Dislocation glide through non-randomly distributed point obstacles

Abstract

Classical meso-scale models for dislocation–obstacle interactions have, by and large, assumed a random distribution of obstacles on the glide plane. While a good approximation in many situations, this does not represent materials where obstacles are clustered on the glide plane. In this work, we have investigated the statistical problem of a dislocation sampling a set of clustered point obstacles in the glide plane using a modified areal-glide model. The results of these simulations show two clear regimes. For weak obstacles, the spatial distribution does not matter and the critically resolved shear stress is found to be independent of the degree of clustering. In contrast, above a critical obstacle strength determined by the degree of clustering, the critical resolved shear strength becomes constant. It is shown that this behaviour can be explained semi-analytically by considering the probability of interaction between the dislocation line and obstacles at a given level of stress. The consequences for alloys exhibiting solute clustering are discussed.     

Modelling work hardening of aluminium alloys containing dispersoids

The influence of dispersoids on tensile deformation behaviour has been studied by comparison of aluminium alloys containing different dispersoid densities. It was found that a fine dispersion of non-shearable particles led to an increased work hardening at the initial plastic deformation, but the effect was opposite at higher strains. The reason has been attributed to the generation of geometrically necessary dislocations (GNDs). A new model has been proposed for the evolution of GNDs based on a balance of storage and dynamic recovery of GNDs. The model predicts a rapid saturation of GNDs and a reduced work hardening at small strains, consistent with the experimental results.     

化学处理增强光学材料的抗激光破坏强度

报道了用化学处理方法提高光学材料的抗激光破坏强度的实验结果,化学处理使和Ｋ２玻璃的激光损伤阈值分离提高３倍和４倍,对晶体和熔石英的化学处理也得取和较好的工对加固机理作了分析。     

等径角挤压后Ti5553钛合金的冲蚀磨损机理演变

本文中系统研究了经等径角挤压(ECAE)处理后的Ti5553钛合金在海砂环境中的冲蚀磨损机理演变历程和失效原因.发现Ti5553钛合金在高角度冲蚀工况下,其冲蚀磨损机理从初期的微切削转变为冲击挤压变形,并保持稳定;合金显微组织中弥散的α相以及ECAE工艺影响了冲蚀机理演变过程及冲蚀磨损程度;提高合金的强度、韧塑性对于抵抗冲蚀磨损起到了促进作用.     

Segregation of alloying atoms at a tilt symmetric grain boundary in tungsten and their strengthening and embrittling effects

We investigate the segregation behavior of alloying atoms （Sr, Th, In, Cd, Ag, Sc, Au, Zn, Cu, Mn, Cr, and Ti） near Z3 （ 111 ） [1]-0] tilt symmetric grain boundary （GB） in tungsten and their effects on the intergranular embrittlement by performing first-principles calculations. The calculated segregation energies suggest that Ag, Au, Cd, In, Sc, Sr, Th, and Ti prefer to occupy the site in the mirror plane of the GB, while Cu, Cr, Mn, and Zn intend to locate at the first layer nearby the GB core. The calculated strengthening energies predict Sr, Th, In, Cd, Ag, Sc, Au, Ti, and Zn act as embrittlers while Cu, Cr, and Mn act as cohesion enhancers. The correlation of the alloying atom＇s metal radius with strengthening energy is strong enough to predict the strengthening and embrittling behavior of alloying atoms; that is, the alloying atom with larger metal radius than W acts as an embrittler and the one with smaller metal radius acts as a cohesion enhancer.     

纳米孪晶界对可动位错演化特性与金属Al强化机理探究

位错是金属塑性变形普遍形式,对其可动位错演化特性与规律探寻并充分利用,将在金属强韧化提升中有着潜在基础前瞻性研究价值.本文基于分子动力学法对金属Al塑性变形的可动位错迁演特性展开研究,洞悉纳米压痕诱导的可动位错与孪晶界面间作用规律,揭示出金属强化微观机制,并分析单层孪晶界高度与多层孪晶界层间距对可动位错迁演、位错密度、硬度、黏着效应的影响.研究发现:高速变形下的金属非晶产生和密排六方结构的出现会协同主导Al基塑性变形,而孪晶界会阻碍可动位错滑移、诱导可动位错缠绕及交滑移产生,在金属承载提升中扮演了位错墙和诱导位错胞形成的微观作用.通过在孪晶界形成钉扎位错和限制位错迁移,在受限域形成高密度局域可动位错,显著强化了金属硬度和韧性,降低了卸载时黏附于探针表面的原子数.结果表明:Al基受载会诱导上表面局部非接触区原子失配斑出现;单层孪晶界高度离基底上表面距离减小时,位错缠绕和交滑移作用越明显,抗黏着效应也随之下降;载荷持续增加会诱驱孪晶界成为位错萌生处与发射源,并伴随塑性环的繁衍增殖.     

The effect of intragranular microstress in Al2O3—SiC nanocomposites

A theoretical model is established to investigate the intragranular particle residual stress in Al2O3-SiC nanocomposites.Using this model,we calculate the average compressive stress on the Al2O3 grain boundary(GB) and the average tensile stress within Al2O3 grains caused by SiC nanoparticles.The normal compressive stress strengthens the GB,and the average tensile stress weakens the grains.The model gives a reasonable interpretation of the strength changes of Al2O3-SiC nanocomposites with the number of SiC particles.     

Excited‐State Hydrogen Bonding Strengthening and Weakening with Intramolecular Charge Transfer in Resorufin‐Water Complexes: A TD‐DFT Study

The geometric structures, infrared spectra and hydrogen bond binding energies of the various hydrogen‐bonded Res^?‐water complexes in states S0 and S1 have been calculated using the density functional theory (DFT) and time‐dependent density functional theory (TD‐DFT) methods, respectively. Based on the changes of the hydrogen bond lengths and binding energies as well as the spectral shifts of the vibrational mode of the hydroxyl groups, it is demonstrated that hydrogen bonds HB‐II, HB‐III and HB‐IV are strengthened while hydrogen bond HB‐I is weakened in the four singly hydrogen‐bonded Res^?‐Water complexes upon photoexcitation. When the four hydrogen bonds are formed simultaneously between one resorufin anion and four water molecules in the Res^?‐4Water complex, all the hydrogen bonds are weakened in both the ground and excited states compared with those in the corresponding singly hydrogen‐bonded Res^?‐Water complexes. Furthermore, in complex Res^?‐4Water, hydrogen bonds HB‐II and HB‐IV are strengthened while hydrogen bonds HB‐I and HB‐III are weakened after the electronic excitation. The hydrogen bond strengthening and weakening in the various hydrogen‐bonded Res^?‐water complexes should be due to the redistribution of the charges among the four heteroatoms (O_1‐3 and N₁) within the resorufin molecule upon the optical excitation.     

The effect of intragranular microstress in A1203-SiC nanocomposites

A theoretical model is established to investigate the intragranular particle residual stress in A1203-SiC nanocom-posites. Using this model, we calculate the average compressive stress on the A1203 grain boundary （GB） and the average tensile stress within A1203 grains caused by SiC nanoparticles. The normal compressive stress strengthens the GB, and the average tensile stress weakens the grains. The model gives a reasonable interpretation of the strength changes of A1203-SiC nanocomposites with the number of SiC particles.