半结晶聚合物损伤演化的实验表征与数值模拟

损伤本构模型对研究材料的断裂失效行为有重要意义, 但聚合物材料损伤演化的定量表征实验研究相对匮乏. 通过4种高密度聚乙烯(high density polythylene, HDPE)缺口圆棒试样的单轴拉伸实验获得了各类试样的载荷-位移曲线和真应力-应变曲线, 采用实验和有限元模拟相结合的方法确定了HDPE材料不同应力状态下的本构关系, 并建立了缺口半径与应力三轴度之间的关系;采用两阶段实验法定量描述了4种HDPE试样单轴拉伸过程中的弹性模量变化, 并建立了基于弹性模量衰减的损伤演化方程, 结合中断实验和扫描电子显微镜分析了应力状态对HDPE材料微观结构演化的影响. 结果表明缺口半径越小, 应力三轴度越大, 损伤起始越早、演化越快; 微观表现为: 高应力三轴度促进孔洞的萌生和发展, 但抑制纤维状结构的产生;基于实验和有限元模拟获得的断裂应变、应力三轴度、损伤演化方程等信息提出了一种适用于聚合物的损伤模型参数确定方法, 最后将本文获得的本构关系和损伤模型用于HDPE平板的冲压成形模拟, 模拟结果与实验结果吻合良好.      

晶体生长过程实时监测系统

实时监测晶体生长过程对研究晶体生长动力学以及调控晶体生长过程有着很重要的意义。结合干涉技术、相移技术以及时间序列位相提取技术,建立了一个晶体生长过程实时监测系统。该系统主要由三条光束组成,通过设定快门参数组成不同的Mach-Zehnder干涉光路,可同时用于无机盐晶体和蛋白质晶体生长过程的实时定量监测。利用该系统及时间序列位相提取方法,对NaCl晶体在自然蒸发情况下的生长过程以及溶菌酶蛋白悬滴法结晶过程进行了研究,对该系统和方法在研究晶体结晶过程中的可行性及优势进行了验证。结果表明,该系统不仅可以获得晶体结晶过程中的实时绝对浓度、过饱和度等晶体生长动力学参数;而且对于蛋白质结晶过程,快门系统的引入解决了蛋白溶液多浓度场叠加的分离问题,在一个实验周期内获得了溶菌酶蛋白结晶过程中的实时蛋白浓度演变、实时沉淀剂浓度变化等结晶动力学参数。这些关键参数为下一步探索结晶条件对晶体质量的影响、分析蛋白结晶相图以及优化蛋白质晶体质量提供了定量数据基础。     

注塑成型充模过程的温度场计算

对注塑成型过程中充填阶段的非等温效应的数值模拟进行了研究 ,模拟了非牛顿流体在任意形状型腔内的流动。这里 ,数学模型是基于非牛顿流体在非等温状态下的广义 Hele-Shaw流动 ,利用有限元 /有限差分混合数值方法求解流场中的压力和温度分布     

薄板试样斜断口形成机制及损伤断裂过程分析

为分析不同材料和尺寸的薄板试样在室温下拉伸破坏后均形成与横截面夹角在20°~25°之间斜断口的原因,首先用统计方法对试样内随机分布微缺陷进行讨论,提出一种在宏观尺度上材料内微缺陷分布局部非均匀简化模型的假设.应用含孔材料损伤本构模型对含有不同方向微缺陷分布局部非均匀薄带区域的16MnNb薄板试样变形至破坏全过程进行数值模拟.结果表明,斜断口形成主要是由于试样内在与横截面夹角小于45°的带形区域内微缺陷分布局部非均匀造成,且与该带形区域在试样中位置无关;由于考虑微缺陷分布局部非均匀,得到试样的斜断口形成过程与试验现象完全一致;同时结合试验断口形貌,对变形过程中颈缩截面内损伤演化和破坏过程进行研究,进一步解释薄板试样的损伤破坏机制.     

