Open AccessStudy of the influence mechanism of additional elements on the corrosion behavior of bulk Cu-based amorphous alloys
Author(s) -
Hui Zhou,
Di Wu,
Guoying Zhang,
Xiao Ming-Zhu
Publication year - 2010
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.59.488
Subject(s) - materials science , amorphous metal , amorphous solid , corrosion , alloy , adsorption , oxide , molecular dynamics , chemical engineering , metallurgy , chemical physics , chemistry , crystallography , computational chemistry , physics , engineering
The liquid state Cu-Al alloy system was simulated by using the molecular dynamics method, then Cu-Al amorphous alloy is obtained by cooling process simulation. This article firstly sets up crystalline Cu-Al alloy liquid by using the molecular dynamics. The models of Cu-Al-M bulk amorphous alloys, their clean surfaces and their surfaces with O adsorption are set up by computer programming. The influence mechanism of additional elements Zr, Nb, Ta, V, Y and Sc on the corrosion behavior of bulk Cu-based amorphous alloys are investigated by using real-place recursive method. Results show that the alloying elements do not aggregate on the clean surface of bulk Cu-based amorphous alloys, but tend to aggregate on the surface with O adsorption with the exception of Y, which indicates that the segregation of the bulk Cu-based amorphous alloy surface with O adsorption is reversed. Calculations of the total bond order integral show that additional element can interact with oxygen easily to form oxide film on the surface of Cu-based amorphous alloys, which can improve the corrosion resistance of bulk Cu-based amorphous alloys. The improvement in corrosion resistance of Cu-based metallic glass with Y addition may be due to the aggregation of Y to the interface between alloy and oxide film, which improves the adhesion.