FIRST-PRINCIPLES INVESTIGATION OF β PHASE STABILITY AND ELASTIC PROPERTY OF Ti-Mo ALLOYS

Acta Metall Sin

2008, Vol. 44

Issue (1): 19-22 DOI:

Research Articles

Current Issue | Archive | Adv Search

FIRST-PRINCIPLES INVESTIGATION OF β PHASE STABILITY AND ELASTIC PROPERTY OF Ti-Mo ALLOYS

上海交通大学材料学院

Cite this article:

. FIRST-PRINCIPLES INVESTIGATION OF β PHASE STABILITY AND ELASTIC PROPERTY OF Ti-Mo ALLOYS. Acta Metall Sin, 2008, 44(1): 19-22 .

Download:

PDF(157KB)
Export: BibTeX | EndNote (RIS)

Abstract The energetic, electronic structure and elastic property of the Ti-Mo binary alloys with Mo contents ranging from 4.17 at.% to 37.5 at.% were calculated using the method of supercell and augmented plane waves plus local orbitals within generalized gradient approximation. Based on the calculated results, the influences of Mo contents on the β phase stability and elastic property of Ti-Mo alloys were investigated. The results showed that the β phase stability, tetragonal shear constant C', bulk modulus, Young's modulus and shear modulus of Ti-Mo alloys increase monotonously with an increasing of Mo contents. The Ti-Mo alloy achieves low phase stability and low elastic modulus when the tetragonal shear constant C' reaches nearly zero.

Key words: Ti-Mo alloy phase stability elastic property first-principles

Received: 25 April 2007

ZTFLH:

TG146.2

	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/Y2008/V44/I1/19

[1]Ozaki T,Matsumoto H,Watanabe S,Hanada S.Mater Trans,2004;45:2776
[2]Zhou T,Aindow M,Alpay S P,Blackburn M J,Wu M H. Scr Mater,2004;50:343
[3]Hao Y L,Li S J,Sun S Y,Zheng C Y,Hu Q M,Yang R. Appl Phys Lett,2005;87:091906
[4]Miyazaki S,Kim H Y,Hosoda H.Mater Sci Eng,2006; A438-440:18
[5]Kim H Y,Ikehara Y,Kim J I,Hosoda H,Miyazaki S.Acta Mater,2006;54:2419
[6]Kuroda D,Niinomi M,Morinaga M,Kato Y,Yashiro T. Mater Sci Eng,1998;A243:244
[7]Ikehata H,Nagasako N,Furuta T,Fukumoto A,Miwa K, Saito T.Phys Rev,2004;70B:174113
[8]Schwarz K,Blaha P,Madsen G K H.Comput Phys Com- mun,2002;147(1-2):71
[9]Bl(?)chl P E,Jepsen O,Anderson O K.Phys Rev,1994; 49B:16223
[10]Mehl M J,Klein B M,Papaconstantopoulos D A.In: Westbrook J H,Fleischer R L,eds.,Intermatllic Com- pounds,Volol,Principles,London:John Wiley & Sons Ltd,1994:195
[11]Anderson O L.J Phys Chem Solids,1963;24:909
[12]Born M,Huang K.Dynamical Theory of Crystal Lattices. Oxford:Clarendon Press,1954:141
[13]Li T S,Morris J W,Nagasako N,Kuramoto S,Chrzan D C.Phys Rev Lett,2007;98:105503
[14]Ho W F,Ju C P,Chen L J H.Biomaterials,1999;20: 2115{