EFP模拟弹丸侵彻陶瓷复合靶的数值模拟研究

运用LS_DYNA程序中描述陶瓷本构关系的JHC模型和二维轴对称拉格朗日算法,对EFP模拟弹丸侵彻不同厚度99氧化铝陶瓷块/金属复合靶试验进行了数值模拟,获得了侵彻过程中陶瓷的损伤演化和分布以及在A3钢背板中的侵彻深度,与实验结果进行了比对,总的侵彻深度基本相符。数值模拟和试验所得残余侵彻深度与陶瓷厚度之间基本上都呈一种良好的线性关系,因此所得质量防护系数和差分防护系数都随着陶瓷厚度的增加而增加。通过分析侵彻过程中的陶瓷损伤与演化发现:陶瓷块尺寸过小时会由于稀疏波作用使陶瓷抗弹性能下降。     

损伤演化对韧性金属碎裂过程的影响

固体在冲击拉伸载荷作用下会断裂成多个碎片,基于线性内聚力断裂假设的Mott-Grady模型能较好地预测碎裂过程所产生的平均碎片尺度的下限。然而实际上,韧性金属的损伤演化是多元化的,为此通过数值模拟方法研究了不同损伤演化规律对韧性碎裂过程的影响。利用ABAQUS/Explicit动态有限元软件数值再现了韧性金属杆（45钢）在高应变率下拉伸碎裂的过程,分析了线性和非线性损伤演化对韧性碎裂过程的影响规律。结果表明:损伤演化规律对韧性金属的碎裂过程具有显著影响,非线性指标α越大,碎裂过程产生的碎片数越少;Grady-Kipp碎裂公式仍能在一定范围内预测韧性碎裂过程中产生的碎片尺寸;当非线性指标α远大于零时,在较低冲击拉伸载荷作用下,数值模拟结果和Grady-Kipp模型预测值偏差较大,随着应变率增大,数值模拟结果与Grady-Kipp模型预测值吻合较好。     

增材制造微结构演化及疲劳分散性计算

为了预测增材制造中工艺参数?微结构?力学性能之间的关联规律, 提出了集成离散元、相场模拟、晶体塑性有限元和极值概率理论的计算方法, 揭示了激光扫描速度对微结构演化、屈服应力和疲劳分散性的影响. 首先, 采用离散元实现了重力作用下粉床在已凝固层表面上的逐层铺设; 其次, 通过热?熔体?微结构耦合的非等温相场模拟, 获得了熔体、气孔、晶界、晶粒取向等的时空演化以及最终形成的多晶微结构; 然后, 应用晶体塑性有限元计算了增材制造多晶微结构的宏观力学响应, 并得到表征疲劳裂纹萌生驱动力的疲劳指示参数(FIP); 最后, 采用极值概率理论分析了增材制造多晶微结构的FIP极值分布规律及疲劳分散性. 以316L不锈钢选区激光熔化增材制造为例的计算结果表明: 增材制造微结构的宏观屈服强度随激光扫描速度的增加而降低, 且呈各向异性; FIP极值符合Gumbel极值分布规律, 激光扫描速度增加可降低增材制造微结构疲劳分散性, 但会导致FIP极值升高, 使得疲劳裂纹萌生驱动力增加, 疲劳寿命降低.      

损伤统计演化方程的性质和数值模拟

通过对一种含成核尺寸效应的损伤统计演化方程性质的分析和数值模拟,揭示了损伤率主要是由微损伤在二维相空间中的前沿的运动所决定的这也就是Kachanov提出的损伤率演化方程的物理基础数值结果进一步显示了含成核尺寸效应模型在损伤发展上与-维模型的区别而且,由几种形式的细观动力学算出的损伤率与损伤的关系简单,可近似拟合为宏观上封闭的形式     

注塑成型喷射现象数值模拟及机理分析

喷射是熔体充填过程中一种特殊流动形态,也是注塑成型的不良现象,为了预测射流长度、形态演化,揭示喷射的产生机理,建立了粘性、非等温的熔体三维流动模型,构造了熔体流动前沿演化的输运方程。用有限体积法离散控制方程,提出了压强与速度及速度与温度的两重解耦合方案,开发了模拟程序,分析了模拟成型过程中粘性力、惯性力、速度、温度、压力等物理量的大小及变化规律。基于模拟结果分析了粘性力、惯性力的大小对喷射的影响,发现:当惯性力大于粘性力时产生喷射现象,随着粘性力增大,射流变为蛇形流;射流长度依赖于注射速度,速度越大,射流越长,熔体温度对射流长度基本没有影响。此外,实验结果表明,注塑成型喷射现象数值模拟及机理分析方法可以较好地预测射流长度、蛇形流的形态以及蛇形流中、后端摆动幅度。     

