晶界结构及其对力学性质的影响(Ⅰ)

许多实验结果表明晶界对多晶材料的力学性能产生很大影响.本文简要总结了研究晶界结构及其对多晶材料力学性能的影响方面的理论和实验工作.第一部分介绍了描述晶界结构的各种模型,包括小角晶界位错模型,大角晶界重合点阵模型、O点阵模型和位移移动重位点阵理论,还讨论了晶界原子和电子结构,以及晶界结合力和晶界能.第二部分总结了晶界结构对力学性能的影响,包括强度,断裂韧度,蠕变,疲劳,沿晶断裂(应力腐蚀开裂,氢脆,液态金属腐蚀等).文中还介绍了最近发展起来的利用控制晶界结构改进多晶材料力学性能方面的新成果,晶界设计和毫微晶材料.      

晶界结构及其对力学性质的影响(Ⅱ)

<正> 3 晶界结构对力学性质的影响 晶界是固体材料中的一种面缺陷.由于晶界和位错以及其他缺陷和杂质之间的相互作用      

金属晶界力学性质的计算机模拟

本文扼要介绍了基于原子间相互作用的计算机模拟方法以及它们应用于研究金属晶界上所取得的成功.文中列举了晶界的生成、原子弛豫结构、杂质偏聚和空位迁移等几个方面的工作作为例证.此外,对这种模拟方法的局限性作了评论.      

考虑两种晶界的各向异性双晶和三晶体晶界附近弹塑性应力场分析

采用率相关的晶体滑移有限元程序对具有不同晶体取向的双晶体晶界附近及三晶体三晶粒交汇处的弹塑性应力场进行了计算,考虑了几何晶界和物理晶界的影响.计算结果表明:双晶体及三晶体考虑几何晶界和物理晶界时,这两种晶界具有相同的应力分布趋势,只是物理晶界比几何晶界的应力集中程度小,双晶体晶界附近有较大的应力梯度,存在应力集中现象.三晶体三晶粒交汇处可能是应力集中之地也可能不造成应力集中,这主要取决于晶粒晶体取向及加载方向.由此可见,要准确理解金属材料的断裂过程,还需要从细观的角度对晶界的力学响应进行细致和深入的研究.     

超塑性变形晶界效应研究综述

自1934年超塑性现象被发现, 一直以其特殊的塑性变形机制而备受关注.本文以对超塑性变形晶界研究为主线, 从力学角度总结了近年来研究成果. 包括: 基于晶界拓扑构造、统计规律以及能量耗散的力学模型; 论述了由孔洞损伤导致的超塑性沿晶破坏、晶界结构演化与宏观率敏感性之间的关系; 列举了考虑晶界效应的典型超塑性数值模型; 总结并讨论了晶界滑移定量表征的重要实验手段, 指出超塑性研究中需进一步拓展的领域: 多尺度耦合的超塑性力学、材料制备及组合工艺中利用超塑性.      

镍基双晶体晶界断裂特性研究

对单晶体以及晶界平行晶粒裂纹和晶界垂直晶粒裂纹的双晶体的断韧性进行了实验研究,设计了三种三点弯曲试件,得到了单晶体和晶界的断裂韧性值,在晶界垂直晶粒裂纹的双晶体试验中,揭示了晶界对晶粒断裂的屏蔽效应;当裂纹距晶界某一特定长度时,断裂韧性值最大,理论分析和晶体滑移有限元数值分析揭示了这种屏蔽效应的机理,双晶晶界处的变表相容性导致了理解纹尖端应国和场的重新分布,并由此产生了晶界屏蔽效应。     

钨塑性变形与断裂行为及其辐照效应的研究综述

金属钨具有独特的力学特性和物理化学特性,是核能、航空航天、微机电系统等领域广泛应用的结构材料.钨在服役条件下的变形和断裂行为是影响其服役状态的关键因素之一.但是,钨的塑性变形和断裂表现出异于其它金属材料的力学行为,比如,屈服强度表现出非施密特效应和拉压不对称性,断裂韧性低且具有各向异性、尺寸效应和温度效应,等等.这些特性与钨的位错特性、晶界特性、晶粒尺寸、晶粒取向等微结构紧密相关.辐照条件下高能粒子与钨原子的相互作用会引起其微观组织结构的变化,形成的位错、位错环等辐照缺陷导致钨的辐照硬化和辐照脆化,揭示钨微结构与力学行为之间的物理关系、研究辐照对钨力学行为的影响机制成为近年来关注的热点.论文围绕钨的塑性变形和断裂行为及其辐照效应,从实验、理论、模拟三个方面综述研究者们在原子尺度、位错尺度、单晶尺度、多晶宏观尺度取得的研究成果;最后,对钨力学行为研究方面的重要问题做出展望.     

