MD Simulations of Collision Cascades in α-Ti. Cluster Statistics and Governing Mechanisms of Point Defect Cluster Formation

被引：1

作者：

Voskoboinikov, R. E. ^{[1
,2
]}

机构：

[1] Natl Res Nucl Univ, MEPhI, Moscow 115409, Russia

[2] Kurchatov Inst, Natl Res Ctr, Moscow 123182, Russia

来源：

PHYSICS OF METALS AND METALLOGRAPHY | 2023年 / 124卷 / 08期

关键词：

alpha-titanium; irradiation; collision cascades; primary damage; Frenkel pairs; clusters of point defects; one-dimensional diffusion; molecular dynamics; PRIMARY DAMAGE CREATION; DISPLACEMENT CASCADES; COPPER;

D O I：

10.1134/S0031918X23601154

中图分类号：

TF [冶金工业];

学科分类号：

0806 ;

摘要：

A comprehensive statistical treatment is conducted to analyse the outcomes of MD simulations of collision cascades in alpha-titanium in a wide range of primary knocked-on atoms (PKAs) energy 5 keV <= E-PKA <= 25 keV and irradiation temperature 100 K <= T <= 900 K. The fractions of vacancies epsilon(v) and interstitial atoms epsilon i in clusters of point defects formed in individual cascades and their average values <epsilon(v)> and <epsilon(i)>, the average sizes of vacancy < N-vac > and interstitial < N-SIA > clusters, and the average number of vacancy < N-vac > and interstitial < N-SIA > clusters per cascade are evaluated. The physical mechanisms that determine the dependence of <epsilon v >, <epsilon i >, < N-vac >, < N-SIA >, < Y-vac >, and < Y-SIA > on simulation parameters (E-PKA,T) have been proposed.

引用

页码：751 / 757

页数：7

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