陶瓷和金属微波烧结在线实验及微观机理分析

为研究陶瓷和金属微波烧结时的微观演化机理,从而为优化不同材料的烧结过程提供依据,本文采用同步辐射技术对陶瓷(SiC)和金属(Al)的微波烧结微结构演化过程进行实时、无损的观测,并结合有限元模拟分析两者的微结构演化特征及微观机理。通过滤波反投影等数字图像处理技术得到烧结过程中样品内部的二维、三维重建图像,清晰地观察到SiC和Al在颗粒表面和界面演化上存在差异。定量地统计了陶瓷和金属烧结颈相对尺寸与时间的双对数关系,并与陶瓷和金属双球模型的微波烧结模拟结果进行了对比。运用模拟分别对实验中的烧结颈和微观形貌演化进行分析,得出结论:陶瓷和金属微波烧结时的加热机制不同,分别为整体介质损耗加热和表面涡流损耗加热。陶瓷的整体加热将会在材料内部特别是界面产生较高的温度,而金属的表面加热使颗粒表面温度高于界面。由相应的加热机制产生的温度分布差异,将会对材料的物质扩散过程产生不同程度的影响,进而产生不同的微结构。     

Thermally and flow induced crystallization of polymers at low shear rate

In semi-crystalline thermoplastic products, final properties are strongly dependent on the thermo-mechanical history experienced by the polymer melt during processing. More precisely, structural heterogeneities such as rigidity gradients and shrinkage anisotropy are directly related to the crystalline microstructure. Therefore, accurate prediction of part properties by a processing computer simulation code requires the implementation of an appropriate crystallization kinetics model, including both the effects of thermally and flow induced structure development. One issue is the necessity to improve the modeling of shear/extensional experimental data by relating the crystallization accelerating factors to an easily accessible material related variable. Several authors modeled the effect of the flow on the crystallization kinetics by using the isokinetic approach of Nakamura. Often, the resulting kinetic equations of these models account only for the evolution of the crystallinity fraction α leaving the influence of crystalline morphology aside. We may quote the work of Guo and Narh [1], which connects the flow influence on the crystallization rate to the increase in the thermodynamic melting temperature in the Nakamura model. In 2005, R.I. Tanner presented a comparison of some models describing the polymer crystallization at low shear deformation rates under isothermal conditions. Based on Tanner's study, we developed a model of crystallization at low shearing, applied to non-isothermal flows, using only macroscopic measurable parameters. The key features of the concentrated suspension theory were used to characterize the effect of crystallization on the viscosity. In addition, we assumed that the flow generates additional crystallization nuclei via a parameter which combines the deformation and the deformation rate. The concept of germination-growth is introduced using the fundamentals of the Avrami–Kolmogorov theory, coupled with a modified Schneider's approach. The model is applied to a polypropylene, in a cooled Couette flow configuration. The results show the enhancement of the crystallization kinetics due to the shearing. The definition of global parameters simplifies the type and the number of experiments needed for the model parameter identification. The use of Schneider's approach leads to a new way of discriminating the relative roles of the flow and the temperature on the crystallization phenomenon. The competition between the two driving causes is presented and discussed: at low cooling rate or at high temperature, the shearing effect predominates. Other interesting results show the size distribution of the spherulites as well as the volume proportion for each crystalline size in the polymer.     