纳米晶铜单向拉伸变形的分子动力学模拟

纳米材料是由尺度在1－100nm的微小颗粒组成的体系，由于它具有独特的性能而备受关注。本文简要地回顾了分子动力学在纳米材料研究中的应用，并运用它模拟了平均晶粒尺寸从1．79－5．38nm的纳米晶体的力学性质。模拟结果显示：随着晶粒尺寸的减小，系统与晶粒内部的原子平均能量升高，而晶界上则有所下降；纳米晶体的弹性模量要小于普通多晶体，并随着晶粒尺寸的减小而减小；纳米晶铜的强度随着晶粒的减小而减小，显示了反常的Hall-Petch效应；纳米晶体的塑性变形主要是通过晶界滑移与运动，以及晶粒的转动来实现的；位错运动起着次要的、有限的作用；在较大的应变下（约大于5％），位错运动开始起作用；这种作用随着晶粒尺寸的增加而愈加明显。     

扭摆内耗仪的发明和内耗研究的开拓与发展

本文对笔者关于滞弹性内耗研究的早期工作（１９４５一１９４９年于芝加哥）作了历史回顾。概述用滞弹性测量方法研究了金属中晶粒间界和滑移带的力学性质,并为此目的而创制了扭摆内耗仪和转动线圈的扭转装置,从而可以用同一试样测定内耗、动态模量亏损,在恒应力下的蠕变和在恒应变下的应力弛豫。首次观测到晶粒间界内耗峰（作为温度的函数）,测出了晶界弛豫的激活能,提出了大角晶界的＂无序原子群＂模型;在部分再结晶的冷加工金属试样中观测到与滑移带弛豫有关的内耗峰,在冷加工并经过部分退火的含铜的铝中发现了反常内耗峰（作为温度和应变振幅的函数）。最后指出,近年来在晶界弛豫和位错弛豫的研究中发现了大量非线性滞弹性现象,基本上奠定了非线性滞弹性理论的实验基础,标志着非线性滞弹性这一新学科领域的开端。      

镍基单晶高温合金定向粗化行为及高温蠕变力学性能研究进展

镍基单晶高温合金是一种广泛应用于航空发动机和工业燃气轮机的两相叶片材料,由软的$\gamma $ 基体相和均匀镶嵌在其中的立方状 $\gamma'$ 沉淀强化相组成.它有个显著的特征,即在高温施加应力条件下, $\gamma '$沉淀相会发生定向粗化, 形成筏状.这种筏化行为直接影响了合金的蠕变疲劳寿命,是镍基单晶高温合金强化机制研究的重点. 此外,镍基单晶高温合金无晶界, 不存在高温晶界弱化、纵向晶界裂纹等问题.因此, $\gamma$/$\gamma'$相界面的位错运动、微观结构以及在载荷和温度作用下的演化决定了其蠕变力学性能.本文从镍基单晶高温合金的微观强化机制出发对定向粗化行为及蠕变力学性能进行了综述.重点介绍了定向粗化行为发生的微观机理、驱动力、影响因素和蠕变过程中界面微结构演化、蠕变力学模型以及定向粗化对高温蠕变力学性能的影响,指出了高温蠕变力学性能研究的发展方向和仍待解决的问题.      

含中心裂纹梯度纳晶金属的数值模拟

梯度纳晶金属由于其微观组织的梯度分布,力学属性也呈现梯度变化,这使得其表现出不同于传统均匀材料的断裂行为．利用材料力学参数的梯度分布来表征梯度纳晶金属中晶粒尺寸的梯度变化,并编写ABAQUS和MATLAB脚本程序建立分层有限元模型．通过数值模拟计算了含有初始中心裂纹的梯度纳晶金属在受远端均匀拉应力作用下的裂尖J积分,分别研究了屈服应力梯度、裂纹角度和裂纹长度对金属材料断裂韧性的影响,并与传统粗晶进行了对比．结果表明梯度纳米结构的存在导致梯度纳晶金属内部的中心裂纹两端表现出不同的断裂韧性,小晶粒一侧裂尖的抗裂韧性优于大晶粒一侧裂尖,且屈服应力梯度绝对值越大,两者差距越大．梯度纳晶金属的断裂韧性受中心裂纹角度和长度变化的影响与传统粗晶金属基本一致,同时在晶粒尺寸梯度的作用下梯度纳晶的裂尖J积分略低于粗晶,即整体上拥有更好的抗裂韧性．     

