Screw‐Dislocation‐Driven Bidirectional Spiral Growth of Bi2Se3 Nanoplates

Bi₂Se₃ attracts intensive attention as a typical thermoelectric material and a promising topological insulator material. However, previously reported Bi₂Se₃ nanostructures are limited to nanoribbons and smooth nanoplates. Herein, we report the synthesis of spiral Bi₂Se₃ nanoplates and their screw‐dislocation‐driven (SDD) bidirectional growth process. Typical products showed a bipyramid‐like shape with two sets of centrosymmetric helical fringes on the top and bottom faces. Other evidence for the unique structure and growth mode include herringbone contours, spiral arms, and hollow cores. Through the manipulation of kinetic factors, including the precursor concentration, the pH value, and the amount of reductant, we were able to tune the supersaturation in the regime of SDD to layer‐by‐layer growth. Nanoplates with preliminary dislocations were discovered in samples with an appropriate supersaturation value and employed for investigation of the SDD growth process.     

In situ synchrotron X‐ray powder diffraction for studying the role of induced structural defects on the thermoluminescence mechanism of nanocrystalline LiF

The correlation between the thermoluminescence (TL) response of nanocrystalline LiF and its microstructure was studied. To investigate the detailed TL mechanism, the glow curves of nanocrystalline LiF samples produced by high‐energy ball‐milling were analyzed. The microstructure of the prepared samples was analyzed by synchrotron X‐ray powder diffraction (XRPD) at room temperature. Then, the microstructure of a representative pulverized sample was investigated in detail by performing in situ XRPD in both isothermal and non‐isothermal modes. In the present study, the dislocations produced by ball‐milling alter the microstructure of the lattice where the relative concentration of the vacancies, responsible for the TL response, changes with milling time. An enhancement in the TL response was recorded for nanocrystalline LiF at high‐temperature traps (after dislocations recovery starts >425 K). It is also found that vacancies are playing a major role in the dislocations recovery mechanism. Moreover, the interactions among vacancies–dislocations and/or dislocations–dislocations weaken the TL response.     

Quantum dots-templated growth of strain-relaxed GaN on a c-plane sapphire by radio-frequency molecular beam epitaxy

We investigated the quantum dots-templated growth of a(0001) GaN film on a c-plane sapphire substrate.The growth was carried out in a radio-frequency molecular beam epitaxy system.The enlargement and coalescence of grains on the GaN quantum dots template was observed in the atom force microscopy images,as well as the more ideal surface morphology of the GaN epitaxial film on the quantum dots template compared with the one on the AlN buffer.The Ga polarity was confirmed by the reflected high energy electron diffraction patterns and the Raman spectra.The significant strain relaxation in the quantum dots-templated GaN film was calculated based on the Raman spectra and the X-ray rocking curves.Meanwhile,the threading dislocation density in the quantum dots-templated film was estimated to be 7.1×107cm-2,which was significantly suppressed compared with that of the AlN-buffered GaN film.The roomtemperature Hall measurement showed an electron mobility of up to 1860cm2 /V·s in the two-dimensional electron gas at the interface of the Al 0.25Ga0.75 N/GaN heterojunction.     

Elastodynamic analysis of a cracked orthotropic half-plane

The solution of elastodynamic volterra-type dislocation in an orthotropic half-plane is obtained by means of the Fourier transforms. The distributed dislocation technique is used to construct integral equations for an orthotropic half-plane weakened by cracks where the domain is under time-harmonic anti plane traction. These equations are of Cauchy singular type at the location of dislocation which is solved numerically to obtain the dislocation density on the faces of the cracks. The dislocation densities are employed to determine stress intensity factors for multiple smooth cracks. Several examples are solved and the stress intensity factors for multiple cracks with different configuration are obtained.     

Anti-plane elastodynamic analysis of cracked graded orthotropic layers with viscous damping

Stress analysis is carried out in a graded orthotropic layer containing a screw dislocation undergoing time-harmonic deformation. Energy dissipation in the layer is modeled by viscous damping. The stress fields are Cauchy singular at the location of dislocation. The dislocation solution is utilized to derive integral equations for multiple interacting cracks with any location and orientation in the layer. These equations are solved numerically thereby obtaining the dislocation density function on the crack surfaces and stress intensity factors of cracks. The dependencies of stress intensity factors of cracks on the excitation frequency of applied traction and material properties of the layer are investigated. The analysis allows the determination of natural frequencies of a cracked layer. Furthermore, the interactions of two cracks having various configurations are studied.     

α-Fe中刃型位错与空洞相互作用的分子动力学模拟

本文通过分子动力学方法（MD）,采用嵌入原子势法（EAM）,沿[111]方向插入一层（0-11）半原子面形成位错,然后在模型中插入空洞,模拟了BCC 铁中刃型位错与空洞相互作用,研究了空洞对位错运动的影响机理。模拟结果表明,当温度设定为10K时,位错运动速度快,但空洞直径的大小对位错运动速度的影响不太明显,当高温设定为100K时,由于位错线密度增大并随着空洞直径的增加位错运动速度减小,临界剪切应力也随着减小。最后将模拟计算结果与Osetsky的研究数据及连续体理论模型进行了对比分析。     

Fe中<100>{010}刃位错芯结构的各向异性修正

在位错晶格理论基础上,采用改进的Peierls-Nabarro方程研究了Fe中<100>{010}刃位错在各向异性近似下的芯结构和Peierls应力. 各向异性近似下的晶格离散效应、切变模量和能量因子的表达式都已确切给出. 在这三个各向异性因素中,晶格离散效应和能量因子可以使位错宽度变窄,切变模量可以使位错宽度变宽. 相比于各向同性近似,各向异性近似下的位错宽度变窄了近20%,并且各向异性近似下的位错宽度与数值计算的结果相一致. 更为重要的是,各向异性使位错的Peierls应力数值几乎加倍,数量级也由 变成了 ,而这些都会显著影响位错的运动机制. 因此,各向异性对于位错来说非常重要,在研究位错芯结构以及运动机制时需要考虑各向异性的影响.     

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Σ 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.     

Effect of H impurity on misfit dislocation in Ni-based single-crystal superalloy: molecular dynamic simulations

The effect of H impurity on the misfit dislocation in Ni-based single-crystal superalloy is investigated using the molecular dynamic simulation. It includes the site preferences of H impurity in single crystals Ni and Ni₃Al, the interaction between H impurity and the misfit dislocation and the effect of H impurity on the moving misfit dislocation. The calculated energies and simulation results show that the misfit dislocation attracts H impurity which is located at the γ/γ' interface and Ni₃Al and H impurity on the glide plane can obstruct the glide of misfit dislocation, which is beneficial to improving the mechanical properties of Ni based superalloys.     

Atomic force microscopy studies on liquid inclusions and induced defects of cadmium mercury thiocyanate crystal

Liquid inclusions and various defects accordingly induced on a nonlinear optical material of CMTC crystal were investigated by atomic force microscopy. Liquid inclusions are chiefly caused by formation of macrosteps, which result from impurity‐induced inhibiting of step growth and meeting of step trains advancing along different directions. Liquid inclusions induce generation of dislocations and even cracks within the crystal by three‐dimensional nucleation growth. Liquid inclusions also provide screw dislocation growth sources, leading to formation of spiral hillock trains with ridged tails. Etching experiments reveal circular hollow cores, indicative of screw dislocation growth, and negative crystals resulting from further crystallization in the liquid inclusions. (© 2003 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)