相关论文: Molecular dynamics study of diffusionless phase tr…

We investigate phase transitions in the nonequilibrium dynamics of power-law interacting spin-1/2 bilayer XXZ models, which have recently been shown to allow generation of entanglement in the form of two-mode squeezing. We find a transition…

The dynamics of phase transformation due to homogeneous nucleation has long been analyzed using the classic Kolmogorov-Johnson-Mehl-Avrami (KJMA) theory. However, the dynamics of phase transformation due to heterogeneous nucleation has not…

The (3+1)-dimensional ideal hydrodynamics is used to simulate collisions of gold nuclei with bombarding energies from 1 to 160 GeV per nucleon. The initial state is represented by two cold Lorentz-boosted nuclei. Two equations of state:…

High-quality Bi$_{2+x}$Sr$_{2-x}$CuO$_{6+\delta}$(0$<$x$\leq$0.5) single crystals have been grown successfully using the travelling-solvent floating-zone(TSFZ) technique. The samples with $x >$ 0.05 are in the underdoped level. The…

Twinning is a common crystallographic phenomenon, which usually occurs in crystals during symmetry-lowering phase transition. Once formed, twin domains play an important role in defining physical properties: for example, twin domains…

We systematically calculate the structure, formation enthalpy, formation free energy, elastic constants and electronic structure of Ti$_{0.98}$X$_{0.02}$ system by density functional theory (DFT) simulations to explore the effect of…

Tetramethylammonium (TMA) cadmium azide, is a new perovskite-like compound which undergoes a series of first-order phase transitions, including a ferroelastic transition above room temperature. Understanding the order-disorder structural…

Context. Helically forced magneto-hydrodynamic shearing-sheet turbulence can support different large-scale dynamo modes, although the {\alpha} - {\Omega} mode is generally expected to dominate because it is the fastest growing. In an…

Twist-engineering of topological phases in two-dimensional materials offers a powerful route to modulate electronic structure beyond conventional strain or chemical control. In particular, group 15 (pnictogens) monolayers such as bismuthene…

Anharmonic inter-atomic potential x to power of n, n>1, has been used in molecular dynamics (MD) simulations of stress dynamics of FCC oriented crystal. The model of the chain of masses and springs is found as a convenient and accurate…

A ternary liquid crystalline mixture was designed to obtain a tilted hexatic smectic phase in the glassy state. Structural, electro-optic, and dielectric properties of the mixture are investigated, and selected measurements are also…

The critical behaviour associated with cooperative Jahn-Teller phase transitions in TbV$_{1-x}$As$_{x}$O$_{4}$ (where \textit{x} = 0, 0.17, 1) single crystals have been studied using high resolution x-ray scattering. These materials undergo…

Electronic states under pressure exhibit unconventional spin and charge dynamics that provide a powerful route to uncover exotic phases in quantum materials. Here, we present the structural, magnetic, and electronic evolution of…

We study the dynamics of hardcore spin models on the square and triangular lattice, constructed by analogy to hard spheres, where the translational degrees of freedom of the spheres are replaced by orientational degrees of freedom of spins…

Tensile twinning is a main deformation mode in hexagonal close packed structure metals, so it is important to comprehensively understand twinning mechanisms which are not fully disclosed using 2D or small volume 3D characterization…

We report the combined results of molecular dynamics simulations and theoretical calculations concerning various dynamical arrest transitions in a model system representing a dipolar fluid, namely, N (softcore) rigid spheres interacting…

Molecular dynamics simulations performed on <110> Cu nanopillars revealed significant difference in deformation behavior of nanopillars with and without twin boundary. The plastic deformation in single crystal Cu nanopillar without twin…

The phase transition kinetics in three phase systems was investigated using the numerically efficient cell dynamics method. A phasefield model with a simple analytical free energy and single order parameter was used to study the kinetics…

We investigate the crystallization of crosslinked and entangled polymers under external deformation using a coarse-grained poly(vinyl alcohol) (CG-PVA) model and molecular dynamics simulations. Following uniaxial deformation, the systems…

Polycrystalline samples of underdoped (Ba1-xKx)Fe2As2 (x<=0.4) were synthesized and studied by x-ray powder diffraction, magnetic susceptibility, specific heat and 57Fe-Moessbauer-spectroscopy. The structural phase transition from…