TY - JOUR
T1 - Phase-field simulation of domain structure evolution during a coherent hexagonal-to-orthorhombic transformation
AU - Wen, Y. H.
AU - Wang, Y.
AU - Chen, L. Q.
N1 - Funding Information:
The authors are grateful to L. A. Bendersky, National Institute of Standards and Technology, Gaithersburg, Maryland, for helpful discussions. This work is supported by the Office of Naval Research under grant NOOO14-95-1-0577 (Wen and Chen), and the National Science Foundation under grant DMR-9703044 (Wen and Wang) and grant DMR-96-33719 (Chen). The simulation was performed at the San Diego Supercomputer Center and the Pittsburgh Supercomputing Center.
PY - 2000/9
Y1 - 2000/9
N2 - The formation and temporal evolution of domain structures during a hexagonal → orthorhombic transformation is studied using computer simulations based on a continuum diffuse-interface phase-field approach. All the essential driving forces for the domain formation and evolution are taken into account, including the bulk chemical free energy, the domain wall energy and the elastic strain energy. The various domain configurations observed from the computer simulations show excellent agreement with existing experimental observations in a number of systems undergoing hexagonal → orthorhombic or hexagonal → monoclinic transformations. It is shown that, even with the assumption of isotropic domain wall energy and isotropic elastic modulus, the anisotropic elastic interactions alone caused by the non-dilatational strains can reproduce all the interesting domain structures observed experimentally. It is also demonstrated that many of the specific domain configurations are actually formed during the domain coarsening process after the phase transformation has been completed.
AB - The formation and temporal evolution of domain structures during a hexagonal → orthorhombic transformation is studied using computer simulations based on a continuum diffuse-interface phase-field approach. All the essential driving forces for the domain formation and evolution are taken into account, including the bulk chemical free energy, the domain wall energy and the elastic strain energy. The various domain configurations observed from the computer simulations show excellent agreement with existing experimental observations in a number of systems undergoing hexagonal → orthorhombic or hexagonal → monoclinic transformations. It is shown that, even with the assumption of isotropic domain wall energy and isotropic elastic modulus, the anisotropic elastic interactions alone caused by the non-dilatational strains can reproduce all the interesting domain structures observed experimentally. It is also demonstrated that many of the specific domain configurations are actually formed during the domain coarsening process after the phase transformation has been completed.
UR - http://www.scopus.com/inward/record.url?scp=0347645636&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0347645636&partnerID=8YFLogxK
U2 - 10.1080/01418610008212146
DO - 10.1080/01418610008212146
M3 - Article
AN - SCOPUS:0347645636
SN - 0141-8610
VL - 80
SP - 1967
EP - 1982
JO - Philosophical Magazine A: Physics of Condensed Matter, Structure, Defects and Mechanical Properties
JF - Philosophical Magazine A: Physics of Condensed Matter, Structure, Defects and Mechanical Properties
IS - 9
ER -