MOLECULAR DYNAMICS SIMULATION OF THERMALLY INDUCED MARTENSITIC TRANSFORMATIONS IN NiAl

Acta Metall Sin

1996, Vol. 32

Issue (7): 685-694 DOI:

Current Issue | Archive | Adv Search

MOLECULAR DYNAMICS SIMULATION OF THERMALLY INDUCED MARTENSITIC TRANSFORMATIONS IN NiAl

SHA Xianwei; ZHANG Xiumu; CHEN Kuiying; LI Yiyi(Institute of Metal Research;Chinese Academy of Sciences; Shenyang 110015)(Manuscript received 1995-12-14)

Cite this article:

SHA Xianwei; ZHANG Xiumu; CHEN Kuiying; LI Yiyi(Institute of Metal Research;Chinese Academy of Sciences; Shenyang 110015)(Manuscript received 1995-12-14). MOLECULAR DYNAMICS SIMULATION OF THERMALLY INDUCED MARTENSITIC TRANSFORMATIONS IN NiAl. Acta Metall Sin, 1996, 32(7): 685-694.

Download:

PDF(868KB)
Export: BibTeX | EndNote (RIS)

Abstract In order to study the microscopic mechanism of martensitic nucleation and growth proeesses, molecular dynamics simulation of thermally induced martensitic transformation in stoichiometric NiAl alloy with B2 structure has been perfomied via the embedded atom method interatomic potential of NiAl alloy. The phase stability analysis of NiAl at 0 K and constant volume shows that an ordered bct structure with a ratio of lattice parameters of about 1.31 is stable while B2 structure is just metastable. The results of the simulations clearly show that only at some special sites caused by different vibrational properties of Ni and Al atoms the themially induced martensites can nucleate heterogeneously, and this has been further proved by simulations of two other systems with different initial configures. By calculating mean square displacements of Ni and Al atoms in NiAl, the reason of heterogeneous nucleation has been explained. Austenite transformed finally to fct L1_0 martensites, and during the martensite growth processes many transformation twins have formed in martensite.Correspondent: SHA Xianwei, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110015

Key words: martensitic transformations molecular dynamics simulation embedded atom method NiAl

Received: 18 July 1996

	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/Y1996/V32/I7/685

1RirkinJA,ClappPC．JPhysique,1982,43:1542YuZhenghong,ClappPC．MetallTrans,1989,20A:16163ClappPC,BecquartCS,KimD,ShaoY,RifkinJA．JMaterSciTech,1993,9:3554ClappPC,ShaoY,RirkinJA．MatelResSocsympProc,1992;246:675DawMS,BaskesMI．PhysRevLet,1983,50:12856DawMS,BaskesMI．PhysRevB,1984,29:64437EnamiK,NagasawaA,NennoS．ScrMetall,1978;12:2238ChandrasekaranM,MukherjeeK．MatelSciEng,1974,13:1979ChengTianyi．ScrMetall,1994,30:33110SchryversD,TannerLE．Ultramicroscopy,1990,32:24111MutoS,SchryversD,MerkN,TannerLE．ActaMetallMater,1993,41237712SchryversD．PhilMagA,1993,68:101713HeennannDW．ComputerSimulattonMethodsinTheoreticalPhysics2nd,NewYork,Berlin,Heidelberg:Springer-Verlag,199014VoterAF,ChenSP．MatelResSocsymp,1987,82:17515ChenSP,SrolovitzDJ,VoterAF．JMaterRes,1989;4:6216RoseJH,SmithJR,GuineaF,FerranteJ．PhysRevB,1984,29:2963

