The effects of He clusters on the mechanical properties of Ti(3)AC(2) (A = Ge, Si): first-principles studies

Song Quan; Zhang Peng; Zhuang Jun; Ning Xi-Jing

首页> 外文期刊>RSC Advances >The effects of He clusters on the mechanical properties of Ti(3)AC(2) (A = Ge, Si): first-principles studies

【24h】

The effects of He clusters on the mechanical properties of Ti(3)AC(2) (A = Ge, Si): first-principles studies

机译：他簇对Ti（3）AC（2）（A = GE，SI）的机械性能的影响：第一原理研究

获取原文

获取原文并翻译 | 示例

掌桥外文数据库（机构版） >>

开具论文收录证明 >>

文献代查 >>

页面导航

摘要
著录项
相似文献
相关主题

摘要

Herein, the damage to the mechanical properties of Ti(3)AC(2) (A = Ge, Si) was systematically investigated by first-principles calculations. It is known that the interstitial He atoms homogenously generated in the materials would finally migrate to the A layer and form clusters of no more than 7 He atoms at a mono-vacancy in the A layer, and the cluster of 7 He atoms reduces the ideal tensile strength of Ti3SiC2 (or Ti3GeC2) to about 37.3% (or 35.5%). The strain simulations showed that the fracture would mostly occur around the A layer and enhances with increase in the cluster size, while the Ti3C2 blocks are relatively stable during tension. Although the He damage to the mechanical properties shows the similar trend for Ti3SiC2 and Ti3GeC2, the former displays better properties for applications in nuclear structural devices.

机译：这里，通过第一原理计算系统地研究了对Ti（3）AC（2）（a = Ge，Si）的机械性质的损害。众所周知，在材料中均匀地产生的间隙HE原子将最终迁移到一层并在一层中的单空位中形成不超过7个HE原子的簇，并且7 HE原子的簇减少了理想 Ti3sic2（或Ti3GeC2）的拉伸强度约37.3％（或35.5％）。应变模拟表明，裂缝主要发生在层周围，并随着簇尺寸的增加而增强，而Ti3C2块在张力期间相对稳定。虽然他对机械性能的损害显示了Ti3SIC2和TI3GEC2的类似趋势，但是前者在核结构装置中显示出更好的应用。

著录项

来源
《RSC Advances》 |2017年第76期|共7页
作者
Song Quan; Zhang Peng; Zhuang Jun; Ning Xi-Jing;
展开▼
作者单位

Fudan Univ Inst Modern Phys Shanghai 200433 Peoples R China;

Fudan Univ Inst Modern Phys Shanghai 200433 Peoples R China;

Fudan Univ Dept Opt Sci &

Engn Shanghai 200433 Peoples R China;

Fudan Univ Inst Modern Phys Shanghai 200433 Peoples R China;

展开▼
收录信息
原文格式 PDF
正文语种 eng
中图分类化学;
关键词

相似文献

外文文献
中文文献
专利

1. The effects of He clusters on the mechanical properties of Ti(3)AC(2) (A = Ge, Si): first-principles studies [J] . Song Quan, Zhang Peng, Zhuang Jun, RSC Advances . 2017,第76期

机译：他簇对Ti（3）AC（2）（A = GE，SI）的机械性能的影响：第一原理研究
2. First-principle investigation of pressure and temperature influence on structural, mechanical and thermodynamic properties of Ti(3)AC(2) (A = Al and Si) [J] . Zhao Yuhong, Deng Shijie, Liu Hu, Computational Materials Science . 2018,第期

机译：Ti（3）AC（2）（A = Al和Si）的第一原理调查压力和温度对结构，机械和热力学性能的影响
3. Chemical Bonding And Mechanical Properties Of M_2ac (m = Ti, V, Cr, A = Al, Si, P, S) Ceramics From First-principles Investigations [J] . Ting Liao, Jingyang Wang, Yanchun Zhou Journal of Materials Research . 2009,第2期

机译：通过第一性原理研究M_2ac（m = Ti，V，Cr，A = Al，Si，P，S）陶瓷的化学键合和力学性能
4. Effects of Ti on Electronic Structure and Mechanical Property of Uranium: a First-Principles Study [C] . Jianbo Qi, Yonggang Ren, Guangxin Wu, TMS annual meeting exhibition . 2012

机译：钛对铀电子结构和力学性能的影响：第一性原理研究
5. Evaluating sol-gel ceramic thin films for metal implant applications: A study on the processing and mechanical properties of zirconia films on Ti6Al4V [D] . Filiaggi, Mark Joseph. 1995

机译：评估用于金属植入物的溶胶-凝胶陶瓷薄膜：Ti6Al4V上氧化锆薄膜的加工和力学性能研究
6. Insights into the Impact of Yttrium Doping at theBa and Ti Sites of BaTiO3 on the Electronic Structuresand Optical Properties: A First-Principles Study [O] . Adil Alshoaibi, Mohammed Benali Kanoun, Bakhtiar Ul Haq, 2020

机译：洞察钇掺杂的影响电子结构上BaTiO3的Ba和Ti位和光学性质：第一性原理研究
7. First-Principles Study into the Effect of Substitutional Al Alloying on the Mechanical Properties and Electronic Structure of D8₈-Ti₅Si₃ [O] . HUANG Hao-Jie, XU Jiang 2015

机译：第一原理研究取代Al合金化对D8 _{8 -ti 5 si _{3 的电子结构的影响}}
8. Mechanical Properties of Annealed and Martensitic Ti-6Al-4V. (A.) Microstructure of Solution Treated Ti-6Al-4V. (B.) A Study of Fatigue Damage with Ultrasonic Internal Friction Measurements. (C.). [R] . Gilmore, C. M., Imam, M. A. 1976

机译：退火和马氏体Ti-6al-4V的力学性能。（a.）溶液处理的Ti-6al-4V的微观结构。（B.）超声波内摩擦测量疲劳损伤的研究。（C。）。

The effects of He clusters on the mechanical properties of Ti(3)AC(2) (A = Ge, Si): first-principles studies

摘要

著录项

相似文献

相关主题

期刊订阅