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The AlCrTiV high entropy alloy undergoes an order-disorder transition from body centered cubic (Strukturbericht A2) at high temperatures to the CsCl structure (B2) at intermediate temperatures. We model this transition using first…
The closed analytical expression for the electron density of states function in a rectangular lattice is derived in an elementary way in terms of complete elliptic integrals of the first kind. The lattice can be treated as a deformed square…
Emergence of algebraic quasi-long-range order is a key feature of superfluid phase transitions at two dimensions. For this reduced dimensionality interactions prevent Bose-Einstein condensation with true long range order, at any finite…
A model for the adsorption of a binary mixture on a one-dimensional infinite lattice with nearest neighbour cooperative effects is considered. The particles of the two species are both monomers but differ in the repulsive interaction…
Interfacial segregation and chemical short-range ordering influence the behavior of grain boundaries in complex concentrated alloys. In this study, we use atomistic modeling of a NbMoTaW refractory complex concentrated alloy to provide…
We examine the statics and dynamics of vortices in the presence of a periodic quasi-one dimensional substrate, focusing on the limit where the vortex lattice constant is smaller than the substrate lattice period. As a function of the…
The local organisation of a simulated glass-forming mixture due to Kob and Andersen is analysed. Evidence is presented for a structural transition from triangulated coordination polyhedra to cubic as the number fraction of the smaller…
We report on the results of molecular dynamics simulation (MD) studies of the classical two-dimensional electron crystal in the presence disorder. Our study is motivated by recent experiments on this system in modulation doped semiconductor…
We present a new microscopic model of granular medium to study the role of dynamical correlations and the onset of spatial order induced by the inelasticity of the interactions. In spite of its simplicity, it features several different…
The vortex lattice in a Type II superconductor provides a versatile model system to investigate the order-disorder transition in a periodic medium in the presence of random pinning. Here, using scanning tunnelling spectroscopy in a weakly…
X-ray diffraction experiments under pressure in a diamond anvil cell have been performed to gauge any response of the crystalline lattice of URu2Si2 to the "hidden order" or antiferromagnetic transitions, the latter of which is accessible…
Defects in the atomic lattice of solids are sometimes desired. For example, atomic vacancies, single ones or more elaborated defective structures, can generate localized magnetic moments in a non magnetic crystalline lattice. Increasing…
Using molecular dynamics simulation, we examine the dynamics of crystal, polycrystal, and glass in a Lennard-Jones binary mixture composed of small and large particles in two dimensions. The crossovers occur among these states as the…
Herein, fundamentals of topology and symmetry breaking are used to understand crystallization and geometrical frustration in topologically close-packed structures. This frames solidification from a new perspective that is unique from…
Our aim is to calculate the evolution of Algol binaries within the framework of the osculating orbital theory, which considers the perturbing forces acting on the orbit of each star arising from mass exchange via Roche lobe overflow (RLOF).…
Density functional perturbation theory is a well-established method to study responses of molecules and solids, especially responses to atomic displacements or to different perturbing fields (electric, magnetic). Like for density functional…
Strongly correlated fermions in a crystal or in an optical lattice in the presence of binary alloy disorder are investigated. We employ the statistical dynamical mean-field theory, which incorporates both, local fluctuations due to disorder…
Solid solutions occur when multiple chemical species share sites of a common crystal lattice. Although the single site occupation is random, chemical interaction preferences bias the occupation probabilities of neighboring sites, and this…
Crystal structures of simple metals and binary alloy phases based on the close-packed hexagonal structure are analyzed within the model of Fermi sphere-Brillouin zone interactions to understand distortions and superlattices. Examination of…
Using density functional theory, we determine parameters of tight-binding Hamiltonians for a variety of Fabre charge transfer salts, focusing in particular on the effects of temperature and pressure. Besides relying on previously published…