高温预熔化晶界位错的结构组态转变的探究

晶体材料的性能受其内部晶界特性的影响。在高温下,晶体材料在晶界上易发生预熔化。本研究采用晶体相场(PFC)方法模拟高温二维六角晶体的晶界预熔化区在双轴加载作用下的结构演化情况。结果显示,晶界位错会发生配对,形成具有对称结构的位错团,一对位错上下排列,另一对位错左右排列,构成4个位错的组合。随着施加的应变增大,晶界位错预熔化区域横向扩展,其形状最初为棒状,逐渐转化为六边形,再转变成“V”形,最后又收缩为六边形。晶界预熔化区的形状变化伴随着内部位错结构的转变,从而发生位错芯扩展,原来上下配对的位错转变为并行排列的位错,左右排列的位错发生扩展滑移,并在左右两端萌生出一对新的位错。当预熔化区域扩展达到横向最宽时,该区域发射一对位错,随后预熔化区域开始收缩,最后又恢复到初始的形状。上述结果表明,位错结构的组态转变对晶体材料的高温变形机制能产生强烈的影响。

高温应变下的晶界位错结构组态演化的晶体相场模拟

【目的】研究高温下晶体的晶界位错结构组态演化。【方法】采用晶体相场(PFC)方法模拟高温条件下小角对称倾侧晶界结构,研究施加x轴方向拉应变和y轴方向压应变作用下晶体的晶界位错的迁移、增殖和湮没。【结果】在施加应变的作用下,晶界位错迁移出晶界向晶粒内部移动,在位错增殖和湮没的过程中发生位错反应。【结论】位错增殖的本质是产生了分布于晶界两侧的对称位置数量相等且Burgers矢量总和为0的多组位错对。在晶界处新增殖的位错对,其左侧和右侧位错对的Burgers矢量之和分别不为0且方向相反。在位错增殖和湮没的过程中,样品的总Burgers矢量是守恒的,总是等于初始晶界处的位错组A的Burgers矢量。

含扭转晶界位错Al金属拉伸强度第一性原理预测

本文基于密度泛函理论第一原理方法,从影响力学性能本质的电子结构计算上,对含∑5{001}扭转晶界位错Al金属拉伸强度进行了预测,发现其理论拉伸强度达到8.73 GPa,临界应变为24%.拉伸强度低于文献报道(Phys.Rev.B 75,174101(2007))的倾斜晶界位错Al金属的理论拉伸强度9.5 GPa,但其临界应变却远大于倾斜晶界的16%.本研究结果表明,通过工艺参数控制,改变缺陷形态,可极大地改变其力学性能.进一步地,从电子结构层次上,分析了含晶界位错Al金属拉伸断裂行为的实质,通过分析电荷密度分布、键长变化等,发现其断裂处发生在晶界处;理论计算结果将对Al金属结构设计及力学性能改善具有重要的指导作用.

晶粒组元沿晶界旋转的铜双晶在循环变形中的滑移形貌与位错组态

对晶粒组元因晶体生长时沿晶界发生旋转的铜双晶体进行了恒定塑性应变幅下的循环形变研究,塑性应变幅为1.5X10-3通过扫描电子显微镜-电子通道衬度技术（SEM-ECC）对滑移形貌和位错组态的演化进行了观察,发现由于晶粒内部的几何效应使沿晶界的位错组态随着晶粒的旋转方向的变化也相应发生变化,逐渐表现为由滑移带与晶界的相互作用过渡到形变带与晶界的相互作用.形变带Ⅱ（DB Ⅱ）对于主滑移有着明显的阻碍作用.晶界无位错区（DFZ）伴随着形变带Ⅱ在晶界的出现而产生.胞状结构的形成是由于次滑移系的开动使形变带Ⅱ中的位错墙结构先破坏而后形成.

Effect of thermal annealing on defects of upgraded metallurgical grade silicon

Effect of thermal annealing on the upgraded metallurgical grade（UMG）-Si was investigated under different conditions.The dislocation,grain boundaries and preferred growth orientation of Si ingot were characterized by optical microscopy,electron back scattering diffraction（EBSD） and X-ray diffractometry（XRD）,respectively.The arrange order of dislocation density of Si ingot is from the lowest in the middle to the lower in the bottom and low in the top before and after annealing.And it decreases gradually with increase of the annealing temperature.The number of small angle grain boundaries declines gradually until disappears whereas the proportion of coincidence site lattice（CSL） grain boundaries increases firstly and then decreases.The twin boundary Σ3 reaches the highest proportion of 28% after annealing at 1 200 ℃ for 3 h.Furthermore,the crystal grains in different positions gain the best preferred growth orientation,which can promote the following machining of Si ingot and the conversion efficiency of solar cells.

