Influence of Al2O3 on the oxidation resistance of SiC ceramic: First-principle study and experiment

被引:25
作者
Cheng, Chunyu [1 ]
Li, Hejun [1 ]
Fu, Qiangang [1 ]
Li, Lu [1 ]
Guo, Liping [1 ]
机构
[1] Northwestern Polytech Univ, Shaanxi Key Lab Fiber Reinforced Light Composite, State Key Lab Solidificat Proc, Xian 710072, Shaanxi, Peoples R China
基金
中国国家自然科学基金;
关键词
Al2O3; SiO2; Oxidation; First principle; COATED C/C COMPOSITES; NANOWIRES; SILICA; OXYGEN; CO;
D O I
10.1016/j.corsci.2018.02.009
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
The influence of Al2O3 on the oxidation resistance of SiC was studied by first-principle calculation and oxidation test. The oxidation process of the Al2O3-doped SiC ceramic divides into three stages. At first, Al atom diffuses into the generated SiO2 and substitutes Si atom to form -Al-O-Si- ring. Then, the ring is damaged due to the reaction between the O atom in Al-O bond and CO molecule, causing a CO2 molecule and an O vacancy formation. Finally, once O-2 or another CO molecule approaches O vacancy, -Al-O-O-Si- or -Al-O-C-Si- ring will be formed to recover the network structure of SiO2.
引用
收藏
页码:57 / 63
页数:7
相关论文
共 24 条
[1]   Vacancy trapping behaviors of oxygen in tungsten: A first-principles study [J].
Alkhamees, Abdullah ;
Zhou, Hong-Bo ;
Liu, Yue-Lin ;
Jin, Shuo ;
Zhang, Ying ;
Lu, Guang-Hong .
JOURNAL OF NUCLEAR MATERIALS, 2013, 437 (1-3) :6-10
[2]   Coating formation by plasma electrolytic oxidation on ZC71/SiC/12p-T6 magnesium metal matrix composite [J].
Arrabal, R. ;
Matykina, E. ;
Skeldon, P. ;
Thompson, G. E. .
APPLIED SURFACE SCIENCE, 2009, 255 (09) :5071-5078
[3]   Plasma spray deposition and high temperature characterization of ZrB2-SiC protective coatings [J].
Bartuli, C ;
Valente, T ;
Tului, M .
SURFACE & COATINGS TECHNOLOGY, 2002, 155 (2-3) :260-273
[4]  
Capitani G. C., 2015, AM MINERAL, V92, P403
[5]   Density functional theory study of the chemisorption of CO on Ir/MgO(100) [J].
Chen, Y. C. ;
Song, L. J. ;
Sun, Z. L. .
APPLIED SURFACE SCIENCE, 2011, 257 (15) :6986-6990
[6]   Oxidation and defect control of CVD SiC coating on three-dimensional C/SiC composites [J].
Cheng, LF ;
Xu, YD ;
Zhang, LT ;
Luan, XG .
CARBON, 2002, 40 (12) :2229-2234
[7]   Effect of SiC Nanowires on the Mechanical and Oxidation Protective Ability of SiC Coating for C/C Composites [J].
Chu Yanhui ;
Fu Qiangang ;
Li Hejun ;
Shi Xiaohong ;
Li Kezhi ;
Wen Xue ;
Shang Gunan .
JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 2012, 95 (02) :739-745
[8]   Defects of the SiC/SiO2 interface:: energetics of the elementary steps of the oxidation reaction [J].
Deák, P ;
Gali, A ;
Knaup, J ;
Hajnal, Z ;
Frauenheim, T ;
Ordejón, P ;
Choyke, JW .
PHYSICA B-CONDENSED MATTER, 2003, 340 :1069-1073
[9]   Electronic structure and hyperfine parameters of substitutional Al and P impurities in silica -: art. no. 075208 [J].
Lægsgaard, J ;
Stokbro, K .
PHYSICAL REVIEW B, 2002, 65 (07) :1-10
[10]   Local chemistry of Al and P impurities in silica [J].
Lægsgaard, J ;
Stokbro, K .
PHYSICAL REVIEW B, 2000, 61 (19) :12590-12593