基于多尺度特征应变均匀化计算HCP多晶体塑性

结合基于位错密度的晶体塑性模型与特征应变均匀化方法来分析HCP晶体结构材料的力学行为,拟开发一种计算模型用于有效捕捉以及预测微观与结构尺度的裂纹产生。首先,与传统的晶体塑性有限元相比,该多尺度模型可以提高计算效率并同时保持微观尺度的捕捉精度。其次,将模型与试验结果的差值为优化目标,在满足物理学定义的条件下得到合理的材料参数。最终,结构尺度的模拟显示该模型可以获取在结构尺度与微观晶粒尺度的潜在裂纹生长区域。     

材料三维微结构表征及其晶体塑性有限元模拟

材料的力学性能，尤其是在有限变形下所呈现的宏观各向异性，是材料结构设计和服役寿命考虑的关键因素。由于宏观模型不能较好地反映材料微观结构（晶粒的形貌和取向等）对宏观塑性各向异性的影响，因此，本文建立了能实际反映晶粒形貌的三维Voronoi模型，并基于晶体塑性理论对铝合金在有限变形下的响应进行计算。首先，建立反映材料微结构的代表性体积单元RVE模型进行计算，并与实验结果进行对比验证。然后，以单向拉伸为例，分析了有限变形过程中试件的晶粒形貌和取向分布等微观因素对宏观各向异性演化的影响，并从材料和结构两个层面讨论了微观结构对宏观力学性能的影响。结果表明，本文模型能够反映微观结构对宏观力学性能的影响，为实际生产制造领域构件的力学性能提供可靠的预测。     

考虑尺寸效应的多晶金属循环塑性分析

本文采用多晶塑性分析方法,设材料点包含一定数量的各向异性单晶晶粒并考虑晶粒尺寸的影响,计算材料点的应力和应变时利用了Taylor假设。模型引入考虑尺寸效应的晶体滑移硬化函数,同时针对晶体滑移引入背应力及其方向性硬化的描述,以反映不同晶粒尺寸材料在循环加载条件下的力学行为。利用该模型,本文第一作者采用显式格式编制了与ABAQUS商用有限元软件接口的用户材料子程序（VUMAT）,实例计算证实该模型可以反映和描述多晶金属材料在材料反复加载条件下的循环塑性行为与尺寸效应。     

固体力学跨尺度计算若干问题研究

本文展示了固体力学领域跨尺度计算的若干问题和研究概况。（1）建立位错动力学与有限元耦合DDD-FEM的计算模型,实现了能够基于纳米尺度离散位错运动机制计算分析连续介质有限变形晶体塑性问题,提出微纳尺度（200 nm~10 μm）晶体塑性流动应力解析公式,结合试验数据揭示了在无应变梯度下强度和变形的尺寸效应;（2）建立具有微相分离结构的纳米尺度粗粒化分子动力学模型CG-MD,计算获得聚脲材料在时域和频域下的存储模量和损耗模量,通过动态加载分析的DMA试验和超声波试验的数据验证,解决了连续介质尺度下微相分离高分子共聚物的设计难题;（3）通过数据驱动关联高分辨率的微米尺度CT影像和临床低分辨率的毫米尺度CT影像的特征值,建立了围关节松质骨小梁的等效模量和结构张量,为骨组织增材制造点阵结构设计和实现个性化骨缺损重建奠定了基础。     

基于晶体塑性理论研究铝材料高压高应变率下的强度特性

为了了解金属材料在极端加载下复杂动态响应过程中的多种机制和效应，重点针对Al材料在高压、高应变率加载下的塑性变形机制，在经典晶体塑性模型的基础上，对其中的非线性弹性、位错动力学和硬化形式进行改进，建立适用于高压、高应变率加载下的热弹-黏塑性晶体塑性模型。该模型可以较好地描述单晶铝和多晶铝材料屈服强度随压力的变化过程，相比宏观模型，用该模型还获得了多晶Al材料在冲击加载下的织构演化规律，揭示了织构择优取向行为和压力的关系。     

HILL屈服准则与晶体塑性模型对FCC单晶材料塑性各向异性描述能力的比较

采用宏观HILL模型和晶体塑性模型对面心立方单晶(FCC)材料的非均匀交形进行了数值模拟，意在比较两种不同尺度的模型对塑性各向异性的描述能力的差异。为了使两种模型具有可比性，对于FCC单晶材科，本文提出一种用晶体塑性模型来确定HILL模型中各向异性参数的标定方法。数值分析表明，两类模型对单晶体塑性各向异性的描述能力存在着差异。对FCC单晶材料，HILL模型对各向异性的预测能力没有晶体塑性模型细致，晶体塑性模型更能追踪塑性各向异性的变化。但两种模型对应力应变响应预测的趋势是一致的。对两种模型描述的差异，做了详细的分析。     