Scale effect and geometric shapes of grains

The rule-of-mixture approach has become one of the widely spread ways to investigate the mechanical properties of nano-materials and nano-structures,and it is very important for the simulation results to exactly compute phase volume fractions.The nanocrystalline(NC)materials are treated as three-phase composites consisting of grain core phase,grain boundary(GB)phase and triple junction phase,and a two-dimensional three-phase mixture regular polygon model is established to investigate the scale effect of mechanical properties of NC materials due to the geometrical polyhedron characteristics of crystal grain.For different multi-sided geometrical shapes of grains,the corresponding regular polygon model is adopted to obtain more precise phase volume fractions and exactly predict the mechanical properties of NC materials.     

A Review of Fatigue Behavior in Nanocrystalline Metals

Nanocrystalline metals have been shown to exhibit unique mechanical behavior, including break-down in Hall-Petch behavior, suppression of dislocation-mediated plasticity, induction of grain boundary sliding, and induction of mechanical grain coarsening. Early research on the fatigue behavior of nanocrystalline metals shows evidence of improved fatigue resistance compared to traditional microcrystalline metals. In this review, experimental and modeling observations are used to evaluate aspects of cyclic plasticity, microstructural stability, crack initiation processes, and crack propagation processes. In cyclic plasticity studies to date, nanocrystalline metals have exhibited strongly rate-dependent cyclic hardening, suggesting the importance of diffusive deformation mechanisms such as grain-boundary sliding. The cyclic deformation processes have also been shown to cause substantial mechanically-induced grain coarsening reminiscent of coarsening observed during large-strain monotonic deformation of nanocrystalline metals. The crack-initiation process in nanocrystalline metals has been associated with both subsurface internal defects and surface extrusions, although it is unclear how these extrusions form when the grain size is below the scale necessary for persistent slip band formation. Finally, as expected, nanocrystalline metals have very little resistance to crack propagation due to limited plasticity and the lack of crack path tortuosity among other factors. Nevertheless, like bulk metallic glasses, nanocrystalline metals exhibit both ductile fatigue striations and metal-like Paris-law behavior. The review provides both a comprehensive critical survey of existing literature and a summary of key areas for further investigation.     

Brittle versus ductile transition of nanocrystalline metals

The brittle versus ductile transition for conventional metals is dictated by the competition between dislocation emission and cleavage. For nanocrystalline metals with grain size below 25 nm, however, dislocation activities are suppressed and the classic theory fails to apply. In this paper, one of the competing mechanisms that control the brittle versus ductile transition of nanocrystalline metals is found to be the grain boundary dominated creep deformation versus the grain boundary decohesion. A model is proposed to quantify the crack propagation in nanocrystalline metals. The effects of material properties, initial configuration and applied loads on the property of crack propagation are addressed. It is concluded that either the increases in the initial crack length, the applied load and the grain boundary damage, or the deterrence in creep deformation, accelerate the crack propagation, and vice versa.     

THE RATE-INDEPENDENT CONSTITUTIVE MODELING FOR POROUS AND MULTI-PHASE NANOCRYSTALLINE MATERIAL

To determine the time-independent constitutive modeling for porous and multiphase nanocrystalline materials and understand the effects of grain size and porosity on their mechanical behavior, each phase was treated as a mixture of grain interior and grain boundary, and pores were taken as a single phase, then Budiansky's self-consistent method was used to calculate the Young's modulus of porous, possible multi-phase, nanocrystalline materials, the prediction being in good agreement with the results in the literature. Further, the established method is extended tosimulate the constitutive relations of porous and possible multi-phase nanocrystalline materials with small plastic deformation in conjunction with the secant-moduli approach and iso-strain assumption. Comparisons between the experimental grain size and porosity dependent mechanical data and the corresponding predictions using the established model show that it appears to be capable of describing the time-independent mechanical behaviors for porous and multi-phase nanocrystalline materials in a small plastic strain range. Further discussion on the modification factor, the advantages and limitations of the model developed were present.     

