A first-principles study on hot crack mechanism in Mg-Al-Ca alloys

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	A first-principles study on hot crack mechanism in Mg-Al-Ca alloys
	H. Zhang ; S. Q. Wang
刊名	Journal of Materials Research
	2012
卷号	27 期号:12 页码:1631-1637
关键词	functional perturbation-theory az91d alloy laves phase magnesium microstructure calcium state constants equations industry
ISSN号	0884-2914
中文摘要	The use of Mg-Al-Ca alloys is limited mainly due to the hot crack defect. The exact mechanism of hot crack formation is not yet clearly understood. In this article, the hot crack mechanism is established from the present first-principles calculations based on the density functional theory and density functional perturbation theory. The thermal expansion behavior of Mg and the critical compounds Mg2Ca and Al2Ca in Mg-Al-Ca alloys is calculated. According to the present calculations, Mg2Ca is almost equal to Mg in thermal expansion, whereas the same in Al2Ca is much too lower. Al2Ca improves the creep resistance of Mg-Al-Ca alloys due to its high thermal stability, but it also accounts for the hot crack defect due to very small thermal expansion.
原文出处	://WOS:000304916800010
公开日期	2013-02-05
内容类型	期刊论文
源URL	[http://ir.imr.ac.cn/handle/321006/60438]
专题	金属研究所_中国科学院金属研究所
推荐引用方式 GB/T 7714	H. Zhang,S. Q. Wang. A first-principles study on hot crack mechanism in Mg-Al-Ca alloys[J]. Journal of Materials Research,2012,27(12):1631-1637.
APA	H. Zhang,&S. Q. Wang.(2012).A first-principles study on hot crack mechanism in Mg-Al-Ca alloys.Journal of Materials Research,27(12),1631-1637.
MLA	H. Zhang,et al."A first-principles study on hot crack mechanism in Mg-Al-Ca alloys".Journal of Materials Research 27.12(2012):1631-1637.