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Computer simulation of low-energy displacement events in pure HCP metals

 

作者: S.J. Wooding,   D.J. Bacon,  

 

期刊: Radiation Effects and Defects in Solids  (Taylor Available online 1994)
卷期: Volume 130-131, issue 1  

页码: 461-469

 

ISSN:1042-0150

 

年代: 1994

 

DOI:10.1080/10420159408219804

 

出版商: Taylor & Francis Group

 

关键词: Displacement cascades;displacement threshold energy;titanium;hexagonal close-packed;replacement collision sequences;point defects

 

数据来源: Taylor

 

摘要:

Molecular dynamics simulations of low-energy atomic recoils have been carried out for α-Ti (HCP) with a view to investigating the displacement threshold energy, Ed, in detail. These have been undertaken at 0 K and 100 K, using a many-body interatomic potential modified to reflect the dominant two-body interaction at short range. This is the first systematic study of atomic displacement events in the HCP structure using such a potential. The mechanisms of these threshold events have been investigated and the strong orientation dependence of the threshold energy has been interpreted in terms of the HCP crystal structure. Also, a correlation has been found between the magnitude of the threshold displacement energy and the maximum number of atoms temporarily displaced into interstitial positions during a cascade.

 

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