α-Fe纯I型裂纹扩展中位错形成过程的三维分子动力学模拟

通过分子动力学方法模拟了三维 α-Fe I型裂纹的单向拉伸实验中的裂纹扩展过程。研究了在不同温度下裂纹扩展时位错的形成过程和断裂机理。计算结果表明,裂纹扩展过程是位错不断发射的过程。 裂纹尖端附近先形成无位错区和层错,当裂纹处应力增加到KI=0.566 MPam1/2时,裂纹尖端附近的某一层原子会逐渐分叉形成两层原子,分层后的原子层继续分离形成位错;当应力KI 达到0.669MPam1/2时第一个位错发射。随着温度的升高,临界应力强度因子逐渐降低,同时位错发射也相应地加快。     

α-Fe纯I型裂纹扩展中位错形成过程的三维分子动力学模拟

通过分子动力学方法模拟了三维 α-Fe I型裂纹的单向拉伸实验中的裂纹扩展过程。研究了在不同温度下裂纹扩展时位错的形成过程和断裂机理。计算结果表明,裂纹扩展过程是位错不断发射的过程。 裂纹尖端附近先形成无位错区和层错,当裂纹处应力增加到KI=0.566 MPam1/2时,裂纹尖端附近的某一层原子会逐渐分叉形成两层原子,分层后的原子层继续分离形成位错;当应力KI 达到0.669MPam1/2时第一个位错发射。随着温度的升高,临界应力强度因子逐渐降低,同时位错发射也相应地加快。     

纳观尺度裂纹扩展微观机理的晶体相场法研究

采用晶体相场方法模拟不同预变形量的样品在单轴拉应变作用下的纳观裂纹扩展行为.观察纳观尺度的裂纹演化过程,结果表明：对于无预变形的样品,在拉应变作用下,由于裂口处应变集中,当应变量达到临界值时,裂口开始起裂并伴随位错出现,随着裂尖的前进位错伴随着裂尖而滑移.对于预变形的样品,在较小的临界应变值裂口起裂,且预变形量越大,裂纹越易起裂和扩展.在裂纹扩展早期阶段呈现出扩展-转向-扩展的长大特征,其本质是裂纹扩展由于裂尖附近的位错滑移受阻引起应变集中,造成主次原子晶面方向的原子键交替断裂,使得裂尖扩展沿[√3,1]和[√3,-1]方向交替改变而前进,裂纹边缘呈锯齿形状.样品的裂纹扩展后期出现显著的类似解理裂纹扩展行为,解理方向沿[√3,1]和[√3,-1]方向,且预变形量大的样品裂纹解理扩展更明显且扩展较快.     

含有缺陷3C-SiC陶瓷拉伸性能的分子动力学模拟

SiC纤维增韧SiC基复合材料(SiC_f/SiC)由于其优越的性能而成为新一代核能系统重要候选材料之一.材料中的缺陷会使材料的力学性能发生变化,本文运用分子动力学程序LAMMPS模拟计算了分别含有空位、微空洞和反位替代三种缺陷的3C-SiC结构体系沿[100]方向的拉伸变形过程,原子间相互作用采用Tersoff多体势描述.通过模拟得到不同缺陷体系的应力—应变曲线和拉伸过程中体系能量,通过分析应力-应变曲线,得到了不同缺陷体系的杨氏模量、断裂应变、拉伸强度随缺陷"浓度"的变化关系,最后分析了3C-SiC拉伸断裂机理.研究结果表明,空位和微空洞对杨氏模量、拉升强度的影响类似,都是随着缺陷"浓度"的增加而减小,反位替代缺陷使体系的杨氏模量随缺陷"浓度"的增加而增大.     

