NiTi合金B2-B19′马氏体相变晶体学的拓扑模拟研究

doi:10.11900/0412.1961.2018.00078

金属学报

2018, Vol. 54

Issue (10): 1461-1470 DOI: 10.11900/0412.1961.2018.00078

本期目录 | 过刊浏览

NiTi合金B2-B19′马氏体相变晶体学的拓扑模拟研究

韦昭召^1,², 马骁²(

), 张新平²

1 五邑大学机电工程学院江门 529020
2 华南理工大学材料科学与工程学院广州 510640

Topological Modelling of the B2-B19' Martensite Transformation Crystallography in NiTi Alloy

Zhaozhao WEI^1,², Xiao MA²(

), Xinping ZHANG²

1 School of Mechanical and Electrical Engineering, Wuyi University, Jiangmen 529020, China
2 School of Materials Science and Engineering, South China University of Technology, Guangzhou 510640, China

引用本文:

韦昭召, 马骁, 张新平. NiTi合金B2-B19′马氏体相变晶体学的拓扑模拟研究[J]. 金属学报, 2018, 54(10): 1461-1470.
Zhaozhao WEI, Xiao MA, Xinping ZHANG. Topological Modelling of the B2-B19' Martensite Transformation Crystallography in NiTi Alloy[J]. Acta Metall Sin, 2018, 54(10): 1461-1470.

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摘要:

运用拓扑模型研究了等原子比NiTi合金B2-B19'马氏体相变晶体学,根据最优扭转角(ω_o)准则计算得到ω_o=-0.969°,并获得了马氏体惯习面指数及母相-马氏体相界面位错结构特征,计算结果与实验测量值非常接近。NiTi合金马氏体相变所产生的相变应变包含一个平行于惯习面的剪切应变和一个垂直于惯习面的轴向应变,轴向应变量表示B2-B19'相变所引起的宏观体积变化为$ε_{33}^{HP}$=6.6879×10^-3,表明NiTi合金的负热膨胀现象来源于合金中马氏体相变所产生的相变应变。

关键词 ：拓扑模型, NiTi合金, 马氏体相变晶体学, 相变应变, 负热膨胀

Abstract：

Some NiTi alloys, generally known as shape memory alloys or smart materials, exhibit larger negative thermal expansion (NTE) strain than that of traditional nonmetallic NTE materials. Furthermore, high strength and better ductility of NiTi alloy make it more advantageous compared to nonmetallic materials. The NTE response of NiTi alloy may be attributed to the transformation strain that originates from the volume change accompanying the B2-B19' martensitic transformation in the alloy. Therefore, it is of great importance and interests to study the martensitic transformation crystallography in NiTi alloy. In this work, the martensitic transformation crystallography in an equiatomic NiTi alloy was investigated by using the topological model, as well as the optimum twist criterion developed lately. The optimum twist angle, ω_o, in NiTi alloy was determined to be -0.969°, and the so-obtained transformation crystallography results, including the habit plane index and parent-martensite orientation relationship, agree well with the corresponding experimental data and theoretical calculations in the literature. Furthermore, the martensitic transformation strain of NiTi alloy was calculated based on the analysis of interfacial dislocation movement, and the total transformation strain can be resolved into an in-habit-plane shear strain and an axial strain perpendicular to the habit plane. In particular, the value of the axial strain that represents the volume change due to the B19' to B2 transformation was found to be negative, indicating that the NiTi alloy shrinks during the reverse martensitic phase transformation when heated, which might shed some light on the relationship between the NTE mechanism and martensitic transformation in NiTi alloy. The measured NTE strain is much smaller than the theoretical calculated phase transformation strain in NiTi alloy, due to the self-accommodation effect of martensite variants and the compensation of transformation strains in polycrystalline materials.

Key words： topological model NiTi alloy martensitic transformation crystallography transformation strain negative thermal expansion

收稿日期: 2018-03-05

ZTFLH:

TG131

基金资助:国家自然科学基金项目No.51571092,广东省自然科学基金项目No.2017A030310657,广东省“创新强校工程”青年创新人才类项目No.2016KQNCX170及五邑大学博士启动基金项目No.2015BS16

作者简介:

作者简介韦昭召,男,1985年生,博士

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https://www.ams.org.cn/CN/10.11900/0412.1961.2018.00078 或 https://www.ams.org.cn/CN/Y2018/V54/I10/1461

图1 拓扑模型中母相与马氏体相界面的台阶结构示意图

图2 NiTi合金中B2母相与B19′马氏体相的晶体结构示意图

图3 母相与马氏体相晶格点阵在台阶面上自然双色花样图和共格双色花样图

图4 NiTi合金B2母相 (100)P晶面与B19′马氏体相(100)M晶面的晶体学位向关系示意图

图5 母相与马氏体相晶格点阵在台阶面上投影所得共格双色花样图和相变位错b+1/+1D沿xTP方向的侧视投影图

Type	b_x / nm	b_y / nm	b_z / nm	h / nm	Burgers vector
Disconnection	0	0.03785	0.01344	0.30175	$b + 1 / + 1 D$ =[100]_P-[100]_M
LID dislocation	0.06972	0.07413	0	0	$b L = 2 s d K 1 b M 2 + c M 2 [011] M$

表1 相变位错b+1/+1D和晶格不变应变位错bL的拓扑参数

Parameter	TM		Experiment^[25]
	ω=ω_o=-0.969°	ω=-1.000°
Habit plane	(-0.8951, 0.3940, 0.2084)_P	(-0.8969, 0.3899, 0.2087)_P	(-0.8684, 0.4138, 0.2688)_P
d^D / nm	0.662	0.667	?
d^L / nm	1.840	1.831	?
Orientation	(100)_P ^ (100)_M : 1.300°	(100)_P ^ (100)_M : 1.287°	See Table 4 in Ref.[25]
relationship	$[0 1 ? 1] P$ ^ $[010] M$ : 0.969°	$[0 1 ? 1] P$ ^ $[010] M$ : 1.000°

表2 NiTi合金马氏体相变晶体学的拓扑模型计算结果与实验数据对比

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