Energies of the tilt grain boundaries in ordered alloy NiAl

被引：0

作者：

Starostenkov, MD ^{[1
]}

Dem'yanov, BF ^{[1
]}

Sverdlova, EG ^{[1
]}

Grakhov, EL ^{[1
]}

机构：

[1] II Polzunov Altaj State Tech Univ, Gen Phys Dept, Barnaul 656099, Russia

来源：

METALLOFIZIKA I NOVEISHIE TEKHNOLOGII | 1998年 / 20卷 / 08期

关键词：

grain boundary; computer simulation; coincidence site lattice; superlattice B2; NiAl;

D O I：

暂无

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Computer simulation of symmetric tilt grain boundaries (GBs) with an axis of turn [100] for angles of misorientation theta from 16.26 degrees to 73.74 degrees and reciprocal density of coincidence site Sigma less than or equal to 25 in alloy NiAl is carried out. The atomic interactions have been described by Morse's empirical central-force potentials. The energy of GB was calculated out us;ng three-dimensional atomic relaxation. For each GB was constructed gamma-surface. Researched GBs have several steady states; one stare is stable, the others are metastable. These states differ by energy and atomic structure of GB. It is shown that GBs in model CSL are unstable, the stabilization is achieved by additional displacement on some vector along the plane of defect.

引用

页码：55 / 59

页数：5

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