Abstract
Effect of deformation along various directions against migrating boundary on migration rate of edge boundaries with <100> and <111> misorientation axes in nickel was studied by means of molecular dynamics method. Grain boundaries were created in U-shaped model. Force of boundary surface tension, arising from the boundary intension to minimize its energy, was the reason of directed movement of the boundary toward its area decrease. The force provoking migration and migration rate of the boundary remained constant throughout the entire movement of the boundary, gradually decreasing towards the end of computer experiment, which made it possible to measure migration rate quite simply. Effect of uniaxial deformation along the X, Y, Z axes on migration rate of the boundaries was considered. Uniaxial deformation in the model was set at beginning of the computer experiment by changing corresponding interatomic distances along one of the axes. Interactions of nickel atoms with each other were described with the aid of Cleri Rosato many-particle potential constructed in the framework of tight binding model. For the boundaries considered, dependences of migration rate on misorientation angle at temperature of 1700 K were obtained. It is shown that the high-angle <111> and <100> edge boundaries migrate approximately at the same rate, while mobility of low-angle boundaries differs significantly: low-angle <111> boundaries migrate about twice as fast as the <100> boundaries. It was found that in almost all cases, both at elastic compression and tension deformation, migration rate of considered boundaries was slowed down. An exception was the case of deformation along the <111> edge boundary axis. When compressing along the edge axis, <111> boundary migrated faster, while on the contrary, it was slower at tension. The obtained results testify to the fact that migration of edge boundaries is not due to diffusion processes, such as climbing of dislocations, single migrations of atoms, but, apparently, by collective atomic permutations: shifts, slides and splittings of grain boundary dislocations.
Highlights
Effect of deformation along various directions against migrating boundary on migration rate of edge boundaries with and misorientation axes in nickel was studied by means of molecular dynamics method
The force provoking migration and migration rate of the boundary remained constant throughout the entire movement of the boundary, gradually decreasing towards the end of computer experiment, which made it possible to measure migration rate quite
Uniaxial deformation in the model was set at beginning of the computer experiment by changing corresponding interatomic distances along one of the axes
Summary
Зоря И.В.2, к.т.н., директор архитектурно-строительного института Ракитин Р.Ю.3, к.ф.-м.н., директор колледжа. Методами молекулярной динамики проведено исследование влияния деформации вдоль различных направлений относительно мигрирующей границы на скорость миграции границ наклона с осями разориентации и в никеле. Выполненные как на металлах с кубической, так и гексагональной кристаллической решеткой, показали, что с ростом угла разориентации зерен подвижность границ в целом увеличивается. Однако в работах [6 – 8] результаты экспериментов по миграции границ наклона показали, что малоугловые границы с одной и той же осью разориентации имеют почти одинаковую энергию активации миграции в широком диапазоне углов разориентации, что косвенно свидетельствует об одинаковом элементарном механизме миграции таких границ. Настоящая работа посвящена исследованию методом молекулярной динамики влияния деформации вдоль различных направлений относительно мигрирующей границы на скорость миграции границ наклона с осями разориентации и в типичном металле с ГЦК кристаллическ ой решеткой – никеле
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