基于$lt;i$gt;J$lt;/i$gt;积分的颗粒煤岩单轴压缩下裂纹扩展研究

颗粒煤岩是由众多离散的煤岩颗粒组成的固态多层次多结构物质,具有煤岩与颗粒物质的双重性质,其裂纹扩展规律可以从煤岩力学特性和颗粒物质多尺度特性进行研究. 首先,从能量角度对线弹性材料受压破坏,裂纹扩展产生原因进行了阐述,指出线弹性阶段裂纹的扩展动力源自应变能的释放. 然后,通过物理实验和数值试验从宏观和细观两方面对颗粒煤岩受压破裂过程中裂纹扩展做了进一步研究,结果表明:颗粒煤岩完全破裂后,底部会形成一个锥形堆,裂纹的扩展随着煤岩颗粒粒径的减小而减缓,部分裂纹扩展会出现突变点,且裂纹无光滑性;由于煤岩颗粒粒径等引起介质的非均匀性对裂纹扩展有重要的影响,均质度系数越大裂纹起裂时间越晚,声发射能量释放在裂纹扩展的轻度、中度和深度三个不同阶段逐渐变得频繁、剧烈. 研究结果将有利于进一步研究岩土类颗粒材料受压破裂过程的裂纹扩展规律. 关键词： J积分')" href="#">J积分 颗粒煤岩 单轴压缩 裂纹扩展     

晶体相场法模拟微裂纹的扩展行为

用晶体相场模型模拟预变形条件下的单轴拉伸的裂纹扩展行为.展示出裂纹扩展过程的演化图。从裂纹演化图可以清楚的观察到,随着应变量的增加,裂纹长度增加,裂纹呈钝化-扩展-钝化的扩展模式,裂纹形状为锯齿形:随着预变形量的增加,解理方式的裂纹扩展减弱,转变成锯齿形状的裂纹扩展方式。     

β-SiC单晶块体拉伸变形行为分子动力学研究

用分子动力学方法研究面心立方SiC(β-SiC)、C元素置换掺杂β-SiC单晶块体体系[001]向拉伸变形行为,对体系的拉伸断裂微观机理和5×10⁸/s,1×10⁹/s,1×10¹⁰/s三种应变速率下的力学行为进行分析.发现当拉伸应变量达到某个临界值后,Si-C sp³,C-C sp³键会分别向Si-C sp²和C-C sp²弱键转化.形成一定量sp²键后,β-SiC内部出现孔洞并发生断裂.由于C-C sp³键比Si-C sp³键更易向sp²弱键转化,导致C元素掺杂会降低SiC的强度、弹性模量和拉伸断裂应变.此外还发现此三种应变速率不影响β-SiC的杨氏模量,但影响其拉伸强度.     

双轴应变条件下单层MoSe2电子结构和拉曼光谱的第一性原理计算

二硒化钼的层间相互作用强,单层结构具有更低的带隙和更好的稳定性.由于独特的光学性质和优异的电学性能受到研究人员的广泛关注.本文基于密度泛函理论的第一原理,计算和分析了在双轴拉伸压缩应变条件下单层MoSe₂能带结构,拉曼光谱和声子谱的变化规律以及性质产生的原因.在拉伸压缩应变作用下,直接带隙转变为间接带隙.当拉伸应变达到12%时,材料发生半导体-金属相变.当压缩应变达到6%时,声子谱中开始出现虚频率,表明结构开始变得不稳定.     

FeCoCrCuNi高熵合金裂纹及孔洞结构的力学与微观构象演化的分子动力学模拟研究

本文采用分子动力学模拟研究了FeCoCrCuNi高熵合金裂纹和孔洞结构在不同轴向拉伸速率下的力学与微观结构演化机理.结果表明:应变速率越高FeCoCrCuNi裂纹结构对应更高的过冲应变和过冲应力,其主要原因是高拉伸速率会导致高强度的BCC结构及孪晶结构的生成,而BCC结构及孪晶结构的产生进而会抑制应力的下降,通过应力-应变曲线,可知FeCoCrCuNi裂纹模型在轴向应力作用下表现为塑性形变.对于不同尺寸的孔洞FeCoCrCuNi裂纹模型的应力结构分析,可以得出:孔洞尺寸越大, FeCoCrCuNi裂纹结构对应的过冲应变和过冲应力越小,其主要原因是大尺寸的孔洞造成孔洞之间产生裂纹的,进而会影响这个材料的屈服应变和屈服强度.     

