Molecular Dynamics Study of Grain-Boundary-Induced Melting in B2 NiAl Using a Many-body Potential

Abstract

Abstract: The role of grain-boundary (GB) in the melting for å=5 bicrystals of B2 NiAl is investigated by molecular-dynamics simulation. The thermodynamic properties of the boundary are monitored over a wide temperature range including the thermodynamic melting point Tm, which is determined by using a many-body potential fitted to NiAl. A thermal disorder transition in the GB region occurs well below the melting point. Our results indicate that such a transition is a continuous process and there is no evidence of premelting, which is entirely in accord with experimental results and theoretical prediction. Moreover, we also find that the superheated temperature range of this intermetallic alloy is much wider than that of some elemental metals.

Key words:

Shijin ZHAO, Douxing LI, Shaoqing WANG, Lianlong HE, Hengqiang YE, Jianqiang YOU, Qibin YANG. Molecular Dynamics Study of Grain-Boundary-Induced Melting in B2 NiAl Using a Many-body Potential[J]. J Mater Sci Technol, 1999, 15(04): 323-327.

[1]	Hui Liu, Rui Liu, Ihsan Ullah, Shuyuan Zhang, Ziqing Sun, Ling Ren, Ke Yang. Rough surface of copper-bearing titanium alloy with multifunctions of osteogenic ability and antibacterial activity [J]. J. Mater. Sci. Technol., 2020, 48(0): 130-139.
[2]	H.F. Zhang, H.L. Yan, H. Yu, Z.W. Ji, Q.M. Hu, N. Jia. The effect of Co and Cr substitutions for Ni on mechanical properties and plastic deformation mechanism of FeMnCoCrNi high entropy alloys [J]. J. Mater. Sci. Technol., 2020, 48(0): 146-155.
[3]	Zhaozhao Wang, Jia Li, Junjun Xu, Jinhua Huang, Ye Yang, Ruiqin Tan, Guofei Chen, Xingzhong Fang, Yue Zhao, Weijie Song. Robust ultrathin and transparent AZO/Ag-SnO_x/AZO on polyimide substrate for flexible thin film heater with temperature over 400 °C [J]. J. Mater. Sci. Technol., 2020, 48(0): 156-162.
[4]	J.J.J. Nivas, E. Allahyari, A. Vecchione, Q. Hao, S. Amoruso, X. Wang. Laser ablation and structuring of CdZnTe with femtosecond laser pulses [J]. J. Mater. Sci. Technol., 2020, 48(0): 180-185.
[5]	Y.Z. Tian, Y.P. Ren, S. Gao, R.X. Zheng, J.H. Wang, H.C. Pan, Z.F. Zhang, N.T suji, G.W. Qin. Two-stage Hall-Petch relationship in Cu with recrystallized structure [J]. J. Mater. Sci. Technol., 2020, 48(0): 31-35.
[6]	Heng Chen, Zifan Zhao, Huimin Xiang, Fu-Zhi Dai, Wei Xu, Kuang Sun, Jiachen Liu, Yanchun Zhou. High entropy (Y_0.2Yb_0.2Lu_0.2Eu_0.2Er_0.2)₃Al₅O₁₂: A novel high temperature stable thermal barrier material [J]. J. Mater. Sci. Technol., 2020, 48(0): 57-62.
[7]	Enze Zhou, Jianjun Wang, Masoumeh Moradi, Huabing Li, Dake Xu, Yuntian Lou, Jinheng Luo, Lifeng Li, Yulei Wang, Zhenguo Yang, Fuhui Wang, Jessica A. Smith. Methanogenic archaea and sulfate reducing bacteria induce severe corrosion of steel pipelines after hydrostatic testing [J]. J. Mater. Sci. Technol., 2020, 48(0): 72-83.
[8]	Jiangguli Peng, Wenbin Liu, Jiangtao Zeng, Liaoying Zheng, Guorong Li, Anthony Rousseau, Alain Gibaud, Abdelhadi Kassiba. Large electromechanical strain at high temperatures of novel <001> textured BiFeGaO₃-BaTiO₃ based ceramics [J]. J. Mater. Sci. Technol., 2020, 48(0): 92-99.
[9]	Li Zhang, Zhong Xu, Jia Han, Lei Liu, Cong Ye, Yi Zhou, Wen Xiong, Yanxin Liu, Gang He. Resistive switching performance improvement of InGaZnO-based memory device by nitrogen plasma treatment [J]. J. Mater. Sci. Technol., 2020, 49(0): 1-6.
[10]	Xiao-Yuan Wang, Yu-Fei Wang, Cheng Wang, Shun Xu, Jian Rong, Zhi-Zheng Yang, Jin-Guo Wang, Hui-Yuan Wang. A simultaneous improvement of both strength and ductility by Sn addition in as-extruded Mg-6Al-4Zn alloy [J]. J. Mater. Sci. Technol., 2020, 49(0): 117-125.
[11]	Jing Xu, Zhouping Wang, Yongfa Zhu. Highly efficient visible photocatalytic disinfection and degradation performances of microtubular nanoporous g-C₃N₄ via hierarchical construction and defects engineering [J]. J. Mater. Sci. Technol., 2020, 49(0): 133-143.
[12]	Zhiliang Jin, Lijun Zhang. Performance of Ni-Cu bimetallic co-catalyst g-C₃N₄ nanosheets for improving hydrogen evolution [J]. J. Mater. Sci. Technol., 2020, 49(0): 144-156.
[13]	Zhuowei Tan, Liuyang Yang, Dalei Zhang, Zhenbo Wang, Frank Cheng, Mingyang Zhang, Youhai Jin. Development mechanism of internal local corrosion of X80 pipeline steel [J]. J. Mater. Sci. Technol., 2020, 49(0): 186-201.
[14]	Ying-Jun Gao, Qian-Qian Deng, Zhe-yuan Liu, Zong-Ji Huang, Yi-Xuan Li, Zhi-Rong Luo. Modes of grain growth and mechanism of dislocation reaction under applied biaxial strain: Atomistic and continuum modeling [J]. J. Mater. Sci. Technol., 2020, 49(0): 236-250.
[15]	Yanke Liu, Yulong Cai, Chenggang Tian, Guoliang Zhang, Guoming Han, Shihua Fu, Chuanyong Cui, Qingchuan Zhang. Experimental investigation of a Portevin-Le Chatelier band in Ni‒Co-based superalloys in relation to γʹ precipitates at 500 ℃ [J]. J. Mater. Sci. Technol., 2020, 49(0): 35-41.

Molecular Dynamics Study of Grain-Boundary-Induced Melting in B2 NiAl Using a Many-body Potential

RichHTML

PDF (PC)

Knowledge

Abstract

Cite this article

share this article

References

Related Articles 15

Recommended Articles

Metrics

Comments