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Continuous silicon carbide (SiC) fiber-reinforced SiC (SiCf/SiC) composites have been considered to be used as structural materials in advanced nuclear reactors for its excellent properties. Their mechanical properties have been greatly improved during the last decade. But the radiation damage at the SiC and pyrolytic carbon interface would degrade the mechanical integrity of the composites, while the mechanism of degradation is remaining unknown at present. In this study, molecular dynamics simulations have been used to model the irradiation cascade of five SiC/C composite systems. According to the angle between the graphite layer and the interface, the models are marked as M0, M28, M56, M77 and M90, in which the number represents the angle. Forty primary knock-on atoms (PKAs) at different positions in each composite system are used to bombard the interface. In each run a collision cascade may be initiated by giving one of the 40 atoms 1.5 keV kinetic energy. The relationships between the distribution of defects and simulation time and PKA position are systematically studied, and compared with those in bulk SiC, which are marked as MW. Results show that the radiation damage resistance of SiC/C interface is significantly lower than bulk SiC, and the interface structure has an impact on the number of defects. Radial distribution function (RDF) is employed to examine the coordination of interfacial atoms. The results show that the higher the density of graphite atoms in the interface, the larger impact the irradiation on the RDF and coordination.
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Keywords:
- SiC/C interface /
- irradiation /
- molecular dynamics
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[1] [2] Yueh K, Carpenter D, Feinroth H 2010 Nucl. Eng. Intern. 55 14
[3] [4] Snead L L, Katoh Y, Windes W, Smit K 2008 Trans. Ameri. Nucl. Soc. 98 1019
[5] Forsberg C W, Peterson P F, Kochendarfer R A, Areva N P 2008 In Proc. 2008 International Congress on Advances in Nuclear Power Plants, Anaheim, June 8-12, 2008, p8026
[6] [7] Charpentier L, Dawi K, Balat-Pichelin M, Bêche E, Audubert F 2012 Corros. Sci. 59 127
[8] [9] [10] Giancarli L, Golfier H, Nishio S, Raffray R, Wong C, Yamada R 2002 Fusion Eng. Design 61 307
[11] Kohyama A, Konishi S, Kimura A 2005 Nucl. Eng. Des. 37 423
[12] [13] Li W T 2007 Introduction of nuclear material(Beijing: Chemical Industry Press) p446 (in Chinese) [李文埮 2007 核材料导论 (北京: 化学工业出版社) 第446 页]
[14] [15] Nozawa T, Ozawa K, Kondo S, Hinoki T, Katoh Y, Snead L L, Kohyama A 2005 J. ASTM Int. 2 JAI12884
[16] [17] Nozawa T, Katoh Y, Snead L L 2007 J. Nucl. Mater. 367 685
[18] [19] [20] Bai X M, Voter A F, Hoagland R G, Nastasi M, Uberuaga B P 2010 Science 327 1631
[21] [22] Ackland G 2010 Science 327 1587
[23] Wallace J, Chen D, Wang J, Shao L 2013 Nucl. Instrum. Methods. Res. Sect. B 307 81
[24] [25] [26] Li W N, Xue J M, Wang J X, Duan H L 2014 Chin. Phys. B 23 036101
[27] [28] Katoh Y, Ozawa K, Shih C, Nozawa T, Shinavski R J, Hasegawa A, Snead L L 2014 J. Nucl. Mater. 448 448
[29] [30] Tersoff J 1989 Phys. Rev. B 39 5566
[31] Zeigler J F, Biersack J P, Littmark U 1985 The Stopping and Range of Ions in Solids (Vol.1) (New York: Pergamon Press)
[32] [33] [34] Stuart S J, Tutein A B, Harrison J A 2000 J. Chem. Phys. 112 6472
[35] [36] Plimpton S 1995 J. Comp. Phys. 7 1
[37] [38] Humphrey W, Dalke A, Schulten K 1996 J. Mol. Graphics 14 33
[39] Li J 2003 Model. Simul. Mater. Sci. Eng. 11 173
[40] [41] Alexander S 2010 Model. Simul. Mater. Sci. Eng. 18 015012
[42] [43] Wang J W, Shang X C, Lv G C 2011 Mater. Eng. 10 005 (in Chinese) [王建伟, 尚新春, 吕国才 2011 材料工程 10 005]
[44] [45] Yang L, Zu X T, Xiao H Y, Yang S Z, Liu K Z, Gao F 2005 Acta Phys. Sin. 54 4857 (in Chinese) [杨莉, 祖小涛, 肖海燕, 杨树政, 刘柯钊, Gao F 2005 物理学报 54 4857]
[46] [47] Farrell D E 2008 Ph. D. Dissertation (Evanstone: Northwestern University) (in USA)
[48] [49] [50] Liu H M, Fan Y S, Tian S H, Zhou W, Chen X 2012 Acta Phys. Sin. 61 062801 (in Chinese) [刘华敏, 范永胜, 田时海, 周维, 陈旭 2012 物理学报 61 062801]
[51] Devanathan R, Rubia D T, Weber W J 1998 J. Nucl. Mater. 253 47
[52] [53] Swaminathan N, Wojdyr M, Morgan D D, Szlufarska I 2012 J. Appl. Phys. 111 054918
[54] [55] Naslain R R, Pailler R J F, Lamon J L 2010 Int. J. Appl. Ceram. Technol. 7 263
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