Related papers: Thermodynamic properties of binary HCP solution ph…
We study binary mixtures of hard particles, which exclude up to their $k$th nearest neighbors ($k$NN) on the simple cubic lattice and have activities $z_k$. In the first model analyzed, point particles (0NN) are mixed with 1NN ones. The…
Pseudobinary heterostructural alloys of ZnO with MgO or CdO are studied by composing the system locally of clusters with varying ratio of cations. We investigate fourfold (wurtzite structure) and sixfold (rocksalt structure) coordination of…
Three-dimensional icosahedral random tilings with rhombohedral cells are studied in the semi-entropic model. We introduce a global energy measure defined by the variance of the quasilattice points in the orthogonal space. The internal…
Hf and Zr nitrides are promising compounds for many technologically important areas, including high temperature structural applications, quantum computing and solar/optical applications. This article reports on a comprehensive…
From systematic ab initio calculations of the alloy system Mg_{1-x}Al_{x}B_2, we find a strong tendency for the formation of a superstructure characterized by Al-rich layers. We also present a simple model, based on calculated energies and…
Nested Steiner quadruple systems are designs derived from Steiner quadruple systems (SQSs) by partitioning each block into pairs. A nested SQS is completely uniform if every possible pair appears with equal multiplicity, and completely…
We consider a random matrix model which describes the competition between chiral symmetry breaking and the formation of quark Cooper pairs in QCD at finite density. We study the evolution of the phase structure in temperature and chemical…
The low-energy structures of mixed Ar--Xe and Kr--Xe Lennard-Jones clusters are investigated using a newly developed parallel Monte Carlo minimization algorithm with specific exchange moves between particles or trajectories. Tests on the…
The Pair Approximation method is applied to the antiferromagnetic Heisenberg-Ising spin-1/2 bilayer with a simple cubic crystalline structure. The method allows for self-consistent calculations of thermodynamic quantities, based on the…
Refractory high entropy alloys (R-HEAs) are having properties and uses as high strength and high hardness materials for ambient and high temperature, aerospace and nuclear radiation tolerance applications, orthopedic applications etc. The…
The process of structural relaxation in disordered solids subjected to repeated tension-compression loading is studied using molecular dynamics simulations. The binary glass is prepared by rapid cooling well below the glass transition…
A model for a monolayer of two types of particles spontaneously forming ordered patterns is studied by a mesoscopic theory and by MC simulations. We assume hard-cores of the same size for both components, short-range attraction long-range…
The liquid structure of a glass-forming binary alloy is studied using molecular dynamics simulations. The analysis combines common neighbour analysis with the geometrical approach of Frank and Kasper to establish that the supercooled liquid…
The Pair Approximation method is applied to studies of the magnetic Ising-Heisenberg bilayer with simple cubic structure and spin $S=1/2$. The method allows to take into account quantum effects related to Heisenberg couplings. In the paper…
Due to their aperiodic nature, quasicrystals are one of the least understood phases in statistical physics. One significant complication they present in comparison to their periodic counterparts is the fact that any quasicrystal can be…
Using density functional molecular dynamics simulations, we study the behavior of different hydrogen-oxygen compounds at megabar pressures and several thousands of degrees Kelvin where water has been predicted to occur in superionic form.…
Multi-frequency forcing of systems undergoing a Hopf bifurcation to spatially homogeneous oscillations is investigated using a complex Ginzburg-Landau equation that systematically captures weak forcing functions that simultaneously hit the…
Experimental realizations of a variety of atomic binary Bose-Fermi mixtures have brought opportunities for studying composite quantum systems with different spin-statistics. The binary atomic mixtures can exhibit a structural transition…
The self-assembly of binary nanoparticle superlattices from colloidal mixtures is a promising method for the fabrication of complex colloidal co-crystal structures. However, binary mixtures often form amorphous or metastable phases instead…
The surprising recent discoveries of quasicrystals and their approximants in soft matter systems poses the intriguing possibility that these structures can be realized in a broad range of nano- and micro-scale assemblies. It has been…