石墨／镁基复合材料中的残余应变,位错及孪晶

利用电子显微术对石墨／镁基复合材料界面附近热应力造成的残余应变,位错结构及孪晶进行了分析与观察,位错形成于基体界面区,在切向,径向及轴向力的作用下向基体运动。在界面处存在一厚度为约为１５０ｎｍ的应变层,在基体狭窄区存在应变集中现象。     

镁合金原子尺度计算与模拟研究进展

随着计算机技术的飞速发展,第一性原理计算与分子动力学模拟的方法在材料设计与机理研究中起到至关重要的作用。本文总结了第一性原理计算在镁合金广义层错能、晶格常数、弹性常数、裂纹形成能等方面的应用,综述了分子动力学模拟在镁合金孪晶界演变与迁移、孪晶界与位错及晶界的交互作用、元素偏析对界面的影响、析出相与孪晶界的交互行为等方面的应用。并对第一性原理计算及分子动力学模拟在镁合金研究中的应用现状与目前仍存在的局限性进行了论述,同时展望了镁合金原子尺度计算与模拟研究的发展前景。     

一种奥氏体铁镍基合金中的锯齿流变现象

采用3种应变速率在不同温度下对一种奥氏体铁镍基合金进行拉伸实验,结果发现在300—700℃范围内发生锯齿流变现象;锯齿流变现象在300—600℃范围内表现为凸起式锯齿,而在700℃时表现为下凹式锯齿;此锯齿流变具有热激活性,即较高的拉伸温度使锯齿易于发生,较大的拉伸速率则抑制其发生.对比分析室温(不发生锯齿流变)及400℃(显著发生锯齿流变)拉伸试样的微观组织,发现在400℃拉伸后的孪晶界上存在明显的位错塞积,说明孪晶界可以有效地阻碍滑移变形,引起孪晶界附近应力积累,从而导致了凸起式锯齿流变的发生.孪晶界数量对锯齿波形的影响证实了此观点.     

镁合金温变形过程中的孪生及孪晶交叉

对AZ31镁合金在3种温度(523,573和673 K)下进行了单向压缩变形.在523 K,当真应变ε达到0.22时真应力-真应变曲线出现尖锐的应力峰值,在应力峰值之前先后经历了缓慢加工硬化(0.02≤ε<0.06)和急剧加工硬化(0.06≤ε<0.22)2个阶段.利用SEM/EBSD技术分析了这2个阶段对应的显微组织.结果表明,在缓慢加工硬化阶段(ε=0.03),仅有少量孪晶出现;在急剧加工硬化阶段(ε=0.06),产生了大量{101~-2}孪晶,孪晶间的相互交叉导致材料产生急剧加工硬化.AZ31镁合金{101~-2}孪晶间交叉有5种可能存在的形式,孪晶的形成和交叉与压缩应力方向有密切关系.在基体应力方向分别为近似<112~-0>和<101~-0>方向时确认了(101~-2)-(011~-2)和(101~-2)-(01~-12)2种交叉形式.     

密排六方钛中基面堆垛层错导致的孪晶界滑移、孪生台阶及孪晶生长:第一性原理研究

基于第一性原理计算研究密排六方结构钛中{101n}共格孪晶界和滑移孪晶界的结构和能量,探讨滑移孪晶界的形成机理及其与孪晶生长的关系.结果表明,共格孪晶界与基面堆垛层错的相互作用可使共格孪晶界产生滑移,从而形成对应的滑移孪晶界.这种滑移最终能在孪晶界处形成一对单层孪生台阶,并恢复共格孪晶界的结构.孪生台阶的塞积可导致高分...     