亚微米尺度晶体反常规塑性行为的离散位错研究进展

近十年来, 随着实验技术的发展, 人们对亚微米尺度晶体材料塑性行为的研究和认识不断深入, 实验观测到许多由离散位错主导的新的应力\!--\!应变现象, 它们是基于宏观尺度的经典塑性理论和基于微米尺度的应变梯度塑性理论所无法阐释的. 研究者们试图寻求新的理论模型和计算方法, 提出了考虑位错近程相互作用由背应力主导的缺陷能理论和以离散位错动力学为代表的亚微米尺度晶体塑性计算方法, 旨在描述位错形核、增殖、匮乏和湮灭, 揭示该尺度下塑性流动的机理. 本文从实验观测数据、理论分析模型、离散位错动力学及其与之耦合的连续介质力学计算方法等方面, 综述了亚微米尺度晶体反常规塑性行为的离散位错研究进展.      

考虑晶体滑移面分解正应力的细观损伤模型

材料内部的解理、滑移面剥离等细观损伤是引起宏观失效的根源, 从细观尺度研究损伤的发生和发展有助于深入认识材料的变形和失效过程. 本文基于晶体塑性理论, 从滑移系的受力和变形出发研究材料的细观损伤, 建立了考虑滑移面分解正应力的细观损伤模型, 为晶体材料解理断裂的分析提供了新方法. 首先, 在晶体弹塑性变形构型的基础上引入损伤变形梯度张量的概念, 从变形运动学着手建立了考虑损伤能量耗散的本构方程, 并推导了塑性流动方程与损伤演化方程; 然后, 建立了相应的数值计算方法, 给出了应力与状态变量的更新算法, 推导了Jacobian矩阵的表达式; 接着, 以$[100]$取向的单晶铜材料为例, 通过有限元计算与试验结果的对比, 并采用粒子群优化算法标定了11个材料细观参数; 最后, 将所提细观损伤模型应用于RVE单轴拉伸过程的模拟, 得到了考虑损伤影响的应力应变曲线, 并分析了材料的塑性流动与损伤演化过程. 结果表明, 本文所提模型能够计算材料在受载过程中的损伤累积效应, 合理反映晶体材料的细观损伤机理.      

晶体塑性变形离散滑移模型及有限元分析

基于韧性单晶体实验现象，建立了描述晶体塑性变形的离散滑移模型．该模型的主要特点是：晶体滑移变形在宏观上是不均匀的，滑移带的分布是离散的．利用晶体塑性理论对模型进行了有限变形有限元分析，计算结果揭示了晶体滑移的离散行为，模拟的应力 应变曲线与实验曲线相吻合     

考虑运动硬化的DD3镍基合金力学行为研究

详细介绍了镍基合金的晶体塑性本构模型,在Asaro大变形晶体塑性框架下,详细介绍了镍基合金的晶体塑性本构模型,在Asaro大变形晶体塑性框架下,引入了运动硬化规律,考虑了温度和应变率对晶体塑性变形的影响,通过针对每个滑移系考虑屈服准则和流动规律建立了晶体塑性模型. 对积分过程进行了推导,通过编写ABAQUS材料用户子程序(UMAT), 实现本构模型的有限元积分算法. 在此基础上模拟了DD3镍基单晶合金在单轴拉伸和循环载荷下的响应,并与实验数据进行了对比. 利用该模型可以很好地模拟镍基单晶所具有的各向异性特性,体现了镍基单晶在循环载荷作用下的拉-压不对称性.      

An effective computational algorithm for rate-independent crystal plasticity based on a single crystal yield surface with an application to tube hydroforming

Up to now, several computational methods have been proposed for crystal plasticity models. The main objective of these computational methods has been to overcome the problem with the non-uniqueness of active slip systems during the plastic deformation of a single crystal. Crystal plasticity models based on a single crystal yield function have been proposed as alternative algorithms to overcome this problem. But the problem with these models is that they use a highly non-linear yield function for the crystal, which makes them computationally expensive. In this paper, a computational method is proposed that would modify a single crystal yield function in order to make it computationally efficient. Also to better capture experimental data, a new parameter is introduced into the single crystal yield function to make it more flexible. For verification, this crystal plasticity model was directly applied for the simulation of hydroforming of an extruded aluminum tube under complex strain paths. It was found that the current model is considerably faster than the previous crystal plasticity model based on a power-law type single crystal yield surface. Due to its computational efficiency, the current crystal plasticity model can also be used to calculate the anisotropy coefficients of phenomenological yield functions.     