Discrete dislocation dynamics modelling of mechanical deformation of nickel-based single crystal superalloys

Discrete dislocation dynamics (DDD) has been used to model the deformation of nickel-based single crystal superalloys with a high volume fraction of precipitates at high temperature. A representative volume cell (RVC), comprising of both the precipitate and the matrix phase, was employed in the simulation where a periodic boundary condition was applied. The dislocation Frank-Read sources were randomly assigned with an initial density on the 12 octahedral slip systems in the matrix channel. Precipitate shearing by superdislocations was modelled using a back force model, and the coherency stress was considered by applying an initial internal stress field. Strain-controlled loading was applied to the RVC in the [0 0 1] direction. In addition to dislocation structure and density evolution, global stress-strain responses were also modelled considering the influence of precipitate shearing, precipitate morphology, internal microstructure scale (channel width and precipitate size) and coherency stress. A three-stage stress-strain response observed in the experiments was modelled when precipitate shearing by superdislocations was considered. The polarised dislocation structure deposited on the precipitate/matrix interface was found to be the dominant strain hardening mechanism. Internal microstructure size, precipitate shape and arrangement can significantly affect the deformation of the single crystal superalloy by changing the constraint effect and dislocation mobility. The coherency stress field has a negligible influence on the stress-strain response, at least for cuboidal precipitates considered in the simulation. Preliminary work was also carried out to simulate the cyclic deformation in a single crystal Ni-based superalloy using the DDD model, although no cyclic hardening or softening was captured due to the lack of precipitate shearing and dislocation cross slip for the applied strain considered.     

椭圆截面侵彻弹体爆炸特性试验研究

为研究椭圆截面侵彻弹体的爆炸特性,设计并开展了静爆威力外场试验。将质量为255 kg的弹体竖立于木质托弹架上,质心距地面高度为2 m,采用试验引信起爆弹体装药。通过航拍无人机实时拍摄整个爆炸过程,在长轴和短轴方向布置扇形效应钢板以获取破片数量及穿甲率,采用超压传感器测量距弹轴7、10和12 m处的冲击波超压,并对弹体爆炸后的宏观景象以及火球、破片和冲击波超压特性进行了详细分析。结果表明,火球演化形貌与破片散布区域关于弹体长轴和短轴呈对称分布;火球演化过程分为快速成长阶段、高温稳定阶段以及自由扩散阶段,火球尺寸在爆炸后41.7 ms达到最大,短轴和长轴方向的最大尺寸分别为21.86、19.29 m,且火球在长轴方向发生了明显的二次膨胀;短轴方向的破片尺寸小、数量多、穿甲能力强,而长轴方向的破片特性恰好相反;冲击波超压峰值、冲量及速度均随传播距离增大而不断减小。综合试验结果对比分析,认为椭圆截面侵彻弹体的非轴对称结构和非均匀壁厚对爆炸特性影响较大,是造成火球形貌及破片非轴对称分布的根本原因。     

半晶态聚合物拉伸变形的微观机理

应用大规模分子动力学方法,采用粗粒化聚乙烯醇模型,模拟了晶区与非晶区随机交杂的半晶态聚合物模型系统,研究了半晶态聚合物在单轴拉伸变形过程中的应力-应变行为和微观结构演变.应力-应变曲线表现出4个典型变形阶段:弹性变形、屈服、应变软化和应变强化.在拉伸变形过程中,主要存在晶区折叠链之间的滑移、晶区破坏、非晶区的解缠结,以及分子链沿拉伸方向重新取向等4种主要的微结构演变形式.在屈服点附近,晶区分子链之间排列紧密程度减小而发生滑移,之后晶区变化需要的应力变小,从而形成应变软化现象.随着应变的增大,经各分子链段协同作用使非晶区分子链的解缠结和重新取向行为扩展到相对宏观尺度,导致拉伸应力增大而形成应变强化现象.      

高分子材料注塑固化阶段的残余应力分析

在结晶性高分子材料注塑过程的固化阶段，温度分布、材料细观结构和应力应变之间相互耦合，因而其变化规律非常复杂．本文在井上等人考虑材料细观结构变化的金属热加工工艺应力分析［３～６］的基础上，发展了一套用于高分子注塑固化阶段残余应力分析的本构描述和有限元分析方法．在本构模型中，同时考虑了温度变化、结晶和“冻结取向”对变形的贡献．     

The impact of blue organic and inorganic pigments on the crystallization and rheological properties of isotactic polypropylene

