2,2’—二硫代双(4,6—二叔丁基苯酚)的晶体和分子结构

一种塑解剂经高压液体色谱分离制备出主要成份2,2′—二硫代双(4,6二叔丁基苯酚)。由质谱分析得到分子量为474化学式为C_(28)H_(2)O_2S_2、晶体呈现孪生。基体单晶属三斜晶系,空间群为(?)PI(NO.2),晶体结构用直接法解出,=0.07。研究结果表明该分子是二硫代酚类化合物。在EI场中,S—S键断裂是主要断裂过程。晶体中,分子的一个环上的羟基是无序分布的。羟基与最邻近的硫原子形成氢键。

Crystal anisotropy of AZ31 magnesium alloy under uniaxial tension and compression

To investigate the deformation twinning and the plastic anisotropy of the hexagonal-close-packed（HCP） single crystal, the crystal plastic constitutive model including slip and twinning deformation was established with finite element method based on crystal plasticity theory. The model was verified by test data. Newton-Raphson iteration method was developed with the stress components directly as the basic variables of iteration. The plastic deformation behavior of single crystal AZ31 alloy was analyzed numerically under monotonic tension and compression, respectively, in four different strain paths（i.e. along 〈2110〉, 〈 0110〉, 〈0001〉 and 〈0111〉） with this model. The stress-strain curves were obtained in the above paths. The numerical calculation results show that this crystal model is feasible to predict the activity of slip/twinning system and to describe the number of active twin variants, the types of dominant twin variants and twin intersection. Due to the polar nature of mechanical twinning in inelastic deformation of the material, the plastic behavior of the single crystal material is demonstrated to be notably anisotropic and high asymmetry.

Simulation of mechanical behavior of AZ31 magnesium alloy during twin-dominated large plastic deformation

Experiments and visco-plastic self-consistent (VPSC) simulations were used to quantify the amount of twinning and the relationship to stress?strain behavior in a textured Mg?3Al?1Zn plate. Two different compression directions were utilized to favor{1012} extension or{1011} compression twinning.{1012} twins nucleate at the beginning of plastic deformation and grow to consume the parent grains completely. During compression along the normal direction,{1011} twinning and{1011}?{1012} double twinning start at strain of 0.05, and the number of twins increases until rupture, above strain of 0.15.{1011} and{1011}?{1012} twinning also occur during compression along the transverse direction, start at strain of 0.06 and then multiply in grains totally reoriented by{1012} twins. Using suitable parameters, the VPSC model can accurately predict the occurrence of extension, compression and double-twinning as well as the flow stresses and deformed textures. According to VPSC simulations, twinning and slip have the same latent hardening parameters.

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{1012}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.

The stress-velocity relationship of twinning partial dislocations and the phonon-based physical interpretation

The dependence of dislocation mobility on stress is the fundamental ingredient for the deformation in crystalline materials. Strength and ductility, the two most important properties characterizing mechanical behavior of crystalline metals, are in general governed by dislocation motion. Recording the position of a moving dislocation in a short time window is still challenging, and direct observations which enable us to deduce the speed-stress relationship of dislocations are still missing. Using large-scale molecular dynamics simulations, we obtain the motion of an obstacle-free twinning partial dislocation in face centred cubic crystals with spatial resolution at the angstrom scale and picosecond temporal information. The dislocation exhibits two limiting speeds: the first is subsonic and occurs when the resolved shear stress is on the order of hundreds of megapascal. While the stress is raised to gigapascal level, an abrupt jump of dislocation velocity occurs, from subsonic to supersonic regime. The two speed limits are governed respectively by the local transverse and longitudinal phonons associated with the stressed dislocation, as the two types of phonons facilitate dislocation gliding at different stress levels.