Screw dislocation in zirconium: Anab initiostudy
نویسندگان
چکیده
منابع مشابه
Screw dislocation interacting with imperfect interface
The study of dislocations interacting with interfaces is of great interest to understand the strengthening and hardening mechanisms in materials. Most of the existing results in this field dealt with perfect interfaces where the displacements are continuous across interfaces. In reality, however, due to damage of interfaces or other reasons, the displacements across interfaces could have a jump...
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We study the structure and formation energy of kinks in the 1/2a〈111〉 screw dislocations in metallic Tantalum (Ta) using molecular dynamics with a first principles based many-body interatomic potential. In our study, four a/3〈112〉 kinks are constructed in a quadrupole arrangement in the simulation cell. To the simulation cell, we impose periodic boundary conditions in the directions perpendicul...
متن کاملTheoretical study of kinks on screw dislocation in silicon
Theoretical calculations of the structure, formation and migration of kinks on a non-dissociated screw dislocation in silicon have been carried out using density functional theory calculations as well as calculations based on interatomic potential functions. The results show that the structure of a single kink is characterized by a narrow core and highly stretched bonds between some of the atom...
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Background & Aims: Acute acromioclavicular (AC) joint dislocation is common in shoulder injuries. Considering the biomechanics of this joint, the use of a treatment method, which can restore joint physiology and biomechanics to the extent possible, is important. This study aimed to compare the treatment of acute AC joint dislocation by screw fixation with and without ligament reconstruction. Me...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2012
ISSN: 1098-0121,1550-235X
DOI: 10.1103/physrevb.86.144104