Effect of secondary orientation on notch-tip plasticity in superalloy single crystals

Numerical and experimental evolutions of slip fields in notched Ni-Base Single Crystal superalloy tensile specimens are presented as a function of secondary crystallographic orientation. The numerical predictions based on three-dimensional anisotropic elasticity and crystal plasticity are compared with experimental observations. The results illustrate the strong dependence of the slip patterns and the plastic zone size and shape on the secondary orientation of notches, which can have important consequences on crack initiation. Specific orientations or non-symmetric notch geometries lead to non-symmetric patterns on both sides of the sample. The computations show that strongly different plastic zones are expected in the core of the sample and at free surfaces. The ability of the anisotropic elastic model to anticipate the plastic domains, based on identifying dominant slip systems, is confirmed by the crystal plasticity computations, at low load levels. An important observation is that kink shear banding is a real deformation mode operating at crack tips and notches in high strength nickel-based single crystal superalloys for specific orientations.     

含能单晶微纳米力学性能试验研究及数值表征

利用微纳米压痕实验测定β-HMX 单晶(010) 晶面和α-RDX 单晶(210) 晶面的力学性能参数和微观破坏特征,并利用数值拟合确定了含能单晶的部分本构参数. 通过微纳米压痕实验连续刚度法(CSM) 得到HMX 单晶和RDX 单晶的弹性模量和硬度,RDX 单晶的硬度和模量都大于HMX 单晶,其硬度值均表现出一定的尺寸效应. 利用原子力显微镜(AFM) 分析了HMX 单晶和RDX 单晶的微观破坏机理,裂纹随着载荷的增大生成并扩展,裂纹面产生方向为晶体的最易解理破坏方向. 利用ABAQUS 有限元软件进行了纳米压痕数值模拟,结合微纳米压痕实验加卸载曲线,选取了合适的含能单晶塑性损伤本构模型的损伤本构参数.      

增材制造316钢高周疲劳性能的微观力学研究

由于增材制造逐层累积的工艺特点, 其成形材料力学性能往往不同于传统减材制造材料. 在航空航天、核工业以及医疗领域中, 对增材制造材料疲劳性能的研究不足导致其很难作为主承力件使用, 这制约着增材制造技术的进一步推广使用. 本文以增材制造316钢为对象, 通过仿真手段研究其高周疲劳性能, 研究表明循环载荷下滑移带与晶界处的裂纹萌生是增材制造316钢材料发生高周疲劳的主要原因. 根据提出的微观力学模型研究了增材制造316钢的高周疲劳性能, 其中分别使用唯象学晶体塑性理论和弹塑性内聚力模型模拟晶粒和晶界的力学行为. 为了准确评估增材制造316钢的高周疲劳性能, 本文针对于晶粒和晶界分别采用Papadopoulos疲劳准则和一种基于安定性理论的介观疲劳准则同时考虑位错滑移和晶界对疲劳性能的影响. 最后, 为了验证所提微观力学模型的有效性, 本文对比了增材制造316钢和轧制316钢高周疲劳性能的仿真结果. 与实验结果相同, 仿真结果显示增材制造316钢相较于轧制316钢具有更好的高周疲劳性能.      

Dwell fatigue crack nucleation model based on crystal plasticity finite element simulations of polycrystalline titanium alloys

In this paper a crystal plasticity-based crack nucleation model is developed for polycrystalline microstructures undergoing cyclic dwell loading. The fatigue crack nucleation model is developed for dual-phase titanium alloys admitting room temperature creep phenomenon. It is a non-local model that accounts for the cumulative effect of slip on multiple slip systems, and involves evolving mixed-mode stresses in the grain along with dislocation pileups in contiguous grains. Rate dependent, highly anisotropic behavior causes significant localized stress concentration that increases with loading cycles. The crystal plasticity finite element (CPFE) model uses rate and size-dependent anisotropic elasto-crystal plasticity constitutive model to account for these effects. Stress rise in the hard grain is a consequence of time-dependent load shedding in adjacent soft grains, and is the main cause of crack nucleation in the polycrystalline titanium microstructure. CPFE simulation results are post-processed to provide inputs to the crack nucleation model. The nucleation model is calibrated and satisfactorily validated using data available from acoustic microscopy experiments for monitoring crack evolution in dwell fatigue experiments.     