Defect redistribution within a continuum grain boundary plasticity model

The mechanical response of polycrystalline metals is significantly affected by the behaviour of grain boundaries, in particular when these interfaces constitute a relatively large fraction of the material volume. One of the current challenges in the modelling of grain boundaries at a continuum (polycrystalline) scale is the incorporation of the many different interaction mechanisms between dislocations and grain boundaries, as identified from fine-scale experiments and simulations. In this paper, the objective is to develop a model that accounts for the redistribution of the defects along the grain boundary in the context of gradient crystal plasticity. The proposed model incorporates the nonlocal relaxation of the grain boundary net defect density. A numerical study on a bicrystal specimen in simple shear is carried out, showing that the spreading of the defect content has a clear influence on the macroscopic response, as well as on the microscopic fields. This work provides a basis that enables a more thorough analysis of the plasticity of polycrystalline metals at the continuum level, where the plasticity at grain boundaries matters.     

Achieving high strength and high ductility in nanostructured metals: Experiment and modelling

Engineering nanostructures in metallic materials such as nanograins and nanotwins can promote plastic performance significantly. Nano/ultrafine-grained metals embedded in coarse grains called bimodal metals and nanotwinned polycrystalline metals have been proved to possess extensively improved yield strength whilst keeping good ductility. This paper will present an experimental study on nanostructured stainless steel prepared by surface mechanical attrition treatment (SMAT) with surface impacts of lower strain rate (10 s^?1–10³ s^?1) and higher strain rate (10⁴ s^?1–10⁵ s^?1). Microstructure transition has been observed from the original γ-austenite coarse grains to α′-martensite nanograins with bimodal grain size distribution for lower strain rates to nanotwins in the ultrafine/coarse grained austenite phase for higher strain rates. Meanwhile, we will further address the mechanism-based plastic models to describe the yield strength, strain hardening and ductility in nanostructured metals with bimodal grain size distribution and nanotwinned polycrystalline metals. The proposed theoretical models can comprehensively describe the plastic deformation in these two kinds of nanostructured metals and excellent agreement is achieved between the numerical and experimental results. These models can be utilized to optimize the strength and ductility in nanostructured metals by controlling the size and distribution of nanostructures.     

Effect of crystalline grain structures on the mechanical properties of twinning-induced plasticity steel

In order to improve the mechanical properties of twinning-induced plasticity steel, the grain morphology was tailored by different solidification technologies combined with deformation and heat treatment processing routes. Three typical grain morphologies, i.e., equiaxed, columnar as well as equiaxed/columnar grains were formed, and their mechanical behaviors were comparatively studied. Among the three materials, the equiaxed grain material exhibited the highest strength but the lowest plasticity. Depending on the grain size, the smaller the grain size, the higher the strength, but the lower the elongation. The columnar grain material possessed the most excellent plasticity but the weakest strength.These properties presented a non-monotonic dependence on the dendrite spacing, and the moderate spacing resulted in the optimum combination of strength and plasticity. The equiaxed/columnar grain coexisted material showed interesting properties, i.e., the strength and plasticity were just between those of single grain-shaped materials. The three materials also presented different strain hardening behaviors particularly in the uniform deformation stage. The equiaxed grain material showed a constant strain hardening rate, while the columnar grain and equiaxed/columnar grain materials showed a progressively increasing rate with increasing the true strain.     

THE RATE-INDEPENDENT CONSTITUTIVE MODELING FOR POROUS AND MULTI-PHASE NANOCRYSTALLINE MATERIALS

To determine the time-independent constitutive modeling for porous and multiphase nanocrystalline materials and understand the effects of grain size and porosity on their mechanical behavior, each phase was treated as a mixture of grain interior and grain boundary, and pores were taken as a single phase, then Budiansky's self-consistent method was used to calculate the Young's modulus of porous, possible multi-phase, nanocrystalline materials, the prediction being in good agreement with the results in the literature. Further, the established method is extended to simulate the constitutive relations of porous and possible multi-phase nanocrystalline materials with small plastic deformation in conjunction with the secant-moduli approach and iso-strain assumption. Comparisons between the experimental grain size and porosity dependent mechanical data and the corresponding predictions using the established model show that it appears to be capable of describing the time-independent mechanical behaviors for porous and multi-phase nanocrystalline materials in a small plastic strain range. Further discussion on the modification factor, the advantages and limitations of the model developed were present.