Isosymmetric phase transitions in the solid state
نویسندگان
چکیده
منابع مشابه
Solid-state dimer method for calculating solid-solid phase transitions.
The dimer method is a minimum mode following algorithm for finding saddle points on a potential energy surface of atomic systems. Here, the dimer method is extended to include the cell degrees of freedom for periodic solid-state systems. Using this method, reaction pathways of solid-solid phase transitions can be determined without having to specify the final state structure or reaction mechani...
متن کاملNUMERICAL SIMULATIONS OF THE PHASE TRANSITIONS IN CLUSTERS
We have studied the phase transitions in atomic clusters by molecular dynamics simulation, assuming Lennard-Jones interatomic pair potential. Calculations are performed by DAP parallel computer. The results are analyzed by simulating their orientational distribution plots (dot-plot), and neutron diffraction patterns. It is shown that all the main features of the bulk phase transitions are e...
متن کاملStrain-induced isosymmetric phase transition in BiFeO3
We calculate the effect of epitaxial strain on the structure and properties of multiferroic bismuth ferrite, BiFeO3, using first-principles density-functional theory. We investigate epitaxial strain corresponding to an 001 -oriented substrate and find that, while small strain causes only quantitative changes in behavior from the bulk material, compressive strains of greater than 4% induce an is...
متن کاملTwo-step nucleation mechanism in solid-solid phase transitions.
The microscopic kinetics of ubiquitous solid-solid phase transitions remain poorly understood. Here, by using single-particle-resolution video microscopy of colloidal films of diameter-tunable microspheres, we show that transitions between square and triangular lattices occur via a two-step diffusive nucleation pathway involving liquid nuclei. The nucleation pathway is favoured over the direct ...
متن کاملSolid-solid phase transitions via melting in metals.
Observing solid-solid phase transitions in-situ with sufficient temporal and spatial resolution is a great challenge, and is often only possible via computer simulations or in model systems. Recently, a study of polymeric colloidal particles, where the particles mimic atoms, revealed an intermediate liquid state in the transition from one solid to another. While not yet observed there, this fin...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations of Crystallography
سال: 2005
ISSN: 0108-7673
DOI: 10.1107/s0108767305086125