表面氢对裂纹扩展的影响

暴露于含氢环境的金属表面会吸附氢原子,从而影响材料性能,一定情况下会导致氢脆.这篇文章主要通过分子动力学研究氢从α-Fe自由表面扩散到裂纹面的过程、和表面氢对裂纹扩展的影响.结果表明,在室温下,吸附在表面的氢原子很难直接从自由表面扩散到内部成为溶解氢;自由表面的氢原子会逐步向裂纹表面扩散,最后富集在裂纹表面和自由表面.当表面氢浓度较低时,氢对裂纹扩展影响很小,但是当裂纹表面的氢达到一定浓度时,会导致裂纹失稳扩展,造成严重的氢脆.     

Path prediction of kinked and branched cracks in plane situations

Using the asymptotic expansion of the stress field ahead a curved extension of a straight crack, some general results on the paths selected by kinked and branched cracks are derived. When dealing with the dynamic branching instability of a single propagation crack, the experimentally observed shape of the branches is recovered without introducing any adjustable parameter. It is shown that the length scale introduced by the curved extension of the branches is given by the geometrical length scale of the experiment. The theoretical results agree quantitatively with the experimental findings.     

3D打印贝壳仿生复合材料的拉伸力学行为

采用硬质和软质双组分材料,通过调控两种基体材料的装配夹角,采用光固化3D打印技术制备了不同装配方式的仿贝壳珍珠层复合材料,开展了准静态拉伸实验,结合扫描电镜观察,分析了其拉伸力学性能、断裂及能量耗散机理。研究结果表明,保持胞元边长不变,随着面内装配角度增加,仿贝壳珍珠层复合材料的强度呈线性增加趋势,断裂应变呈线性减小的趋势;随着面外装配角度增大,断裂应变呈线性减小趋势,而强度在面外装配角小于45°时呈增强趋势,超过45°时趋于稳定;面外装配角度为45°时,材料的强度达到最大值。试样在断裂前主要通过硬质材料的拔出、软/硬相界面处微裂纹的生成及微裂纹在扩展过程中的合并和偏转等方式耗散能量。     

Localization of plastic strain under shock-wave loading of titanium alloy with a crack

The effect of shock-wave loading with an amplitude of 4 GPa and a duration of 10 μs on the localization of plastic flow and the dynamic fracture of VT-1 cast titanium alloy containing a disk-shaped crack is considered. It is found that the crack size decreases in the direction of shock wave propagation, the dislocation density grows and adiabatic shear bands appear near the crack, and secondary cracks originate in the areas of localized flow near the crack edges. The strain, strain rate, dislocation density, rate of dislocation generation, and dislocation velocity near and away from the healing crack are estimated.     

A convective instability mechanism for quasistatic crack branching in a hydrogel

Experiments on quasistatic crack propagation in gelatin hydrogels reveal a new branching instability triggered by wetting the tip opening with a drop of aqueous solvent less viscous than the bulk one. We show that the emergence of unstable branches results from a balance between the rate of secondary crack growth and the rate of advection away from a non-linear elastic region of size G/E , where G is the fracture energy and E the small strain Young modulus. We build a minimal, predictive model that combines mechanical characteristics of this mesoscopic region and physical features of the process zone. It accounts for the details of the stability diagram and lends support to the idea that non-linear elasticity plays a critical role in crack front instabilities.     

Effect of periodic surface cracks on the interfacial fracture of thermal barrier coating system

Periodic surface cracks and interfacial debonding in thermal barrier coating (TBC) system may be induced during cooling process. The objective of this work is to investigate the effect of periodic surface cracks on the interfacial fracture of TBC system. The finite element method (FEM) incorporating cohesive zone model is used in analysis. It is found that surface crack spacing has significant effect on the initiation and propagation of short interface crack. Three different regions are identified for describing the effect of surface crack spacing. In Region I the interface crack driving force is dramatically reduced due to high surface crack density. In this case, the initiation of interfacial delamination can be delayed. Region II applies as the surface crack spacing is moderate. Analysis of this transition zone brings to the definition of normalized critical surface crack spacing. Region III arises for sufficient large surface crack spacing. In this case, the interface crack driving force reaches a steady state, where the effects of adjacent surface cracks are relatively insignificant and can be ignored. It can be concluded that an appropriately high surface crack density can enhance the durability of TBC system.     