ROCK INITIATION AND PROPAGATION SIMULATION UNDER COMPRESSION-SHEAR LOADING USING CONTINUOUS-DISCONTINUOUS CELLULAR AUTOMATON METHOD

A continuous-discontinuous cellular automaton method is developed for rock initiation and propagation simulations, in which the level set method, discontinuous enrichment shape functions and discontinuous cellular automaton are combined. No remeshing is needed for crack growth analysis, and all calculations are restricted to cells without an assembled global stiffness matrix. The frictional contact theory is employed to construct the contact model of normal pressure and tangential shear on crack surfaces. A discontinuous cellular automaton updating rule suitable for frictional contact of rock is proposed simultaneously with Newton's iteration method for nonlinear iteration. Besides, a comprehensive fracturing criterion for brittle rock under compression-shear loading is developed. The accuracy and effectivenesss of the proposed method is proved by numerical simulation.     

基于反向传播神经网络的疲劳裂纹扩展分析

材料发生疲劳断裂时往往会引起重大安全事故,而基于传统数值模拟方法求解疲劳裂纹扩展问题时模 型复杂、计算量大．本文基于包含多隐层的反向传播神经网络分析金属材料疲劳裂纹扩展行为,计算了裂纹扩 展过程中的 von Mises应力场和位移场,并与数值解和实验解进行对比,误差分析结果表明其求解精度高．并 基于该神经网络有效预测了裂纹扩展中裂纹长度及裂纹扩展速率的变化过程,预测精度高．该神经网络分析方 法可为材料剩余寿命和疲劳强度预测提供研究基础．     

Damage accumulation and fracture initiation in uncracked ductile solids subject to triaxial loading

A damage plasticity model for ductile fracture is proposed. This model is established on the cylindrical coordinate system of principal stress space. Experimental results show that fracture initiation in uncracked ductile solids is sensitive to the hydrostatic pressure and dependent on the Lode angle. The joint effects of pressure and Lode angle define a fracture envelope in principal stress space. Plastic deformation induced damage is calculated by an integral of the damage rate measured at current loading and deformation status with respect to the fracture envelope. A power law damage rule is proposed to characterize the nonlinearity in damage accumulation. A damage-related weakening factor is adopted to describe the material deterioration. The material parameters are calibrated from standard laboratory tests. The proposed model is numerically implemented. Four simulations with emphasis on crack path prediction are presented.     

Fracture of bicrystal metal/ceramic interfaces: A study via the mechanism-based strain gradient crystal plasticity theory

Two continuum mechanical models of crystal plasticity theory namely, conventional crystal plasticity theory and mechanism-based crystal plasticity theory, are used to perform a comparative study of stresses that are reached at and ahead of the crack tip of a bicrystal niobium/alumina specimen. Finite element analyses are done for a stationary crack tip and growing cracks using a cohesive modelling approach. Using mechanism-based strain gradient crystal plasticity theory the stresses reached ahead of the crack tip are found to be two times larger than the stresses obtained from conventional crystal plasticity theory. Results also show that strain gradient effects strongly depend on the intrinsic material length to the size of plastic zone ratio (l/R₀). It is found that the larger the (l/R₀) ratio, the higher the stresses reached using mechanism-based strain gradient crystal plasticity theory. An insight into the role of cohesive strength and work of adhesion in macroscopic fracture is also presented which can be used by experimentalists to design better bimaterials by varying cohesive strength and work of adhesion.     

纯铜后继屈服面的测试与晶体塑性模型模拟

通过纯铜薄壁圆管试样的实测和晶体塑性模拟,用单试样法和多试样法对分别经历拉伸、扭转和组合拉扭变形的试样后继屈服面进行研究.考虑预变形方式、测点数目、测试顺序和指定平移应变等不同条件,对后继屈服面测定结果差异及屈服面内凹现象进行探讨.在此基础上,比较了单试样和多试样两种方法的合理性与有效性.数值模拟采用能反映Bauschinger效应的晶体塑性模型,试样有限元模型每个单元的晶体取向均随机生成,能反映多晶材料变形特征.模拟试验加载过程与真实试验一致.研究表明:(1)采用本文方法可再现真实试验过程,模拟后继屈服面测试展示的现象与实测相近,证实了方法的有效性和合理性;(2)模拟测试与实测均发现,薄壁圆管组合拉扭加载测得的后继屈服面可能出现内凹,单试样法测得屈服面的内凹现象尤为显著;(3)若试验材料的材质比较一致,用多试样法测试后继屈服比用单试样法更合理.