First-principles calculations atomic structure and elastic properties of Ti-Nb alloys

• Дата: 2012
• Автори: Timoshevskii, A.N., Yablonovskii, S.O., Ivasishin, O.M.
• Формат: Стаття
• Мова: English
• Опубліковано: НТК «Інститут монокристалів» НАН України 2012
• Назва видання: Functional Materials
• Теми: Modeling and simulation
• Онлайн доступ: http://dspace.nbuv.gov.ua/handle/123456789/135306
• Назва журналу: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Цитувати: First-principles calculations atomic structure and elastic properties of Ti-Nb alloys / A.N. Timoshevskii, S.O. Yablonovskii, O.M. Ivasishin // Functional Materials. — 2012. — Т. 19, № 2. — С. 266-271. — Бібліогр.: 15 назв. — англ.

Elastic properties of Ti based (3-alloy were studied by the method of the model structure first principle calculations. Concentrational dependence of Young modulus for the binary (3-alloy Ti₁₋ₓNbₓ was discovered. It is shown that peculiarities visible at 0.15 - 0.18 a.u. concentrations can be relate...