TY - JOUR
T1 - Mechanism of commensurate k = 1 3 - incommensurate phase transition
AU - Parlinski, K.
AU - Ohno, K.
AU - Kawazoe, Y.
N1 - Funding Information:
The authors would like to thank Dr. M. Sluiter for many discussions, M.Ikeda for extensiveh elp in handling the computer systems,a nd the crew of the Su-percomputerC enter of the Institute for Materials Research, Tohoku University for their continuous support. One of us (KP) would like to expressh is thanks to the staff of the Laboratory of Materials Design by Computer Simulation, Institute of Materials Research, Tohoku University, for their great hospitality and as-sistenced uring his stay, and the Hitachi Corporation for the visiting reseachp rofessorship.T his work was partially supportedb y the StateC ommitteeo f Scientific Research (KBN), grant No 2 2377 92 03.
PY - 1995/3
Y1 - 1995/3
N2 - A simple three-dimensional orthorhombic model of particles with displacive degree of freedom interacting with the strain variables has been studied by molecular-dynamics technique. The modulated degree of freedom is coupled linearly to the shear and bilinearly to the bulk deformation component. The computer simulation has confirmed that the commensurate 1 3 - incommensurate phase transition mechanism relies in nucleation and growth of stripples build up from six domains of commensurate phase 1 3, separated by discommensurations. A method of visualizing the discommensurations in a modulated pattern is proposed.
AB - A simple three-dimensional orthorhombic model of particles with displacive degree of freedom interacting with the strain variables has been studied by molecular-dynamics technique. The modulated degree of freedom is coupled linearly to the shear and bilinearly to the bulk deformation component. The computer simulation has confirmed that the commensurate 1 3 - incommensurate phase transition mechanism relies in nucleation and growth of stripples build up from six domains of commensurate phase 1 3, separated by discommensurations. A method of visualizing the discommensurations in a modulated pattern is proposed.
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U2 - 10.1016/0927-0256(94)00082-N
DO - 10.1016/0927-0256(94)00082-N
M3 - Article
AN - SCOPUS:0029272769
SN - 0927-0256
VL - 3
SP - 439
EP - 447
JO - Computational Materials Science
JF - Computational Materials Science
IS - 4
ER -