Effects of temperature and point defects on the stability of C15 Laves phase in iron: A molecular dynamics investigation
文献类型：期刊论文
| 作者 | Wang, Hao1,2; Gao, Ning3; Lu, Guang-Hong1; Yao, Zhong-Wen2 |
| 刊名 | CHINESE PHYSICS B
 |
| 出版日期 | 2018-06 |
| 卷号 | 27期号:6页码:066104 |
| 关键词 | C15 Laves phase stability elastic modulus structural evolution |
| ISSN号 | 1674-1056 |
| DOI | 10.1088/1674-1056/27/6/066104 |
| 英文摘要 | Molecular dynamics simulations are used to investigate the stabilities of C15 Laves phase structures subjected to temperature and point defects. The simulations based on different empirical potentials show that the bulk perfect C15 Laves phase appears to be stable under a critical temperature in a range from 350 K to 450 K, beyond which it becomes disordered and experiences an abrupt decrement of elastic modulus. In the presence of both vacancy and self-interstitial, the bulk C15 Laves phase becomes unstable at room temperature and prefers to transform into an imperfect body centered cubic (BCC) structure containing free vacancies or vacancy clusters. When a C15 cluster is embedded in BCC iron, the annihilation of interstitials occurs due to the presence of the vacancy, while it exhibits a phase transformation into a (1/2)(111) dislocation loop due to the presence of the self-interstitial. |
| WOS关键词 | INTERSTITIAL CLUSTERS ; DISLOCATION LOOPS ; ELASTIC PROPERTIES ; ALPHA-IRON ; BCC IRON ; METALS ; DAMAGE ; MOBILITY ; ENERGY |
| 资助项目 | National Natural Science Foundation of China[11675230] ; National Natural Science Foundation of China[11375242] |
| WOS研究方向 | Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000435919700004 |
| 出版者 | IOP PUBLISHING LTD |
| 源URL | [http://119.78.100.186/handle/113462/56819]  |
| 专题 | 中国科学院近代物理研究所 |
| 作者单位 | 1.Beihang Univ, Sch Phys & Nucl Energy Engn, Beijing 100190, Peoples R China 2.Queens Univ, Mech & Mat Engn, Kinston, ON K7L 3N6, Canada 3.Chinese Acad Sci, Inst Modern Phys, Lanzhou 730000, Gansu, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wang, Hao,Gao, Ning,Lu, Guang-Hong,et al. Effects of temperature and point defects on the stability of C15 Laves phase in iron: A molecular dynamics investigation[J]. CHINESE PHYSICS B,2018,27(6):066104. |
| APA | Wang, Hao,Gao, Ning,Lu, Guang-Hong,&Yao, Zhong-Wen.(2018).Effects of temperature and point defects on the stability of C15 Laves phase in iron: A molecular dynamics investigation.CHINESE PHYSICS B,27(6),066104. |
| MLA | Wang, Hao,et al."Effects of temperature and point defects on the stability of C15 Laves phase in iron: A molecular dynamics investigation".CHINESE PHYSICS B 27.6(2018):066104. |
入库方式： OAI收割
来源：近代物理研究所
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