Temperature-Dependent Structural Evolution in Au44Ga56 Liquid Eutectic Alloy

Su, Yu; Wang, Xiaodong; An, Pengfei; Zhang, Jing; Hu, Tiandou; Ren, Yang; Tao, Qian; Cao, Qingping; Zhang, Dongxian; Jiang, Jian-Zhong

doi:10.1021/acs.jpcc.9b06710

Title: Temperature-Dependent Structural Evolution in Au₄₄Ga₅₆ Liquid Eutectic Alloy

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Abstract

We report that temperature-dependent short-range structural evolution of Au₄₄Ga₅₆ liquid eutectic alloy has been studied by in situ extended X-ray absorption fine structure (EXAFS), in situ high-energy X-ray diffraction (HEXRD) together with first-principles molecular dynamics (FPMD) simulations. It is found that the short-range structure of Au₄₄Ga₅₆ liquid strongly inherits the local atomic packing of the AuGa compound. A short-range structural change in Ga-centered clusters is revealed by in situ EXAFS data at the Ga K-edge at about 970 K, while no such change in Au-centered clusters appears at the Au L-III-edge. The in situ HEXRD and FPMD simulations also confirm the existence of a liquid-to-liquid crossover (LLC) in the Au₄₄Ga₅₆ liquid at a temperature range of about 1000-1100 K, mainly lying in the local structural change around Ga atoms. Indeed, the alloys quenched from the liquid phases below 1000 K and above 1100 K exhibit differences in structure and magnetic properties, which opens a possibility to fabricate new materials with different structures and properties in LLC-containing alloys.

Authors:

^[1]; Wang, Xiaodong ^[1]; An, Pengfei ^[2];

^[2]; Hu, Tiandou ^[2];

^[3]; Tao, Qian ^[1]; Cao, Qingping ^[1]; Zhang, Dongxian ^[1];

^[1]

Zhejiang Univ., Hangzhou (China)
Chinese Academy of Sciences (CAS), Beijing (China)
Argonne National Lab. (ANL), Argonne, IL (United States)

Publication Date:: Fri Oct 04 00:00:00 EDT 2019

Research Org.:: Argonne National Lab. (ANL), Argonne, IL (United States)

Sponsoring Org.:: USDOE; National Natural Science Foundation of China (NSFC); National Key Research and Development Program of China; Natural Science Foundation of Zhejiang Province; Fundamental Research Funds for the Central Universities

OSTI Identifier:: 1617894

Grant/Contract Number:: AC02-06CH11357; U1832203; 11975202; 51671169; 51671170; 2016YFB0701203; 2016YFB0700201; 2017YFA0403400; Z1110196; Y4110192; LY15E010003; U1501501

Resource Type:: Accepted Manuscript

Journal Name:: Journal of Physical Chemistry. C

Additional Journal Information:: Journal Volume: 123; Journal Issue: 41; Journal ID: ISSN 1932-7447

Publisher:: American Chemical Society

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE

Citation Formats


                    Su, Yu, Wang, Xiaodong, An, Pengfei, Zhang, Jing, Hu, Tiandou, Ren, Yang, Tao, Qian, Cao, Qingping, Zhang, Dongxian, and Jiang, Jian-Zhong. Temperature-Dependent Structural Evolution in Au44Ga56 Liquid Eutectic Alloy.  United States: N. p., 2019. 
Web.  doi:10.1021/acs.jpcc.9b06710.

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                    Su, Yu, Wang, Xiaodong, An, Pengfei, Zhang, Jing, Hu, Tiandou, Ren, Yang, Tao, Qian, Cao, Qingping, Zhang, Dongxian, & Jiang, Jian-Zhong. Temperature-Dependent Structural Evolution in Au44Ga56 Liquid Eutectic Alloy.  United States.  https://doi.org/10.1021/acs.jpcc.9b06710

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                    Su, Yu, Wang, Xiaodong, An, Pengfei, Zhang, Jing, Hu, Tiandou, Ren, Yang, Tao, Qian, Cao, Qingping, Zhang, Dongxian, and Jiang, Jian-Zhong. Fri .  
"Temperature-Dependent Structural Evolution in Au44Ga56 Liquid Eutectic Alloy".  United States.  https://doi.org/10.1021/acs.jpcc.9b06710.  https://www.osti.gov/servlets/purl/1617894.

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@article{osti_1617894,

  title        = {Temperature-Dependent Structural Evolution in Au44Ga56 Liquid Eutectic Alloy},

  author       = {Su, Yu and Wang, Xiaodong and An, Pengfei and Zhang, Jing and Hu, Tiandou and Ren, Yang and Tao, Qian and Cao, Qingping and Zhang, Dongxian and Jiang, Jian-Zhong},

  abstractNote = {We report that temperature-dependent short-range structural evolution of Au44Ga56 liquid eutectic alloy has been studied by in situ extended X-ray absorption fine structure (EXAFS), in situ high-energy X-ray diffraction (HEXRD) together with first-principles molecular dynamics (FPMD) simulations. It is found that the short-range structure of Au44Ga56 liquid strongly inherits the local atomic packing of the AuGa compound. A short-range structural change in Ga-centered clusters is revealed by in situ EXAFS data at the Ga K-edge at about 970 K, while no such change in Au-centered clusters appears at the Au L-III-edge. The in situ HEXRD and FPMD simulations also confirm the existence of a liquid-to-liquid crossover (LLC) in the Au44Ga56 liquid at a temperature range of about 1000-1100 K, mainly lying in the local structural change around Ga atoms. Indeed, the alloys quenched from the liquid phases below 1000 K and above 1100 K exhibit differences in structure and magnetic properties, which opens a possibility to fabricate new materials with different structures and properties in LLC-containing alloys.},

  doi          = {10.1021/acs.jpcc.9b06710},

  journal      = {Journal of Physical Chemistry. C},

  number       = 41,

  volume       = 123,

  place        = {United States},

  year         = {Fri Oct 04 00:00:00 EDT 2019},

  month        = {Fri Oct 04 00:00:00 EDT 2019}

}

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Title: Temperature-Dependent Structural Evolution in Au44Ga56 Liquid Eutectic Alloy

Abstract

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Title: Temperature-Dependent Structural Evolution in Au₄₄Ga₅₆ Liquid Eutectic Alloy