Viscosity behavior is used to illustrate the relative sensitivity of the rheological properties to the morphological structure imposed by the presence of organic copper phthalocyanine and inorganic ultramarine blue pigments in isotactic polypropylene. While the inorganic pigment showed a small effect, the organic pigment was responsible for greatly increasing the nucleation rate and rapidly increasing the viscosity. This was also accompanied by a lowering of the degree of supercooling and the formation of a fibrous morphology. The results indicate that copper phthalocyanine is an excellent nucleating agent, drastically reducing the onset time of crystal formation and increasing the crystallization kinetics. Dynamic rheological properties also suggest that the organic pigment acts as a softening agent in the supercooled melt. Percent concentration and shear rate were not found to be major factors accelerating the rate of crystallization. This study details contributing factors including the particle size differences of the pigments under scanning electron microscopy, which provides further insight into the non-spherulitic morphology observed under a Linkam device. A possible correlation between the pigment morphology, the crystallization kinetics and rheology is discussed.     

基于数字图像处理的含缺陷花岗岩破裂力学分析1）

在细观尺度上,采用数字图像处理技术研究花岗岩中由石英、长石和云母等材料的形状、大小及分布对花岗岩材料造成的非均匀性,结合RFPA-DIP 程序建立了能准确反映材料真实细观结构的含缺陷花岗岩数值模型,并进行了常规单轴压缩模拟试验,研究不同矿物颗粒结构与缺陷对其细观破裂力学行为的影响,再现了外载荷作用下不同数值模型的真实破裂过程与最终破坏模式. 试验结果表明:缺陷对试样强度的影响比改变矿物颗粒的形态构造对其强度的影响更加显著,缺陷的存在削弱了颗粒形态对花岗岩强度影响的能力;缺陷及矿物颗粒的形态构造对试样裂纹的萌生、扩展以及最终破坏模式有直接影响,缺陷与矿物颗粒的空间结构关系是导致岩石形成各种复杂破坏模式的主要因素. 起裂应力水平受试样内部细观介质构造和缺陷的影响,而缺陷的存在对起裂应力的影响更加显著.     

离散元法铁粉末压制中粒径分布对力链演化机制的影响

为阐明粒径分布对铁粉压制中体系内部细观力学行为的影响, 基于离散元理论, 通过改变铁粉颗粒粒径分布建立压制模型, 结合力链提取方法, 通过对力链空间分布、力链数目、力链长度和力链方向性的分析, 探究粒径分布对力链演化的影响机理. 研究结果表明: 不同粒径分布的粉体压制时形成的力链空间分布具有差异, 粒径分布范围越小, 形成的力链分布越集中, 反之, 粒径分布范围越大, 形成的力链分布越松散且均匀; 在粉末压制时, 粒径分布对力链数目也有影响, 具体表现为随着粉体的粒径分布范围变大, 力链总数逐渐减少; 粉体的粒径分布对颗粒形成短力链的数目起着显著影响, 而对力链长度的影响较为有限; 随着粒径分布范围的增大, 力链的方向由均匀分布逐渐集中在特定角度方向, 表现出一定各向异性, 形成的交叉力链网络结构有利于提高粉体致密化程度. 本文为从粉体粒径分布影响层面拓展粉末压制细观力学理论提供基础, 亦为进一步结合粉体粒径分布及体系内力链演变过程改善粉末致密化行为提供指导.      

Rheology of polymer blends with matrix-phase viscoelasticity and a narrow droplet size distribution

A Hamiltonian framework of non-equilibrium thermodynamics is adopted to construct a set of dynamical continuum equations for a polymer blend with matrix viscoelasticity and a narrow droplet size distribution that is assumed to obey a Weibull distribution function. The microstructure of the matrix is described in terms of a conformation tensor. The variable droplet distribution is described in terms of two thermodynamic variables: the droplet shape tensor and the number density of representative droplets. A Hamiltonian functional in terms of the thermodynamic variables is introduced and a set of time evolution equations for the system variables is derived. Sample calculations for homogenous flows and constant droplet distribution are compared with data of a PIB/PDMS blend and a HPC/PDMS blend with high viscoelastic contrast. For the PIB/PDMS blend, satisfactory predictions of the flow curves are obtained. Sample calculations for a blend with variable droplet distribution are performed and the effect of flow on the rheology, droplet morphology, and on the droplet distribution are discussed. It is found that deformation can increase or decrease the dispersity of the droplet morphology for the flows investigated herein.