镁合金LPSO/SFs结构间■孪晶交汇机制的原子尺度研究

以含长周期堆垛有序(LPSO)结构的Mg-Zn-Y(-Zr)合金为研究对象,运用透射电子显微方法,从原子尺度解析LPSO结构/富含溶质元素堆垛层错(SFs)对■孪晶交汇行为的作用。结果表明：LPSO/SFs与孪晶交截处易形成基面-棱柱面,从而引起孪晶界在LPSO/SFs间弯曲成弓形,孪晶界存在Zn元素偏聚,Y元素偏聚不明显。LPSO/SFs间同轴■孪晶变体交汇,引入基面-基面(BB)界面及柱面-柱面(PP)界面,且在近LPSO/SFs处产生三角形的局部基体结构。LPSO结构形成扭折时,■孪晶在扭折界面单侧形核长大,此处扭折界面转为孪晶界面;残余扭折界面与基体侧孪晶扩展界面相交,在LPSO/SFs近邻处形成三角形的基体结构。LPSO/SFs/TSFs (孪晶层错)间不同孪晶变体形核,以及交汇引入的分割带来的Hall-Petch效应,可提升合金的硬化率。通过调控镁合金LPSO结构的间距和厚度引入不同孪晶变体,可为其优化性能提供新思路。     

单晶铜纳米加工过程中热效应及缺陷结构的原子尺度模拟(英文)

基于建立的新型三维仿真模型,采用分子动力学方法模拟单晶铜(100)表面纳米加工过程,研究材料的去除机理和纳米加工过程中系统的温度分布与演化规律。仿真结果表明:系统的温度分布呈同心型,切屑温度最高,并且在金刚石刀具中存在较大的温度梯度。采用中心对称参数法区分工件中材料缺陷结构的形成与扩展。位错和点缺陷是纳米加工过程中工件内部的主要缺陷结构。工件中的残余缺陷结构对于工件材料的物理属性和已加工表面质量具有重要影响。位错的成核与扩展、缺陷结构的类型均与纳米加工过程中系统的温度有关。加工区域温度升高有利于位错从工件表面释放,使工件内部位错结构进一步分解为点缺陷。采用相对高的加工速度时,工件中残留缺陷结构较少,有利于获得高质量的加工表面。     

Ti-Al合金相结构与界面特性的电子显微分析及原子尺度计算模拟

对材料的相结构及缺陷的原子排布观察已在几何模型的基础上深入到物理本质,如相结构的稳定性及界面原子弛豫等．本文以比重轻、强度高的ＴｉＡｌ金属间化合物中的Ｔｉ２Ａｌ相及晶界结构为例,说明原子像观察与原子尺度的计算模拟可以提供更全面准确的结构信息．     

利用APT对RPV模拟钢中界面上原子偏聚特征的研究

核反应堆压力容器(RPV)模拟钢样品经过660℃调质处理和370℃时效3000 h后,用原子探针层析法研究了晶界和相界面上原子偏聚的特征.结果表明,Ni,Mn,Si.C,P和Mo在晶界处均有不同程度的偏聚,偏聚倾向由强到弱依次为:C,P,Mo,Si,Mn和Ni.Cu在晶界处会出现贫化现象.Si在晶界上的偏聚程度与晶界的特性有关.在这几种元素中,C在晶界上偏聚的宽度最大,如以成分分布图中浓度峰的半高宽来比较,C的偏聚宽度是Mn,Ni和M0的1.5倍.在富Cu相与α-Fe的相界面处,Ni和Mn有明显的偏聚,而C,P.Mo和Si倾向偏聚在相界面的α-Fe一侧,且偏聚的程度比晶界处的低.     

一种原子尺度应变定义方法及其在识别微观缺陷演化中的应用

为探索性地定义原子尺度的应变,本工作提出了可同时适用于原子尺度和连续介质尺度的"变形"的计算方法,采用离散变形梯度表征原子尺度下的"变形"。在此基础上,引入邻域原子影响权函数,定义了原子尺度下的应变张量,建立了计算任一中心原子的综合局部变形梯度和应变张量的加权最小二乘法目标函数,从而将原子尺度应变的计算转化为解决目标函数的最小值优化问题。然后运用改进的自适应多层复形遗传算法即可实现原子尺度应变的计算。最后,以NiTi合金为研究对象,建立了NiTi合金变形与破坏的分子动力学演化模型并计算了各时刻的原子尺度应变云图,通过应变云图观察到了孪晶。经与NiTi合金三点弯曲冲击断裂试件裂纹尖端的微观观察实验作对照,验证了本工作建立的原子尺度应变定义方法的合理性及其在识别微观缺陷演化中的应用意义。     