Interface,lattice strain and dislocation density of SiC_p/Al composite consolidated by equal channel angular pressing and torsion

Powder mixture of pure A1 and oxidized SiC was consolidated into 10% （mass fraction） SiCp/AI composites at 523 K by equal channel angular pressing and torsion （ECAP-T）. The interfacial bonding of the composites was characterized by transmission electron microscopy （TEM） and high resolution transmission electron microscopy （HRTEM）. The selected area electron diffraction （SAED） for the interface was investigated. The elements at the interface were scanned by energy dispersive spectroscopy （EDS） and the EDS mapping was also obtained. X-ray diffraction （XRD） analysis was carried out for the composites fabricated by 1 pass, 2 passes and 4 passes ECAP-T. According to the XRD analysis, the influences of ECAP-T pass on the Bragg angle and interplanar spacing for AI crystalline planes were studied. The results show that after ECAP-T, the interface between A1 and SiC within the composites is a belt of amorphous SiO2 containing a trace of A1, Si and C which diffused from the matrix and the reinforcement. With the growing ECAP-T pass, the Bragg angle decreases and interplanar spacing increases for A1 crystalline planes, due to the accumulated lattice strain. The increasing lattice strain of A1 grains also boosts the density of the dislocation within A1 grains.

Primary and secondary modes of deformation twinning in HCP Mg based on atomistic simulations

Deformation twinning, i.e., twin nucleation and twin growth （or twin boundary migration, TBM） activated by impinged basal slip at a symmetrical tilt grain boundary in HCP Mg, was examined with molecular dynamics （MD） simulations. The results show that the {1^-1^-21}-type twinning acts as the most preferential mode of twinning. Once such twins are formed, they are almost ready to grow. The TBM of such twins is led by pure atomic shuffling events. A secondary mode of twinning can also occur in our simulations. The {112^-2} twinning is observed at 10 K as the secondary twin. This secondary mode of twinning shows different energy barriers for nucleation as well as for growth compared with the {1^-1^-21}-type twining. In particular, TBMs in this case is triggered intrinsically by pyramidal slip at its twin boundary.

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 {10ˉ12} TB with a static 1/311ˉ20{10ˉ10} 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 1/31120{1010} 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 {1011} one, the moving1/31120{1010} 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 isothermal compression and subsequent heat treatment on grain structures evolution of Al-Mg-Si alloy

The constitutive relationships of Al-Mg-Si alloy deformed at various strain rates,temperatures and strains were studied.The microstructure evolution was quantitatively characterized and analyzed,including recrystallization fraction,grain sizes,local misorientation,geometrically necessary dislocation and stored strain energy during hot deformation and subsequent heat treatment.The results show that the dislocation density and energy storage are linear with ln Z during hot deformation and subsequent heat treatment,indicating continuous recrystallization occurring in both processes.With higher ln Z,the dislocation density declines more sharply during subsequent heat treatment.When ln Z is less than 28,dislocation density becomes more stable with less reduction during subsequent heat treatment after hot deformation.As these dislocations distribute along low angle grain boundaries,the subgrain has good stability during subsequent heat treatment.The main recrystallization mechanism during hot deformation is continuous dynamic recrystallization,accompanied by geometric dynamic recrystallization at higher ln Z.

Structural transformation and energy analysis for pile-up dislocations at triple junction of grain boundary

An energy model for the structure transformation of pile-ups of grain boundary dislocations(GBD)at the triple-junction of the grain boundary of ultrafine-grain materials was proposed.The energy of the pile-up of the GBD in the system was calculated by the energy model,the critical geometric and mechanical conditions for the structure transformation of head dislocation of the pile-up were analyzed,and the influence of the number density of the dislocations and the angle between Burgers vectors of two decomposed dislocations on the transformation mode of head dislocation was discussed.The results show when the GBD is accumulated at triple junction,the head dislocation of the GBD is decomposed into two Burgers vectors of these dislocations unless the angle between the two vectors is less than 90°,and the increase of applied external stress can reduce the energy barrier of the dislocation decomposition.The mechanism that the ultrafine-grained metal material has both high strength and plasticity owing to the structure transformation of the pile-up of the GBD at the triple junction of the grain boundary is revealed.

Correlated necklace dislocations in highly oriented nanotwinned metals

In this paper, we review recent progress in the understanding of a novel dislocation mechanism, named correlated necklace dislocations(CNDs), activated in highly oriented nanotwinned(NT) metals under monotonic and cyclic loading applied parallel to the twin boundaries(TBs). This mechanism was initially revealed to be responsible for the continuous strengthening behavior of NT metals when the TB spacing(λ) is reduced to around 1 nm. It was later found that the presence of a crack-like defect could trigger the operation of CNDs at much larger TB spacings. Most recently, atomistic modeling and experiments demonstrated a history-independent and stable cyclic response of highly oriented NT metals governed by CNDs formed in the NT structure under cyclic loading. CNDs move along the twin planes without directional lattice slip resistance, thus contributing to a symmetric cyclic response of the NT structure regardless of pre-strains imposed on the sample before cyclic loading. We conclude with potential research directions in the investigation of this unique deformation mechanism in highly oriented NT metals.