简要介绍和评述了电子、原子和微米尺度层次上的计算模拟方法,在此基础上按照各个尺度层次上的金属高温氧化的主要方向综述了国内外的计算模拟研究进展,主要涉及初期氧化微观过程与膜结构、活性元素效应(REE)机理、扩散与氧化动力学和氧化膜内应力形成与释放四个方面,包括作者开展的一些工作.
参考文献
| [1] | DierkRaabe[德],项金钟,吴兴惠译.计算材料学[M].北京:化学工业出版社,2002. |
| [2] | Frenkel＆Smit[荷],汪文川等译.分子模拟[M].北京:化学工业出版社,2002. |
| [3] | A Esteve, M D Rouhani, Ph Faurous. Modeling of the silicon(100) thermal oxidation:from quantum to macroscopic formulation [J]. Materials Science in Semicondoctor Processing,2000, 3: 47. |
| [4] | A Esteve, M D Rouhani, D Esteve. Modeling methodology of silicon oxidation from quantum calculation to Monte Carlo level[J]. Microelectronics Reliability, 1999, 39: 275. |
| [5] | T Uchiyama, T Uda, K Terakuru. Initial oxide - growth process on Si(100) surface[J]. Surface Science, 1999, 433 ～435:896. |
| [6] | V Isabella Pazzi, P H T Philipsen, E J Baerends et al. Oxygen adsorption on Ag (110): density functional theory band structure calculation and dynamical simulations[J ]. Surface Science,1999,443(1) :1. |
| [7] | T Sasaki, T Ohno. Adsorption of the oxygen to the Al (111)surface[J]. Computational Materials Science, 1999,14: 8. |
| [8] | R K Kalia, T J Cambell, A Chatterjee et al. Multiresolution algorithms for massively parallel molecular dynamics simulations of nanostructured materials[J ]. Computer Physics Communications, 2000,128:245. |
| [9] | R Chakarova, D E Oner, I Zoric et al. Monte Carlo simulation of initial Al(111) oxidation[J]. Surface Science, 2001, 472:63. |
| [10] | P Y Hou. Beyond the Sulfur Effect[J]. Oxidation of Metals,1999, 52(3) :337. |
| [11] | A Paul, J A Odriozola, M A San Miguel et al. Experimental and molecular dynamics simulation analysis of LaCrO3 precipitation in chromia scale[ J ]. Acta Mater., 2000, 48: 2951. |
| [12] | D J Harris, J H Harding, G W Watson. Computer simulation of the reactive element effect in NiO grain boundaries[J]. Acta Mater., 2000, 48: 3039. |
| [13] | L Zhou, X Wei, A Randomwalk - Cellular Automaton model of precipitation of internal oxides in alloys [J]. Script. Mater.,1997, 37:1483. |
| [14] | Lzhou, X Wei, A Randomwalk - Cellular Aotomaton simulation of internal oxidation and its transition to external oxidation[J]. Script. Mater., 1999, 40: 365. |
| [15] | C- J Wang, Y - C Chang. TEM study of internal oxidation of Fe- Mn - Al - C alloy[J]. Oxidation of Metals, 2002, 57(3):363. |
| [16] | S Geng, F Wang, S Zhu. High - temperature oxidation behavior of sputtered IN 738 nanocrystalline coating[J]. Oxidation of Metals, 2002, 57(3) :231. |
| [17] | L Zhou, X Wei. A simulation study of varying nitrogen potential on behaviour of precipitation in nitridation of alloys[J].Computational Materials Science, 2002, 23: 204. |
| [18] | 魏秀琴,邓章铭,周浪.合金钢渗氮与氮化物沉淀过程的元胞自动机模拟[J].材料科学与工程学报,2003,21(6):879. |
| [19] | L Zhou. A Monte-Carlo simultion study of the minimum time required for formation of stable oxide scale in oxidation of alloys[J ]. Computational Materials Science, 1997, 7: 336. |
| [20] | L Salles- Desvignes, T Montesin, C Valot et al. Near-Coincidence Lattice Method for the determination of epitaxy strains during oxidation of metals[J]. Acta Mater., 2000, 48:1505. |
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