APPLICATION OF MOLECULAR ORBITAL THEORY TO ANALYSIS OF PHASE STABILITY FOR ALLOYS

Acta Metall Sin

1992, Vol. 28

Issue (11): 1-9 DOI:

Current Issue | Archive | Adv Search

APPLICATION OF MOLECULAR ORBITAL THEORY TO ANALYSIS OF PHASE STABILITY FOR ALLOYS

YIN Hong; TAO Kun; PAN Jinsheng; LI Hengde (Tsinghua University; Beijing)

Cite this article:

YIN Hong; TAO Kun; PAN Jinsheng; LI Hengde (Tsinghua University; Beijing). APPLICATION OF MOLECULAR ORBITAL THEORY TO ANALYSIS OF PHASE STABILITY FOR ALLOYS. Acta Metall Sin, 1992, 28(11): 1-9.

Download:

PDF(787KB)
Export: BibTeX | EndNote (RIS)

Abstract In this paper, the application of molecular orbital theory to the analysis of phase stability of alloys is outlined. The critical M_d values (M-_(dc)) of the γ/(γ+σ),γ/(γ+μ) and γ/(γ+γ') phase boundaries in some ternary alloy phase diagrams at various temperatures are calculated by averaging the M_d values of several selected characteristic points at the phase boundaries. Approximate equations for the temperature dependence of the critical M_d of γ/ (γ+σ), γ/ (γ+μ) and γ/(γ+γ') phase boundaries are established. The accuracy of the analysis is discussed in detail. It is found for the first time that the average value of the bond order, B_o ,at the phase boundaries is also approximately a constant and therefore a critical average bond orderB_(oc). like M_(dc), can be introduced for the analysis of phase stability.

Key words: molecular orbital theory alloy phase stability

Received: 18 November 1992

	Service

	E-mail this article
	Add to citation manager
	E-mail Alert
	RSS
	（）
	Articles by authors

URL:

https://www.ams.org.cn/EN/ OR https://www.ams.org.cn/EN/Y1992/V28/I11/1

1 Hume-Rothery W, Mabbott G W, Channel-Evans K M. Philos Trans R Soc London, 1934; 223A: 1
2 Darken L, Gurry R W. Physical Chemistry of Metals. New York: McGraw-Hill, 1953: 86
3 Decker R F. Proceedings of Steel Streng thening Mechanism Symposium, Zurich, Switzerland, 1969: 1
4 Chelikowsky J R. Phys Rey, 1979; 19B: 686
5 Slater J C. The Calculation of Molecular Oribitals. New York: Wiley, 1979
6 Morinaga M, Yukawa N, Ezaki H. Adachi H. Philos Mag, 1985; 51A: 223
7 Morinaga M, Yukawa N, Ezaki H, Adachi H. Philos Mag, 1985; 51A: 247
8 Morinaga M, Yukawa N. Adachi H. J Phys Soc Jpn, 1984; 53: 653
9 Rivlin V G, Raynor G V. Int Met Rey, 1980; 25: 34 1981; 26: 280 1983; 28: 44, 216, 265 1981; 26: 218, 233 1984; 29: 341, 372 1980; 25:89 1985; 30:199
10 Wada T. In: Metals Handbook, Vol.8: Metallography Structures and Phase Diagrams, 8th ed., Metals Park, Ohio: ASM, 1973: 426
11 Willey L A. In: Metals Handbook, Vol.8: Metallography Structures and Phase Diagrams, 8th ed., Metals Park, Ohio: ASM, 1973: 388

