Analytical model for intergrain expansion and cleavage: random grain boundaries

• Дата: 2014
• Автори: Mazilova, T.I., Sadanov, E.V., Dudka, O.V., Ksenofontov, V.A., Starchenko, I.V., Velicodnaya, O.A.
• Формат: Стаття
• Мова: English
• Опубліковано: Національний науковий центр «Харківський фізико-технічний інститут» НАН України 2014
• Назва видання: Вопросы атомной науки и техники
• Теми: Физика радиационных повреждений и явлений в твердых телах
• Онлайн доступ: http://dspace.nbuv.gov.ua/handle/123456789/79949
• Назва журналу: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Цитувати: Analytical model for intergrain expansion and cleavage: random grain boundaries / T.I. Mazilova, E.V. Sadanov, O.V. Dudka, V.A. Ksenofontov, I.V. Starchenko, O.A. Velicodnaya // Вопросы атомной науки и техники. — 2014. — № 2. — С. 17-20. — Бібліогр.: 6 назв. — анг.

A description of rigid-body grain boundary relaxation and cleavage in tungsten is performed using a pair-wise Morse interatomic potential in real and reciprocal spaces. Cleavage energies and grain boundary dilatation of random grain boundaries were formulated and computed using atomic layer interaction energies. These values were determined using a model for a relaxed random grain boundary that consists of rigid grains on either side of the boundary plane that are allowed to float to reach the equilibrium position. Expressions are given that describe in real space the energy of interatomic interaction on random grain boundaries with twist orientation. It was shown that grain-boundary expansion and cleavage energies of the most widespread random grain boundaries are mainly determined by grain boundary atomic density.