Related papers: Body-centered phase of shock loaded Cu
The existence of a body centered tetragonal phase of Cu has been investigated in this manuscript when the single crystal FCC Cu is subjected to both high pressure and high temperature. The results have been demonstrated through DFT…
Molecular dynamics simulations are performed to investigate the structural phase transition in body-centered cubic (bcc) single crystal iron under high strain rate loading. We study the nucleation and growth of the hexagonal-close-packed…
The vortex matter phase diagram of BSCCO crystals is analyzed by investigating vortex penetration through the surface barrier in the presence of a transport current. The strength of the effective surface barrier, its nonlinearity, and…
We determine the full kinetic phase diagram for nucleation and growth of crystal phases in a suspension of charged colloids. We calculate nucleation barrier heights for face-centered cubic (fcc) and body-centered cubic (bcc) crystal phases…
Monte-Carlo simulations and small-angle x-ray scattering experiments were used to determine the phase diagram of aqueous dispersions of titratable nano-colloids with a moderate size polydispersity over a broad range of monovalent salt…
Cu is an ubiquitous material used in industry for its great thermal and electrical properties. Studying the high-pressure high temperature properties of copper (Cu) is relevant for nuclear fusion research as projectiles and flyers used in…
The search for effective methods to fabricate bulk single-phase quasicrystalline Al-Cu-Fe alloys is currently an important task. Crucial to solving this problem is to understand mechanisms of phase formation in this system. Here we study…
A detailed understanding of the material response to rapid compression is challenging and demanding. For instance, the element gold under dynamic compression exhibits complex phase transformations where there exist some large discrepancies…
The structural origin of Cu+ ions conductivity in Cu6PS5I single crystals is described in terms of structural phase transitions studied by X-ray diffraction, polarizing microscope and calorimetric measurements. Below the phase transition at…
Particle shape plays an important role in the phase behavior of colloidal self-assembly. Recent progress in particle synthesis has made particles of polyhedral shapes and dimpled spherical shapes available. Here using computer simulations…
A sheared cube is made out of a cube by giving a shear to the body in one direction keeping one of the faces fixed. We investigate here the thermodynamic phase behavior of a family of such regular hard sheared cubes, each of the members of…
Interface energy and kinetic coefficient of crystal growth strongly depend on the face of the crystalline lattice. To investigate the kinetic anisotropy and velocity of different crystallographic faces we use the hyperbolic (modified) phase…
The study of phases is useful for understanding novel states of matter. One such state of matter are time crystals which constitute periodically driven interacting many-body systems that spontaneously break time translation symmetry. Time…
In continuation of our work in [A.P. Gantapara et al., Phys. Rev. Lett. 111, 015501 (2013)], we investigate here the thermodynamic phase behavior of a family of truncated hard cubes, for which the shape evolves smoothly from a cube via a…
A chain of singly-charged particles, confined by a harmonic potential, exhibits a sudden transition to a zigzag configuration when the radial potential reaches a critical value, depending on the particle number. This structural change is a…
We describe here in detail the recently introduced methodology for simulation of structural transitions in crystals. The applications of the new scheme are illustrated on various kinds of crystals and the advantages with respect to previous…
A simple model for the angular dependent interaction between C_60 molecules in face centered cubic lattice is proposed and analyzed by use of the rigorous bifurcation approach. The quantitative results for the orientational phase transition…
Compressed S and Se are studied by x-ray diffraction with synchrotron radiation up to 160 GPa. The S-IV phase is shown to have a body-centered monoclinic structure and to be stable between 83 and 150 GPa on pressure increase, where it…
The phase diagram of colloidal hard superballs, of which the shape interpolates between cubes and octahedra via spheres, is determined by free-energy calculations in Monte Carlo simulations. We discover not only a stable face-centered cubic…
It is demonstrated by analyzing real examples that phase transitions in layered crystals occur like all other solid-state phase transitions by nucleation and crystal growth, but have a specific morphology. There the nucleation is epitaxial,…