期刊论文

First-principles Study on the Influence of Alloying Elements on Galvanic Corrosion of Ternary L12-Al-Zr-X Aluminum Alloys Surface

中文

计算物理

1001-246X

2023

40

6

699-711

10.19596/j.cnki.1001-246x.8678

2019JJ40544:湖南省自然科学基金项目 19B587:湖南省教育厅优秀青年项目

本校为第一机构

本文在AlZr二元合金的基础上,利用第一性原理计算方法,全面计算19种L12-AlxZryXz(X=Pd、Pt、Au、K、Rb、Sr...展开更多 本文在AlZr二元合金的基础上,利用第一性原理计算方法,全面计算19种L12-AlxZryXz(X=Pd、Pt、Au、K、Rb、Sr、Ba、Ca、Yb、La、Ce、Y、Er、Sc、Zr、Ti、Cd、Hf、In)三元析出相的(100)、(110)和(111)三种晶面作为表面时的功函数,并分析其与掺杂原子电负性之间的关系,从电子层面阐明掺杂原子对L12型Al-Zr-X三元铝合金表面电偶腐蚀性能影响的根本原因。通过计算发现不同掺杂晶面暴露为表面时,由于功函数各异,与基体的本征电位差也各不相同。Hg、Cd、Zr、Ti和Hf等掺杂原子能增加析出...

The galvanic corrosion of aluminum alloy mainly depends on the potential difference between the second phase and matrix. The greater the potential difference, the stronger the corrosion driving force. Based on AlZr binary alloy, we calculated the work functions of the(1...MORE The galvanic corrosion of aluminum alloy mainly depends on the potential difference between the second phase and matrix. The greater the potential difference, the stronger the corrosion driving force. Based on AlZr binary alloy, we calculated the work functions of the(100),(110) and(111) planes of 19 ternary precipitates...