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Atomic size and chemical effects of alloying elements Cu, Mg and Si on the structure and dynamics of molten 8090-based AlLi alloy
Zhu, Xunming1; Liu, Dan1; Wang, Aimin1; Duan, Junpeng1; Yang, Yuansheng2; Tang, Shouqiu3; Qin, Jingyu4
Corresponding AuthorLiu, Dan(0617082@zju.edu.cn)
2018
Source PublicationINTERNATIONAL JOURNAL OF CAST METALS RESEARCH
ISSN1364-0461
Volume31Issue:2Pages:93-98
AbstractThe structural and dynamical properties of liquid Al91Li9 and Al91Li9M3 (M=Cu, Mg, Si) alloys are investigated by means of ab initio molecular dynamic simulation. Pair distribution function analysis suggests that the atomic distances of Li-Li and Al-Li decrease after addition of alloying elements. The additive Cu and Si are manifested surrounded by Al and Li and hardly meet each other owing to the effects of atom size and their negative mixing enthalpy with Li. The topological environments of Al and Li in Al91Li9 are changed significantly by adding minor alloying elements. The diffusion of Al and Li is hindered by alloying elements, among which Cu and Si play more significant role. Furthermore, the metalloid additive Si illustrates different effects from the metallic additive Cu and Mg on the diffusivity of Al91Li9 liquid alloys.
KeywordAl-Li alloy molecular dynamic simulation liquid alloy short-range order
DOI10.1080/13640461.2017.1371471
Indexed BySCI
Language英语
WOS Research AreaMetallurgy & Metallurgical Engineering
WOS SubjectMetallurgy & Metallurgical Engineering
WOS IDWOS:000428583600005
PublisherTAYLOR & FRANCIS LTD
Citation statistics
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/127737
Collection中国科学院金属研究所
Corresponding AuthorLiu, Dan
Affiliation1.Weihai Wanfeng Magnesium Ind Sci & Technol Dev Co, Weihai, Peoples R China
2.Chinese Acad Sci, Inst Met Res, Shenyang, Liaoning, Peoples R China
3.Shandong Acad Sci, Adv Mat Inst, Jinan, Shandong, Peoples R China
4.Shandong Univ, Minist Educ, Key Lab Liquid Solid Struct Evolut & Proc Mat, Jinan, Shandong, Peoples R China
Recommended Citation
GB/T 7714
Zhu, Xunming,Liu, Dan,Wang, Aimin,et al. Atomic size and chemical effects of alloying elements Cu, Mg and Si on the structure and dynamics of molten 8090-based AlLi alloy[J]. INTERNATIONAL JOURNAL OF CAST METALS RESEARCH,2018,31(2):93-98.
APA Zhu, Xunming.,Liu, Dan.,Wang, Aimin.,Duan, Junpeng.,Yang, Yuansheng.,...&Qin, Jingyu.(2018).Atomic size and chemical effects of alloying elements Cu, Mg and Si on the structure and dynamics of molten 8090-based AlLi alloy.INTERNATIONAL JOURNAL OF CAST METALS RESEARCH,31(2),93-98.
MLA Zhu, Xunming,et al."Atomic size and chemical effects of alloying elements Cu, Mg and Si on the structure and dynamics of molten 8090-based AlLi alloy".INTERNATIONAL JOURNAL OF CAST METALS RESEARCH 31.2(2018):93-98.
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