相关论文: A geometrical model for Mixed cyanide crystals

In a cluster crystal, each lattice site is occupied by multiple soft-core particles. As the number density is increased at zero temperature, a `cascade' of isostructural phase transitions can occur between states whose site occupancy…

We systematically study the pristine and doped chromium arsenide (CrAs) in six different crystal structures to investigate the structural, magnetic, and optical properties for real applications by first-principles calculations. First, we…

We consider an off-lattice liquid crystal pair potential in strictly two dimensions. The potential is purely repulsive and short-ranged. Nevertheless, by means of a single parameter in the potential, the system is shown to undergo a…

Recently first principles microscopic calculations, using the generalized gradient approximation, appeared for the solid mixed system $AgCl{_x}Br_{1-x}$ at various compositions. Here, we suggest a model that can estimate the compressibility…

Jamming is an athermal transition between flowing and rigid states in amorphous systems such as granular matter, colloidal suspensions, complex fluids and cells. The jamming transition seems to display mixed aspects of a first-order…

Effects of charge-density fluctuations on a phase behavior of the restricted primitive model (RPM) are studied within a field-theoretic formalism. We focus on a $\lambda$-line of continuous transitions between charge-ordered and…

Heavy-ion collisions performed in the beam energy range accessible by the NICA collider facility are expected to produce systems of extreme net-baryon densities and can thus reach yet unexplored regions of the QCD phase diagram. Here, one…

A coarsened model for a binary system with limited miscibility of components is proposed; the system is described in terms of structural states in small parts of the material. The material is assumed to have two alternative types of…

The earlier-developed master equation approach and kinetic cluster methods are applied to study kinetics of L1_0 type orderings in alloys, including the formation of twinned structures characteristic of cubic-tetragonal-type phase…

The revealing properties of transition metal (T)-doped graphene systems are investigated with the use of the first-principles method. The detailed calculations cover the bond length, position and height of adatoms, binding energy,…

We have measured the magnetic properties of a mixed valency iron phosphate. It presents an original structure with crossed chains containing Fe II and orthogonal to the longest direction of the crystallites. Microstructural investigations…

A discrete model describing defects in crystal lattices and having the standard linear anisotropic elasticity as its continuum limit is proposed. The main ingredients entering the model are the elastic stiffness constants of the material…

We consider disordered models of pinning of directed polymers on a defect line, including (1+1)-dimensional interface wetting models, disordered Poland--Scheraga models of DNA denaturation and other (1+d)-dimensional polymers in interaction…

We find an order-disorder transition from crystals to disordered crystals for static packings of frictionless spheres. While the geometric indicators are mostly blind to the transition, disordered crystals already exhibit properties apart…

Intercalation of rare earth metals ($RE$ = Eu, Dy, and Gd) is achieved by depositing the $RE$ metal on graphene that is grown on silicon-carbide (SiC) and by subsequent annealing at high temperatures to promote intercalation. STM images of…

The addition of uniaxial random fields to the XY model induces an order-by disorder transition, in which the XY magnet develops a spontaneous magnetization in the direction perpendicular to the uniaxial random field. Here, we use…

Lattice QCD calculations have shown that the transition from hadrons to quarks and gluons is a rapid crossover at $T = 155-160$ MeV at vanishing chemical potential. Many model calculations show that the transition is first-order at…

Alloying metals with other elements is often done to improve the material strength or hardness. A key microscopic mechanism is precipitation hardening, where precipitates impede dislocation motion, but the role of such obstacles in…

We use computer simulations to analyse the yielding transition during large-amplitude oscillatory shear of a simple model for soft jammed solids. Simultaneous analysis of global mechanical response and particle-scale motion demonstrates…

Complex intermetallic materials known as MAX phases exhibit exceptional properties from both metals and ceramics, largely thanks to their nanolayered structure. With high-resolution scanning transmission electron microscopy supported by…