[1]	LU Nannan, GUO Yimo, YANG Shulin, LIANG Jingjing, ZHOU Yizhou, SUN Xiaofeng, LI Jinguo. Formation Mechanisms of Hot Cracks in Laser Additive Repairing Single Crystal Superalloys[J]. 金属学报, 2023, 59(9): 1243-1252.
[2]	WANG Lei, LIU Mengya, LIU Yang, SONG Xiu, MENG Fanqiang. Research Progress on Surface Impact Strengthening Mechanisms and Application of Nickel-Based Superalloys[J]. 金属学报, 2023, 59(9): 1173-1189.
[3]	YUAN Jianghuai, WANG Zhenyu, MA Guanshui, ZHOU Guangxue, CHENG Xiaoying, WANG Aiying. Effect of Phase-Structure Evolution on Mechanical Properties of Cr₂AlC Coating[J]. 金属学报, 2023, 59(7): 961-968.
[4]	FENG Aihan, CHEN Qiang, WANG Jian, WANG Hao, QU Shoujiang, CHEN Daolun. Thermal Stability of Microstructures in Low-Density Ti₂AlNb-Based Alloy Hot Rolled Plate[J]. 金属学报, 2023, 59(6): 777-786.
[5]	WU Xinqiang, RONG Lijian, TAN Jibo, CHEN Shenghu, HU Xiaofeng, ZHANG Yangpeng, ZHANG Ziyu. Research Advance on Liquid Lead-Bismuth Eutectic Corrosion Resistant Si Enhanced Ferritic/Martensitic and Austenitic Stainless Steels[J]. 金属学报, 2023, 59(4): 502-512.
[6]	WEN Donghui, JIANG Beibei, WANG Qing, LI Xiangwei, ZHANG Peng, ZHANG Shuyan. Microstructure Evolution at Elevated Temperature and Mechanical Properties of MoNb-Modified FeCrAl Stainless Steel[J]. 金属学报, 2022, 58(7): 883-894.
[7]	SHEN Guohui, HU Bin, YANG Zhanbing, LUO Haiwen. Influence of Tempering Temperature on Mechanical Properties and Microstructures of High-Al-Contained Medium Mn Steel Having δ-Ferrite[J]. 金属学报, 2022, 58(2): 165-174.
[8]	HUANGFU Hao, WANG Zilong, LIU Yongli, MENG Fanshun, SONG Jiupeng, QI Yang. A First Principles Investigation of W₁_-_x Ir _x Alloys: Structural, Electronic, Mechanical, and Thermal Properties[J]. 金属学报, 2022, 58(2): 231-240.
[9]	NIE Jinfeng, WU Yuli, XIE Kewei, LIU Xiangfa. Microstructure and Thermal Stability of Heterostructured Al-AlN Nanocomposite[J]. 金属学报, 2022, 58(11): 1497-1508.
[10]	MAO Fei, LU Hao, TANG Fawei, GUO Kai, LIU Dong, SONG Xiaoyan. First-Principle Calculation on the Effect of Mn and In on the Structural Stability and Magnetic Moment of SmCo₇ Alloys[J]. 金属学报, 2021, 57(7): 948-958.
[11]	WANG Yihan, YUAN Yuan, YU Jiabin, WU Honghui, WU Yuan, JIANG Suihe, LIU Xiongjun, WANG Hui, LU Zhaoping. Design for Thermal Stability of Nanocrystalline Alloys Based on High-Entropy Effects[J]. 金属学报, 2021, 57(4): 403-412.
[12]	WANG Xiaobo, WANG Yongzhe, CHENG Xudong, JIANG Rong. Thermal Stability of AlCrON-Based Solar Selective Absorbing Coating in Air[J]. 金属学报, 2021, 57(3): 327-339.
[13]	WANG Mingkang, YUAN Junhao, LIU Yufeng, WANG Qing, DONG Chuang, ZHANG Zhongwei. Effect of Ti on β Structural Stability and Mechanical Properties of Zr-Nb Binary Alloys[J]. 金属学报, 2021, 57(1): 95-102.
[14]	PENG Yanyan, YU Liming, LIU Yongchang, MA Zongqing, LIU Chenxi, LI Chong, LI Huijun. Effect of Ageing Treatment at 650 ℃ on Microstructure and Properties of 9Cr-ODS Steel[J]. 金属学报, 2020, 56(8): 1075-1083.
[15]	Yaqiang TIAN,Geng TIAN,Xiaoping ZHENG,Liansheng CHEN,Yong XU,Shihong ZHANG. C and Mn Elements Characterization and Stability of Retained Austenite in Different Locations ofQuenching and Partitioning Bainite Steels[J]. 金属学报, 2019, 55(3): 332-340.

No Suggested Reading articles found!

Viewed

Full text

Abstract

Cited

Shared

Discussed