相图计算已经成为材料设计、冶金和化工等过程模拟的重要工具,越来越受到人们的重视.概述了相图计算(CALPHAD)的发展现状,重点强调了相图计算中描述有序相的模型、量子力学第一性原理与相图计算方法的结合和热力学与动力学的结合,并简要预测了今后相图计算的发展方向.
参考文献
| [1] | Chang Y Austin;Chen Shuanglin;Zhang Fan et al.Phase diagram calculation:past,present and future[J].Progress in Materials Science,2004,49(3-4):313. |
| [2] | 许涛,李麟,王佩玲,Omer Van Der Biest,Jef Vlengels.含氧化锆的氧化物系统计算相图研究与进展[J].无机材料学报,2002(03):399-406. |
| [3] | Saunders N;Miodownik A P.CALPHAD-calculation of phase diagrams,a comprehensive guide[M].Oxford:Pergamon,Elsevier Science,1998 |
| [4] | 希拉特;赖和怡;刘国勋.合金热力学和扩散[M].北京:冶金工业出版社,1984 |
| [5] | Thompson W T;Eriksson G;Bale C W.Applications of F* A* C* T in high temperature materials chemistry[M].Electrochemical Society,Inc (USA),1997:16. |
| [6] | Davies RH.;Dinsdale AT.;Gisby JA.;Robinson JAJ.;Martin SM. .MTDATA - Thermodynamic and phase equilibrium software from the National Physical Laboratory[J].Calphad: Computer Coupling of Phase Diagrams and Thermochemistry,2002(2):229-271. |
| [7] | Lukas H L;Weiss J;Henig E Th .Strategies for the calculation of phase diagrams[J].Calphad-Computer Coupling of Phase Diagrams and Thermochemistry,1982,6(03):229. |
| [8] | Sundman B;Janson B;Andesson J O .The THERMOCALC Databank System[J].CALPHAD-Computer Coupling of Phase Diagrams and Thermochemistry,1985,9(02):153. |
| [9] | Eriksson G;Hack K .ChemSage-A computer program for the calculation of complex chemical equilibria[J].Metallurgical and Materials Transactions B:Process Metallurgy and Materials Processing Science,1990,21B(06):1013. |
| [10] | WinPhad software for binary phase diagram calculation by Compu Therm,LLC,437 S.Yellowstone Dr[M].Madison,WI,1998 |
| [11] | PANDAT software for multicomponent phase diagram calculation by computherm,LLC,437 S.Yellowstone Dr[M].Madison,WI,2000 |
| [12] | Zhang F;Huang W;Chang YA .Equivalence of the generalized bond-energy model, the Wagner-Schottky-type model and the compound-energy model for ordered phases[J].Calphad: Computer Coupling of Phase Diagrams and Thermochemistry,1997(3):337-348. |
| [13] | Hillert M .The compound energy formalism[J].Journal of Alloys and Compounds,2001,320:161. |
| [14] | Zhang F;Chen S L;Chang Y A et al.A thermodynamic description of the Ti-Al system[J].Intermetallics,1997,5:471. |
| [15] | Huang W;Chang Y A .A thermodynamic analysis of the Ni-Al system[J].Intermetallics,1998,6:487. |
| [16] | Oates W A;Wenzl H;Mohri T .On putting more physics into CALPHAD solution models[J].Calphad-Computer Coupling of Phase Diagrams and Thermochemistry,1996,20(01):37. |
| [17] | Zhang F;Chen S L;Chang Y A et al.An improved approach for obtaining thermodynamic descriptions of intermetallic phases:application to the Cr-Ta System[J].Intermetallics,2001,9:1079. |
| [18] | Oates W A;Zhang F;Chen S L et al.An improved cluster/site approximation for the entropy of mixing in multi component solid solutions[J].Physical Review B,1999,59B:11221. |
| [19] | Zhang J;Oates W A;Zhang F et al.Cluster/site approximation of the ordering phase diagram for Cd-Mg alloys[J].Intermetallics,2001,9:5. |
| [20] | Hohenberg P;Kohn W .Inhomogeneous electron gas[J].Physical Review,1964,136:B864. |
| [21] | Dreizler R M;Gross E K U.Density Functional Theory[M].Berlin:Springer-Vertag,1990 |
| [22] | Parr R G;Yang W.Density Functional Theory of Atoms and Molecules[M].New York:Oxford,1989 |
| [23] | Kaufman L;Turchi P E A;Huang W et al.Thermodynamics of the Cr-Ta-W system by combining the Ab-initio and CALPHAD methods[J].CALPHAD-Computer Coupling of Phase Diagrams and Thermochemistry,2001,25(03):419. |
| [24] | Colinet C.Phase diagram calculations:contribution of Abinitio and cluster variation methods[A].USA:TMS,2002 |
| [25] | Turchi P E A.Electronic structure alloys and phase diagrams[A].Hokkaido,Japan:Hokkaido University,2003 |
| [26] | Saunders N;Miodownik A P .Use of free energy VS composition curves in the prediction of phase formation in co-deposited alloy thin films[J].CALPHAD-Computer Coupling of Phase Diagrams and Thermochemistry,1985,9(03):283. |
| [27] | Saunders N;Miodownik A P .Phase formation in co-deposited metallic alloy thin films[J].Journal of Materials Science,1987,22(02):629. |
| [28] | Andersson JO.;Helander T.;Hoglund LH.;Shi PF.;Sundman B. .THERMO-CALC & DICTRA, computational tools for materials science[J].Calphad: Computer Coupling of Phase Diagrams and Thermochemistry,2002(2):273-312. |
| [29] | Schwind M;Kallqvist J;Nilsson J O et al.Sigma phase precipitation in stainless steel[J].Acta Materialia,2000,48:2473. |
| [30] | Ekrot h M;Frykholm R;Lindholm M et al.Gradient sintering of cemented carbides[J].Acta Materialia,2000,48:2177. |
| [31] | Campbell C;Boettinger W J .Transient liquid phase binding of alloys[J].Metallurgical and Materials Transactions A:Physical Metallurgy and Materials Science,1991,22A:1745. |
| [32] | 柳春雷,金展鹏,刘华山.相图计算在电子材料焊接中的应用[J].中国有色金属学报,2003(06):1343-1349. |
| [33] | 陈占恒,邢献然,黄小卫,李红卫,陈俊,邓金侠.稀土化合物热力学网络数据库的研究开发[J].稀土,2005(02):48-52. |
上一张
下一张
上一张
下一张
计量
- 下载量()
- 访问量()
文章评分
- 您的评分：
-
10%
-
20%
-
30%
-
40%
-
50%