压下量对WE43镁合金变形机理和孪生行为的影响（英文）

研究最后一道次压下量对铸态WE43镁合金在480℃直接热轧过程中位错滑移和孪生行为的影响。结果表明,在480℃轧制时柱面滑移始终是主要的滑移模式。另外,不同压下量下激活的孪生类型不同。较小的压下量(2%)下激活的主要是{■}拉伸孪生,而在较大的压下量(12%和20%)下激活的主要是{■}压缩孪生和■二次孪生。Schmid因子计算表明,{■}孪晶变体选择遵循Schmid定律,而{■}孪晶变体选择不遵循Schmid定律。即使单道次压下量达到20%也几乎没有发现动态再结晶晶粒,这可能是因为没有达到动态再结晶所需要的变形量。     

Role of yttrium content in twinning behavior of extruded Mg—Y sheets under tension/compression

The influence of Y content on the grain-scale twinning behavior in extruded Mg—xY (x=0.5, 1, 5, wt.%) sheets under uniaxial tension and compression along the extruded direction was statistically investigated. An automatic twin variant analysis was employed, based on large data sets obtained by electron backscatter diffraction (EBSD), including 2691 grains with 977 twins. The {10

2} tension twinning (TTW) dominance and prevailing anomalous twinning behavior (Schmid factor (m) <0) under both tension and compression were found. The anomalous twinning behavior was more pronounced as Y content increased under tensile loading, indicating a promoted stochasticity of twin variant selection for more concentrated Mg—Y alloys. However, the trend for the Y-content dependent anomalous twinning behavior was opposite in compression. The fractions of the anomalous TTWs were found to be well correlated with the maximum Schmid factor (m_max) values of basal slip and prismatic slip in the corresponding parent grains for compression and tension, respectively, indicating that twinning and dislocation slip might be closely related in the present Mg—Y alloys.     

机械合金化法制备Cu-Nb合金过程中的形变孪生特性

采用机械合金化法制备纳米Cu-10%Nb合金,通过显微硬度测量以及高分辨透射电镜观察,对该合金粉末在室温球磨过程中的微观结构演变和形变孪生特性进行研究;利用局部应力集中模型分析形变孪晶的形核机制。结果表明:随着球磨时间的增加,该合金硬度(HV)不断升高,球磨120 h后可达4.8 GPa;该合金在球磨初期以位错胞结构为主;球磨50 h后,Cu平均晶粒尺寸减小至约50 nm,部分区域出现纳米形变孪晶;继续增加球磨时间,孪晶数量增加,孪晶界强化效果显著;由于孪生将促进纳米晶粒的进一步细化,球磨120 h后,纳米晶尺寸减小到20 nm以下。     

利用取向成像研究镁合金的孪生过程

利用背散射电子衍射取向成像技术,定量分析了具有初始织构的AZ31镁合金平面应变压缩时的孪生过程.结果表明:初始织构为晶粒单胞的c轴平行于轧向时,晶粒内部的{1012}孪生是主要的形变机制,产生(0001)∥轧面的基面织构.随形变量的加大及孪晶的增多,86.3°〈1120〉的孪晶取向关系先急剧增加,然后明显降低.孪晶量与基面取向晶粒的面积百分数对应,而跟孪晶关系出现的多少不相对应.测定了应变量与孪晶量的定量关系,并讨论了可能出现的误差.     

Shock-induced deformation twinning and omega transformation in tantalum and tantalum–tungsten alloys

Effects of high strain-rate and high plastic-strain deformation on the development of deformation substructures in tantalum and tantalum–tungsten alloys (Ta–2.5 wt.% W and Ta–10 wt.% W) shocked at 15 and 45 GPa have been investigated. In addition to dislocation cells/walls, and {112}<111>-type deformation twinning, a shock-induced omega phase (hexagonal) is also found within polycrystalline tantalum shocked at 45 GPa. The orientation relationships between the omega phase and parent (bcc) matrix are

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. The lattice parameters of omega phase are and

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Since both deformation twinning and omega transformation occur preferably in the {211}_b planes with high resolved shear stresses, it is suggested that both can be considered as alternative paths for shear transformations in shock-deformed tantalum. A greater volume fraction of twin and omega phase formed in Ta–W than in pure Ta reveals that shock-induced shear transformations can be promoted by solid solution alloying. While deformation twinning is resulted from homogeneous shear in consecutive {211} planes, omega transformation can be attributed to the

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inhomogeneous shear in consecutive {211} planes. Dislocation mechanisms for shock-induced twinning and omega transformation are proposed and critically discussed.     

