domain; hence there exists a dual operator L* operating on .£¡¡(0,1). After finding LJ we show that both L, and L¡¡ are Fredholm operators. This implies some elementary results concerning the spectrum a...

We analyze the structure diagram for binary clusters of Lennard-Jones particles by means of a global optimization approach for a large range of cluster sizes, compositions, and interaction energies and present a publicly accessible database of 180 000 minimal energy structures (http://softmattertheory.lu/clusters.html). We identify a variety of structures such as core-shell clusters, Janus clus...

We reanalyse the cell theory of Lennard-Jones and Devonshire and find that in addition to the critical point originally reported for the 12−6 potential (and widely quoted in standard textbooks), the model exhibits a further critical point. We show that the latter is actually a more appropriate candidate for liquid-gas criticality than the original critical point. Typeset using REVTEX