Analysis of deformation mechanisms in magnesium single crystals using a dedicated four-point bending tester

In this study,we explored the deformation mechanisms of Mg single crystals using a combination of scanning electron microscopy and electron backscattered diffraction in conjunction with a dedicated four-point bending tester.We prepared two single-crystal samples,oriented along the<1120>and<1010>directions,to assess the mechanisms of deformation when the initial basal slip was suppressed.In the<1120>sample,the primary{1012}twin(T1)was confirmed along the<1120>direction of the sample on the compression side with an increase in bending stress.In the<1010>sample,T1 and the secondary twin(T2)were confirmed to be along the<1120>direction,with an orientation of±60°with respect to the bending stress direction,and their direction matched with(0001)in T1 and T2.This result implies that crystallographically,the basal slip occurs readily.In addition,the<1010>sample showed the double twin in T1 on the compression side and the tertiary twin along the<1010>direction on the tension side.These results demonstrated that the maximum bending stress and displacement changed significantly under the bend loading because the deformation mechanisms were different for these single crystals.Therefore,the correlation between bending behavior and twin orientation was determined,which would be helpful for optimizing the bending properties of Mg-based materials.

Influence of temperature on twinning dominated pop-ins during nanoindentation of a magnesium single crystal

The present paper examines the temperature sensitivity of tensile twinning in a magnesium single crystal during nanoindentation of the prismatic plane. High temperature indentations from 25 ℃ to 250 ℃ were employed on a well polished magnesium single crystal {10-10}plane. For a indentation curve displaying a pop-in, a single twin was seen on the sample surface using Atomic Force Microscopy(AFM)imaging. For indentations that produced no pop-in, no twinning was observed. We thus conclude the pop-in arises from a twinning event in the present case. With increasing temperature, the mean pop-in load(measured from 200 repeat indentations of each testing temperature)drops markedly. This is interpreted by the thermal activation of nucleation of lattice dislocations, which immediately trigger a twinning event.Thermal activation analysis yields activation energies that are consistent with this idea. With increasing temperature the pop-ins became deeper and the twins, after further indentation, showed more growth. It is likely that non-basal slip is activated in the stress concentrations that arise during twinning and the thermal activation of this slip accounts for the observed temperature effects. It is concluded that in interpreting the temperature sensitivity of twinning stresses, any associated lattice dislocation activity must be considered.

Atomistic simulation of the structural evolution in magnesium single crystal under c-axis tension

Molecalar dynamics simulation is applied to investigate the microstructure evolution of magnesium single crystals under c-axis extension at different temperatures. At low temperatures, both {1012} and {1011} twins are observed. At elevated temperatures, {1011} twining decreases quickly with increasing temperature, while the amount of {1012} twins increases. The （1012} twin is found to be the main deformation mechanism under the c-axis tension in the magnesium single crystal. Meanwhile, shear bands are also observed during deformation. When the temperature is beyond 500 K, the non-basal plane slip due to the thermal .activation is found. The stress-strain curves related with deformation behavior at atomistic scale are presented.

Shape change of calcite single crystals to accommodate interfacial curvature:Crystallization in presence of Mg2+ions and agarose gel-networks

Synthetic calcite single crystals,due to their strong crystal habit,tend to grow into characteristic rhombohedra.In the nature,biogenic calcite crystals form composites together with biomacromolecular materials,spurring investigations of how the growing calcite single crystals change their habit to satisfy the curvature of the organic phase.In this work,we examine calcite crystallization on a flat surface of glass slide and a curved surface of polystyrene（PS） sphere.The crystals exhibit tiny contact area onto the glass substrate that is averagely only 15%of their projected area on the substrate.In sharp contrast,the contact area greatly increase to above 75%of the projected area,once magnesium ions or agarose gel networks are introduced into the crystallization media.Furthermore,the calcite crystals form rough and step-like interfaces with a curved surface.However,the interfaces become smooth and curved as the crystals grow in presence of magnesium ions or agarose gel networks.The discrepancy between the interfacial structures implies kinetic effects of the additives on the crystallization around the surfaces.This work may provide implications for understanding the formation mechanisms of single-crystal composite materials.

镁单晶塑性变形行为的晶体塑性耦合孪晶相场模拟

本文建立了一个晶体塑性-孪晶相场耦合模型来研究镁单晶的塑性变形行为.在晶体塑性模型中考虑了三种典型的滑移模式,即基面滑移、柱面滑移、锥面滑移,而在孪晶相场模型中考虑了化学能、梯度能和弹性能的作用.模拟结果表明:在沿孪生方向剪切加载诱导孪晶的过程中,不同阶段的应力水平和不同方向孪晶界面的迁移率存在较大差异.孪晶在早期呈透镜状,而在侧向长大阶段呈平板状,并且孪晶出现后有基面滑移被激活;非基面滑移在基体完全转变为孪晶后被激活.在一个拉-压载荷周期内,不同取向的镁单晶中出现不同的塑性变形模式,当加载方向平行于c轴时,对应的变形模式为孪生-解孪-锥面滑移-复孪生;当加载方向垂直于c轴时,对应的变形模式为柱面滑移-柱面滑移孪生-孪生-解孪,这两种单晶均表现出强拉压不对称性;当加载方向与c轴夹角为45°时,仅发生基面滑移,不存在拉压不对称现象.

The chemisorption of Mg on the Si(100)-(2×1) surface

The adsorption of a half monolayer of Mg atoms on the Si（100）-（2×1） surface is studied by using the self-consistent tight binding linear muffin-tin orbital method.Energies of the adsorption systems of Mg atoms on the different sites are calculated.It has been found that the adsorbed Mg atoms are more favorable on the cave site above the surface than any other sites on the Si（100）-（2×1） surface and a metastable shallow site also exists above the surface.This is in agreement with the experimental results.The charge transfer and the layer projected density of states are also studied.