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Simulating Frenkel pair recombination by application of a space-partitioning tree data structure

 

作者: J.L. Helm,  

 

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

页码: 21-37

 

ISSN:1042-0150

 

年代: 1994

 

DOI:10.1080/10420159408219768

 

出版商: Taylor & Francis Group

 

关键词: Spontaneous recombination;algorithms;data structures;binary collision approximation;displacement cascades

 

数据来源: Taylor

 

摘要:

The simulation of point defect production in crystal lattices by irradiation presents many difficult problems in computational geometry. Shapes such as lobes, ‘starbursts', and chains are common at many scales of measure. With the exception of molecular dynamics methods, simulation techniques use simple, distance based models to detect the interaction of these complex objects. A constructive procedure based on recursive space partitioning and a data structure called ak-dBSP tree has been developed and applied to simulating the spontaneous recombination of unstable Frenkel pairs. Frenkel pair distributions were obtained for BCC iron from displacement cascades simulated using the binary collision approximation. Approximately 57% of the Frenkel pairs generated by these displacement cascades were found to be unstable.

 

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