Article 12113

Title of the article

MODELING THE CASCADES OF ATOMIC DISPLACEMENTS IN ALPHA IRON CONTAINING
SIMMETRICALLY TILT GRAIN BOUNDARY

Authors

Muralev Artem Borisovich, Postgraduate student, Ulyanovsk State University (Ulyanovsk, 42 Lva Tolstogo str.), a.b.muralev@yandex.ru
Tikhonchev Mikhail Yryevich , Candidate of physical and mathematical sciences, head of computer modeling
laboratory of inorganic materials, Research Institute of Technology, Ulyanovsk State University (Ulyanovsk, 42 Lva Tolstogo str.), tikhonchev@sv.ulsu.ru
Svetukhin Vyacheslav Viktorovich, Doctor of physical and mathematical sciences, professor, head of Research Institute of Technology, Ulyanovsk State University (Ulyanovsk, 42 Lva Tolstogo str.), slava@sv.uven.ru 

Index UDK

544.022.342, 544.022.344.2

Abstract

The work is devoted to examination of primary radiation damage of alphairon bicrystals with twin grain boundary by means of molecular dynamics simulation. Simulation is based on the multibody interatomic interaction. The authors have considered atomic models of six types of extended twin grain boundaries in bcc iron. Their specific energies have been calculated and grain region sizes have been determined. The researchers have simulated evolution of atomic cascade displacements in bicrystals of alpha-iron with a symmetric grain boundary Σ5 (310)[001]. According to the obtained results, the authors have conducted a comparative analysis of a number of radiation-induced defects formed in a perfect crystal lattice and bicrystals containing grain boundaries.

Key words

molecular dynamics, grain boundary, radiation damage, atomic displacement cascade.

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Дата создания: 20.01.2014 12:43
Дата обновления: 21.07.2014 08:27