Influence of deformation twinning on static annealing of AZ31 Mg alloy

The microstructure evolution during isothermal static annealing of magnesium alloy AZ31 was investigated to critically evaluate the contribution of extension and contraction twins to the recrystallized microstructure after room temperature deformation, and to establish the potential of these twins to alter the recrystallized texture. Contraction twins were observed to be potent sites for recrystallized nuclei having many favorable new orientations, while extension twins were not effective nucleation sites for recrystallization. Although recrystallization nucleated preferentially inside the contraction twins, producing a distribution of new orientations (far from the undesirable starting c-axis fiber texture), these new grains did not significantly influence the final texture. This was attributed to four factors: (1) unusually extensive recovery before the onset of recrystallization after c-axis compression in most grains; (2) incomplete recrystallization within grains most closely aligned with the starting fiber texture; (3) sluggish growth of grains nucleated in the compression twins; (4) grain boundaries becoming an active site for recrystallized nuclei with a majority containing orientations from the starting texture.     

Atomistic simulations of interactions between screw dislocation and twin boundaries in zirconium

Molecular statics was employed to simulate interaction between screw dislocation and twin boundaries (TB) in hexagonal close-packed zirconium. In the moving TB model, the interaction of a moving $\left\{10\overline{1}2\right\}$ TB with a static $1/3〈11\overline{2}0〉\left\{10\overline{1}0\right\}$ screw dislocation was investigated. Twinning dislocation (TD) nucleation and movement play an important role in the interaction. The screw dislocation passes through the moving TB and changes to a basal one with a wide core. In the moving dislocation model, a moving $1/3〈11\overline{2}0〉\left\{10\overline{1}0\right\}$ dislocation passes through the TB, converting into a basal one containing two partial dislocations and an extremely short stacking fault. If the TB changes to the $\left\{10\overline{1}1\right\}$ one, the moving $1/3〈11\overline{2}0〉\left\{10\overline{1}0\right\}$ prismatic screw dislocation can be absorbed by the static TB and dissociated into two TDs on the TB. Along with the stress–strain relationship, results reveal the complicated mechanisms of interactions between the dislocation and TBs.     

Effect of deformation mode,dynamic recrystallization and twinning on rolling texture evolution of AZ31 magnesium alloys

In order to obtain quantitative relationship between (0002) texture intensity and hot rolling conditions, conventional rolling experiments on AZ31 magnesium alloys were performed with 20%–40% reductions and temperatures within the range of 300–500 °C. Shear strain and equivalent strain distributions along the thickness of the rolled sheets were calculated experimentally using embedded pin in a rolling sheet. Rolling microstructures and textures in the sheet surface and center layers of the AZ31 alloys were measured by optical microscopy (OM), X-ray diffractometry (XRD) and electron back scatter diffraction (EBSD). Effects of the rolling strain, dynamic recrystallization (DRX) and twinning on the texture evolution of the AZ31 alloys were investigated quantitatively. It is found that the highest (0002) basal texture intensities are obtained at a starting rolling temperature of 400 °C under the same strain. Strain–temperature dependency of the (0002) texture intensity of the AZ31 alloy is derived.     

镁合金铸造缺陷塑性变形弥合与修复过程

通过电子显微镜、透射电镜并结合塑性变形数值模拟,观察镁合金铸造缺陷(晶间缩松和缩孔)在变形过程中的形貌变化及缺陷附近应力分布,讨论塑性变形消除铸造缺陷的力学行为,提出镁合金铸造缺陷塑性变形弥合过程为:缺陷体积压缩→界面闭合→界面两侧基体相切变→界面附近再结晶→缺陷部分弥合.结果表明:变形过程中缺陷附近应力集中明显,变形后应力集中大大降低,部分铸造缺陷得以弥合与修复.