Real-time quantitative optical method to study temperature dependence of crack propagation process in colloidal photonic crystal film

A real-time quantitative optical method to characterize crack propagation in colloidal photonic crystal film(CPCF)is developed based on particle deformation models and previous real-time crack observations. The crack propagation process and temperature dependence of the crack propagation rate in CPCF are investigated. By this method, the crack propagation rate is found to slow down gradually to zero when cracks become more numerous and dense. Meanwhile, with the temperature increasing, the crack propagation rate constant decreases. The negative temperature dependence of the crack propagation rate is due to the increase of van der Waals attraction, which finally results in the decrease of resultant force. The findings provide new insight into the crack propagation process in CPCF.     

基于FBG反射谱特征的修补结构裂纹扩展监测

为了提高飞行器壁板裂纹修补结构的安全性,对基于光纤布拉格光栅(FBG)反射谱特征的航空铝合金修补结构疲劳裂纹扩展长度及角度监测方法进行了研究。修补结构在疲劳载荷的作用下,裂纹发生扩展,其尖端附近会产生不均匀应变场,在其作用下FBG传感器反射谱发生变形,通过检测反射谱变形达到监测裂纹扩展的目的。建立了实验样件的模型,使用有限元方法计算得到不同角度下裂纹扩展到不同长度时的应变分布,使用传输矩阵数值计算方法得到相应的FBG反射谱。提取反射谱的主峰偏移、反射谱面积、次峰峰值和三峰峰值等变形特征,建立并训练人工神经网络(ANN),通过ANN建立反射谱变形特征同裂纹扩展情况的关系,实现了对修补结构裂纹扩展的精确监测,监测裂纹长度误差在0.5 mm之内,角度误差在5°之内。解决了修补结构的裂纹扩展精确监测问题,对提高飞行器安全以及节约维护成本有着重要意义。     

The surface cracking behavior in air plasma sprayed thermal barrier coating system incorporating interface roughness effect

The objective of this work is to understand the effect of interface roughness on the strain energy release rate and surface cracking behavior in air plasma sprayed thermal barrier coating system. This is achieved by a parameter investigation of the interfacial shapes, in which the extended finite element method (XFEM) and periodic boundary condition are used. Predictions for the stress field and driving force of multiple surface cracks in the film/substrate system are presented. It is seen that the interface roughness has significant effects on the strain energy release rate, the interfacial stress distribution, and the crack propagation patterns. One can see the completely different distributions of stress and strain energy release rate in the regions of convex and concave asperities of the substrate. Variation of the interface asperity is responsible for the oscillatory characteristics of strain energy release rate, which can cause the local arrest of surface cracks. It is concluded that artificially created rough interface can enhance the durability of film/substrate system with multiple cracks.     

晶体相场法研究应力状态及晶体取向对微裂纹尖端扩展行为的影响

采用晶体相场模拟研究了单向拉伸作用下初始应力状态、晶体取向角度对单晶材料内部微裂纹尖端扩展行为的影响, 以(111)晶面上的预制中心裂纹为研究对象探讨了微裂纹尖端扩展行为的纳观机理, 结果表明: 微裂纹的扩展行为主要发生在<011>(111)滑移系上, 扩展行为与扩展方向与材料所处的初始应力状态及晶体取向紧密相关. 预拉伸应力状态将首先诱发微裂纹尖端生成滑移位错, 进而导致晶面解理而实现微裂纹尖端沿[011]晶向扩展, 扩展到一定程度后由于位错塞积, 应力集中, 使裂纹扩展方向沿另一滑移方向[101], 并形成锯齿形边缘; 预剪切应力状态下, 微裂纹尖端首先在[101]晶向解理扩展, 并诱发位错产生, 形成空洞聚集型长大的二次裂纹, 形成了明显的剪切带; 预偏变形状态下微裂纹尖端则直接以晶面解理形式[101]在上进行扩展, 直至断裂失效; 微裂纹尖端扩展行为随晶体取向不同而不同, 较小的取向角度会在裂纹尖端形成滑移位错, 诱发空位而形成二次裂纹, 而较大的取向角下的裂纹尖端则以直接解理扩展为主, 扩展方向与拉伸方向几近垂直.