Theoretical study on irradiation damage of metal-filled multi-walled carbon nanotubes

Jiawen MA; Wenbin GONG; Wei ZHANG; Zijian XU; Chengbin WANG; Cuilan REN; Ping HUAI; Zhiyuan ZHU

doi:10.11889/j.0253-3219.2016.hjs.39.060503

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Theoretical study on irradiation damage of metal-filled multi-walled carbon nanotubes

NUCLEAR PHYSICS, INTERDISCIPLINARY RESEARCH | 更新时间：2021-05-24

- Theoretical study on irradiation damage of metal-filled multi-walled carbon nanotubes
- NUCLEAR TECHNIQUES Vol. 39, Issue 6, Article number: 060503(2016)
- 作者机构：
  
  1.中国科学院上海应用物理研究所嘉定园区上海 201800
  2.中国科学院大学北京 100049
  3.中国科学院微观界面物理与探测重点实验室上海 201800
  4.中国科学院纳米技术与纳米仿生研究所苏州 215123
- 作者简介：
- 基金信息：
  
  National Natural Science Foundation of China;National Natural Science Foundation of China;National Natural Science Foundation of China
- DOI：10.11889/j.0253-3219.2016.hjs.39.060503
  CLC： TL11
- Received：11 March 2016，
  
  Revised：08 April 2016，
  
  Published：2016-06
- 稿件说明：
移动端阅览
Jiawen MA, Wenbin GONG, Wei ZHANG, et al. Theoretical study on irradiation damage of metal-filled multi-walled carbon nanotubes[J]. Nuclear techniques, 2016, 39(6): 060503
DOI：

Jiawen MA, Wenbin GONG, Wei ZHANG, et al. Theoretical study on irradiation damage of metal-filled multi-walled carbon nanotubes[J]. Nuclear techniques, 2016, 39(6): 060503 DOI： 10.11889/j.0253-3219.2016.hjs.39.060503.

摘要

辐射损伤性能是制约核电池效能和使用寿命的重要因素。美国研究者Popa-Simil提出基于碳纳米管、金属复合结构材料的概念核电池

可实现核能到电能的高效转换

其设计中利用了碳纳米管的抗辐射损伤特性。本文通过建立包覆金属铜的多壁碳纳米管模型

采用分子动力学方法

对内嵌金属的多壁碳纳米管体系进行了辐射损伤的模拟研究。从配位缺陷数、溅射原子数、完美结构缺陷(Perfect structure defect

PST)原子数以及总的辐射损伤量等方面

与无内嵌金属的碳纳米管体系进行了分析对比。发现在有金属铜内嵌的情况下

溅射原子产额与无金属内嵌情况差别不大

但配位数缺陷和PST缺陷减小。表明内嵌金属起到支撑的效果

降低多壁碳纳米管在辐照下的形变

增强了其自修复能力

从而使得辐照耐受性能有所增强。

Abstract

Background:

Nuclear battery is a promising energy transfer device with outstanding performance. Since the 1950s

a lot of studies have been made onthe transfer of nuclear energy to electric energy through a small device. However

irradiation damage affects the efficiency and lifetime of nuclear battery. Popa-Simil proposed a theoretical model based on multi-walled carbon nanotubes (MWNTs) and metal which can achieve high energy transfer efficiency. The irradiation tolerance of MWNTs with metal embedded should be evaluated.

Purpose:

This studyaims to investigate the irradiation tolerance of the model of a multi-walled carbon nanotube with copper atoms embedded and compare it with one containing no cooper atoms to find out the effect of metal inside nanotubes on the irradiation tolerance.

Methods:

Based on empirical analytical potentials

molecular dynamics (MD) method was applied to investigate irradiation damage of the multi-walled nanotube structure with copper inside. We chose six incident energy points

which are 100eV

200eV

400eV

600eV

800eV and 1000eV

and

each energy point contained 150 independent bombarding incidents. The system was annealed after the irradiation stage then the defects were counted and analyzed.

Results:

Three different defect types

which are the coordination defect

sputtered atoms and perfect structure defect (PST)

and the total damage (defined as the summation of these three defect amounts) were evaluated as the irradiation tolerance of the system. In metal-filled MWNT system

the number of coordination defects

PST defects and total damage are smaller than that of independent MWNT system

while the number of sputtered atoms is similar with that of independent MWNT system

while some of its mechanism is different.

Conclusion:

With metal inside MWNTs

the total damage by irradiation is reduced and the irradiation tolerance of this system is promoted by metal. It can be used to improve performance of nuclear batteries as major materials.

关键词

Keywords

references

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