[1]	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.
[2]	WANG Shuo, WANG Junsheng. Structural Evolution and Stability of the δ′/θ′/δ′ Composite Precipitate in Al-Li Alloys: A First-Principles Study[J]. 金属学报, 2022, 58(10): 1325-1333.
[3]	ZHAO Yuhong, JING Jianhui, CHEN Liwen, XU Fanghong, HOU Hua. Current Research Status of Interface of Ceramic-Metal Laminated Composite Material for Armor Protection[J]. 金属学报, 2021, 57(9): 1107-1125.
[4]	ZHANG Haijun, QIU Shi, SUN Zhimei, HU Qingmiao, YANG Rui. First-Principles Study on Free Energy and Elastic Properties of Disordered β-Ti₁_-_xNb_x Alloy: Comparison Between SQS and CPA[J]. 金属学报, 2020, 56(9): 1304-1312.
[5]	GAO Xiang, ZHANG Guikai, XIANG Xin, LUO Lizhu, WANG Xiaolin. Effects of Alloying Elements on the Adsorption of Oxygen on V(110) Surfaces: A First-Principles Study[J]. 金属学报, 2020, 56(6): 919-928.
[6]	Jing BAI, Shaofeng SHI, Jinlong WANG, Shuai WANG, Xiang ZHAO. First-Principles Calculations of Phase Stability and Magnetic Properties of Ni-Mn-Ga-Ti FerromagneticShape Memory Alloys[J]. 金属学报, 2019, 55(3): 369-375.
[7]	Caihong DONG, Yongli LIU, Yang QI. Effect of Thickness on the Surface and Electronic Properties of Bi Film[J]. 金属学报, 2018, 54(6): 935-942.
[8]	Yuchao FENG, Weiwei XING, Shoulong WANG, Xingqiu CHEN, Dianzhong LI, Yiyi LI. First-Principles Study of Hydrogen Behaviors at Oxide/Ferrite Interface in ODS Steels[J]. 金属学报, 2018, 54(2): 325-338.
[9]	Ronghua CUI, Xinyu WANG, Zhengchao DONG, Chonggui ZHONG. First Principles Study on Elastic and Thermodynamic Properties of Mg_1-_xZn_x Alloys[J]. 金属学报, 2017, 53(9): 1133-1139.
[10]	Jing BAI,Ze LI,Zhen WAN,Xiang ZHAO. A First-Principles Study on Crystal Structure, Phase Stability and Magnetic Properties of Ni-Mn-Ga-Cu Ferromagnetic Shape Memory Alloys[J]. 金属学报, 2017, 53(1): 83-89.
[11]	SHAN Linting, BA Dechun, CAO Qing, HOU Xueyan, LI Jianchang. EFFECT OF Ce-Cu CODOPING ON OPTOELECTRONIC PROPERTY OF SnO₂ FILM[J]. 金属学报, 2014, 50(1): 95-102.
[12]	ZHANG Xudong, WANG Shaoqing. FIRST-PRINCIPLES INVESTIGATION OF THE THERMODYNAMICS PROPERTIES OF Al₃Sc AND Al₃Zr INTERMETALLICS[J]. 金属学报, 2013, 29(4): 501-505.
[13]	LI Honglin, ZHANG Zhong, LU Yingbo, HUANG Jinzhao, LIU Ruxi. FIRST-PRINCIPLES AND EXPERIMENTAL STUDY ON THE ELECTRONIC AND OPTICAL PROPERTIES OF Eu DOPED ZnO STRUCTURE[J]. 金属学报, 2013, 29(4): 506-512.
[14]	MAO Pingli, YU Bo, LIU Zheng, WANG Feng, JU Yang. FIRST-PRINCIPLES CALCULATION OF ELECTRONIC STRUCTURE AND ELASTIC PROPERTY OF AB₂TYPE INTERMETALLICS IN Mg-Zn-Ca ALLOY[J]. 金属学报, 2013, 49(10): 1227-1233.
[15]	ZHANG Hui WANG Shaoqing. FIRST-PRINCIPLES STUDY ON THE PHASE STABILITY OF Mg-La AND Mg-Nd BINARY ALLOYS[J]. 金属学报, 2012, 48(7): 889-894.

No Suggested Reading articles found!

Viewed

Full text

Abstract

Cited

Shared

Discussed