[1]	LIU Ze, NING Hanwei, LIN Zhangqian, WANG Dongjun. Influence of Spark Plasma Sintering Parameters on the Microstructure and Room-Temperature Mechanical Properties of NiAl-28Cr-5.5Mo-0.5Zr Alloy[J]. 金属学报, 2021, 57(12): 1579-1587.
[2]	LIANG Jinjie, GAO Ning, LI Yuhong. Interaction Between Interstitial Dislocation Loop and Micro-Crack in bcc Iron Investigated by Molecular Dynamics Method[J]. 金属学报, 2020, 56(9): 1286-1294.
[3]	ZHOU Xia,LIU Xiaoxia. Mechanical Properties and Strengthening Mechanism of Graphene Nanoplatelets Reinforced Magnesium Matrix Composites[J]. 金属学报, 2020, 56(2): 240-248.
[4]	Haifeng ZHANG, Haile YAN, Nan JIA, Jianfeng JIN, Xiang ZHAO. Exploring Plastic Deformation Mechanism of MultilayeredCu/Ti Composites by Using Molecular Dynamics Modeling[J]. 金属学报, 2018, 54(9): 1333-1342.
[5]	Jianxue LIU, Wenjun XI, Neng LI, Shujie LI. Effect of Interfacial Energy on Distribution of Nanoparticle in the Melt During the Preparation of Fe-Based ODS Alloys by Thermite Reaction[J]. 金属学报, 2017, 53(8): 1011-1017.
[6]	Likui NING,Jian TONG,Enze LIU,Zheng TAN,Huisi JI,Zhi ZHENG. Effect of Ru on the Solidification Microstructure of a Ni-Based Single Crystal Superalloy with High Cr Content[J]. 金属学报, 2017, 53(4): 423-432.
[7]	Qin SHEN,Xiaojiao WANG,Anyu ZHAO,Yifeng HE,Xulei FANG,Jiarong MA,Wenqing LIU. EFFECTS OF Mn ON MULTI-PRECIPITATES EVOLUTION OF Cu-RICH AND NiAl PHASE IN STEELS[J]. 金属学报, 2016, 52(5): 513-518.
[8]	Liyuan SHENG,Jianting GUO,Chen LAI,Tingfei XI. EFFECT OF Zr ADDITION ON MICROSTRUCTURE AND MECHANICAL PROPERTIES OF NiAl/Cr(Mo) BASE EUTECTIC ALLOY[J]. 金属学报, 2015, 51(7): 828-834.
[9]	WANG Xing, XI Wenjun, CUI Yue, LI Shujie. MICROSTRUCTURE EVOLUTION MECHANISM AND MECHANICAL PROPERTIES OF FeNiCrAl ALLOY REINFORCED BY COHERENT NiAl SYNTHE- SIZED BY THERMITE PROCESS[J]. 金属学报, 2015, 51(4): 483-491.
[10]	LIANG Li, MA Mingwang, TAN Xiaohua, XIANG Wei, WANG Yuan, CHENG Yanlin. A SIMULATION STUDY OF MECHANICAL PROPER-TIES OF METAL Ti SAMPLE WITH DEFECTS[J]. 金属学报, 2015, 51(1): 107-113.
[11]	YUAN Chao, ZHOU Lanzhang, LI Gusong, GUO Jianting. CHARACTERISTICS OF A NiAl EUTECTIC ALLOY JJ—3 WITH EXCELLENT PROPERTIES[J]. 金属学报, 2013, 49(11): 1347-1355.
[12]	SHENG Liyuan, ZHANG Wei, LAI Chen, GUO Jianting,XI Tingfei, YE Hengqiang. MICROSTRUCTURE AND MECHANICAL PROPERTIES OF LAVES PHASE STRENGTHENING NiAl BASE COMPOSITE FABRICATED BY RAPID SOLIDIFICATION[J]. 金属学报, 2013, 49(11): 1318-1324.
[13]	WANG Zhensheng, ZHANG Meng'en, YANG Shuangshuang, GUO Jianting, ZHOU Lanzhang, CHEN Zhigang. MICROSTRUCTURE, MECHANICAL, FRICTION AND WEAR PROPERTIES OF NiAl－2.5Ta－7.5Cr－1B ALLOY[J]. 金属学报, 2013, 49(11): 1325-1332.
[14]	HOU Jieshan, ZHOU Lanzhang, GUO Jianting, YUAN Chao. APPLICATION OF ARTIFICIAL NEURAL NETWORK FOR PREDICTION OF SUPERPLASTIC BEHAVIOUR IN NiAl ALLOYS[J]. 金属学报, 2013, 49(11): 1333-1338.
[15]	MO Yunfei, LIU Rangsu, LIANG Yongchao, ZHENG Naichao, ZHOU Lili,TIAN Zean, PENG Ping. MOLECULAR DYNAMICS SIMULATION ON THE EVOLUTION OF MICROSTRUCTURES OF LIQUID Zn_xAl_100−x ALLOYS DURING RAPID SOLIDIFICATION[J]. 金属学报, 2012, 48(8): 907-914.

No Suggested Reading articles found!

Viewed

Full text

Abstract

Cited

Shared

Discussed