M.D. Starostenkov
,
E. V.Kozlov
,
O. V. Andruhova
,
N. V. Lomskikh
,
N.M. Gurova and A. V. Borissov 1) General Physics Department
,
ASTU
,
Lenin St. 46
,
Barnaul
,
656099
,
Russia 2) Physics Department
,
TSABU
,
Solyanaya Sq.
,
2
,
Tomsk
,
634003
,
Russia
金属学报(英文版)
The kinetics of internal boundaries relaxation: antiphase domain boundaries and interphase boundaries-in the conditions of high-temperature annealing and the structure transformations are investigated in homophase and heterophase systems. Homophase systems look like ordered binary alloy and include antiphase domain boundaries of various orientation. Clear components border on ordered alloy in heterophase systems and two processes take place simultaneously here-disordering of binary alloy and solution in ordered phase of clear component. Computer experiment is realized in the sphere of temperatures close to the temperature of order-disorder phase transition in the limits of two-dimensional model of atom diffusion at the vacant knots of crystal lattics.
关键词:
computer simulation
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M.D. Starostenkov
,
B. F. Demyanov
,
E.A. Kuklina and E. G. Sverdlova General Physics Department
,
Altai State Technical University
,
Lenin st 46
,
Barnaul
,
656099
,
Russia
金属学报(英文版)
Computer simulation of grain boundaries(GB) was carried out in Fe and ordered alloys NiAl and FeAl with B2 superlattice. In this work symmetrical tilt grain boundaries =5[100](012) and = 5[100](013) are studied. The atomic interaction has been described by Morse empirical central- force potentials.The atomic structure and energy of GB were investigated by means of construction of -surface using full atomic relaxation by method of molecular statics. It is shown that = 5 tilt GBs in Fe, Ni3Al and NiAl have several steady states. Comparison of our results with geometrical model of coincidence site lattice (CSL) was carried out. GBs in model CSL are unstable, the stabilization is achieved by additional displacement at some vector along the plane of defect.
关键词:
grain boundary
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