Molecular dynamics simulation of displacement cascades in zircon

被引：0

作者：

Shpak, A. P. ^{[1
]}

Grechanovsky, O. Ye. ^{[2
]}

Litovchenko, A. S. ^{[1
]}

Sayenko, S. Yu. ^{[3
]}

机构：

[1] Natl Aviat Univ, Kiev, Ukraine

[2] Natl Acad Sci Ukraine, Inst Geochem Mineral & Ore Format, Kiev, Ukraine

[3] Kharkov Phys Tech Inst, Natl Sci Ctr, Kharkov, Ukraine

来源：

PROBLEMS OF ATOMIC SCIENCE AND TECHNOLOGY | 2007年 / 02期

关键词：

D O I：

暂无

中图分类号：

O57 [原子核物理学、高能物理学];

学科分类号：

070202 ;

摘要：

Molecular dynamics simulation with Buckingham and Morse empirical potentials has been used to study radiation damage in zircon (ZrSiO4) at 300 K, where a uranium atom was used as the primary knock-on atom with a kinetic energy of 1 keV. The dependence of number of displaced Zr, Si and O atoms versus simulation time and Si-O and O-O RDF functions have been drawn. The results of the MD simulations show that the maximal number of displaced atoms is closely equal to 100 for t approximate to 0.27 ps, and the end number of displaced atoms is closely equal to 70 for t > 1 ps.

引用

页码：29 / 32

页数：4

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