Deformation characteristics and stress–strain response of nanotwinned copper via molecular dynamics simulation

In this research parallel molecular dynamics (MD) simulations have been performed to study the deformation behavior of nanocrystalline copper samples with embedded nanotwins under approximately uniaxial tensile load. Simulation results reveal that twin boundaries (TBs) act as obstacles to dislocation movements that lead to the strengthening of nanotwinned structures. However, easy glide of dislocations parallel to the TBs contribute primarily to the plastic strain or ductility of these materials. At higher deformation stages, the strengthening effects reach a maximum when abundant dislocations begin crossing the TBs. Due to this highly anisotropic plastic response of the grains, a random polycrystalline sample will show combined properties of ductility and strength. The strengths of the nanotwinned models are found to exhibit an inverse relationship with the twin width and temperature. We also investigate the relation between the deformation behavior in different grains, their orientation with respect to the loading direction, and ultimately the observed response of nanotwinned structures.     

Comparing EAM Potentials to Model Slip Transfer of Sequential Mixed Character Dislocations Across Two Symmetric Tilt Grain Boundaries in Ni

Slip transfer via sequential pile-up dislocations across grain boundaries (GBs) plays an important role in plastic deformation in polycrystalline face-centered cubic (FCC) metals. In this work, large scale concurrent atomistic-continuum (CAC) method simulations are performed to address the slip transfer of mixed character dislocations across GBs in FCC Ni. Two symmetric tilt GBs, a Σ3{111} coherent twin boundary (CTB) and a Σ11{113} symmetric tilt GB (STGB), are investigated using five different fits to the embedded-atom method (EAM) interatomic potential to assess the variability of predicted dislocation-interface reaction. It is shown that for the Σ3 CTB, two of these potentials predict dislocation transmission while the other three predict dislocation absorption. In contrast, all five fits to the EAM potential predict that dislocations are absorbed by the Σ11 STGB. Simulation results are examined in terms of several slip transfer criteria in the literature, highlighting the complexity of dislocation/GB interactions and the significance of multiscale modeling of the slip transfer process.     

Crystal plasticity finite element simulation of NiTi shape memory alloy based on representative volume element

Crystal plasticity finite element method based on a representative volume element model, which includes the effect of grain shape and size, is combined with electron backscattered diffraction experiment in order to investigate plastic deformation of NiTi shape memory alloy during uniaxial compression at 400 °C. Simulation results indicate that the constructed representation of the polycrystal microstructure is able to effectively simulate macroscopically global stress-strain response and microscopically inhomogeneous microstructure evolution in the case of various loading directions. According to slip activity and Schmid factor in {110}<100>, {010}<100> and {110}<111> slip modes, <100> slip modes are found to play a dominant role in plastic deformation, while <111> slip mode is found to be a secondary slip mode. In addition, the simulation results are supported well by the experimental ones. With the progression of plastic deformation, the (001) [\(0\bar 10\)] texture component gradually disappears, while the γ-fiber (<111>) texture is increasingly enhanced.     

应力状态对纯钛织构演化机制影响研究

采用拉伸、压缩的试验方法,结合Schmid因子计算和晶体塑性模拟计算研究了TA2纯钛在不同应力（拉应力、压应力）状态下织构的演化机制。结果表明：在拉伸变形过程中,较大的应变量也难以使织构发生显著变化,相对而言,压缩变形过程中织构变化较为显著。在不同应变路径下,变形初期启动的变形方式有一定的差异。在不同应变量下,随着变形程度的增加,发生基面滑移或锥面滑移或■拉伸孪生的晶粒数变多是导致形成不同织构的主要原因。     

超低温等通道转角挤压高导电单晶铜的霍尔佩奇强化

分别采用光学显微镜、扫描电镜、X射线衍射仪和电子背散射衍射分析超低温等通道转角挤压(ECAP)中等应变量单晶铜的形变组织和织构演变，测试材料的力学和导电性能，分析材料组织转变机理及其对材料力学和导电性能的影响。结果表明，超低温ECAP早期形成的定向剪切带在后续变形过程中会严重影响材料组织的转变过程。增加应变量，A路径变形中剪切带内部会形成高密度的位错塞积，特征晶界占比增加；B_C路径变形时剪切带内部的位错发生强烈的交互作用；C路径变形后剪切带的取向发生分散。经过6道次变形后，单晶铜组织中形成强烈的{111}<112>织构，材料强度从初始126.0 MPa增加到400.2 MPa，而导电率仍保持在98%IACS以上。低温ECAP变形后组织内部形成定向剪切带并产生高密度的位错，位错间相互缠结，有效阻碍了位错滑移，而晶粒仍保持良好的单晶特性。     

预变形对Al-Zn-Mg铝合金组织及力学性能的影响

系统研究了预变形温度对Al-Zn-Mg铝合金微观组织结构及力学性能的影响。运用光学显微镜和透射电镜观察了微观组织,扫描电镜表征了拉伸断口形貌,X射线衍射仪测试了宏观织构构成,万能拉伸试验机测试了力学性能。结果表明,在400 ℃的热轧温度下,力学性能指标最佳,屈服强度和抗拉强度分别达到325 MPa和455 MPa,伸长率达到14%。不同热轧温度下的拉伸试样断口均呈现为韧性断裂,断口处均存在数量和尺寸不一的韧窝。400 ℃热轧变形温度下,晶粒内部的位错缠结消失,形成了晶界附近规则排列的位错墙;450 ℃时,晶内的位错消失,主要为再结晶晶粒。在350 ℃和400 ℃热轧变形温度下,织构中存在明显的剪切织构,包括旋转立方织构{001}<110>和黄铜R织构{111}<112>和{111}<110>。450 ℃热轧变形温度下,出现明显的再结晶织构Cube_ND {001}<310>。     

Mechanisms of plastic deformation in microcrystalline and nanocrystalline TiNi-based alloys

Mechanisms of plastic deformation of a high-temperature B2 phase that act upon tension, compression, and high-pressure torsion in TiNi-based single crystals have been studied depending on the crystal orientation. For the crystals with orientations located near the [$ \bar 1 $ \bar 1 11] and [$ \bar 1 $ \bar 1 12] poles in the standard stereographic triangle, multiple dislocation slip prevails upon both compression and tension. In “hard” crystals with the deformation axis close to the [001] direction, in which the Schmid factors for dislocation slip are close to zero, the main deformation mechanisms are the mechanical twinning in the B2 phase and the stress-assisted B2 → B19′ martensitic transformation. All the above listed mechanisms take part in the formation of the {111}〈hkl〉 texture. The mechanism of the change in the orientation of “hard” polycrystalline grains upon the formation of a nanocrystalline and amorphous-crystalline state has been demonstrated on the example of the evolution of the structure of [001] crystals upon severe plastic deformation in a Bridgman cell.     

Microstructural Evolution and Biodegradation Response of Mg-2Zn-0.SNd Alloy During Tensile and Compressive Deformation

The effect of deformation behavior on the in vitro corrosion rate of Mg-2Zn-0.5Nd alloy was investigated experimentally after uniaxial tensile and compressive stress.The microstructure and texture were characterized using electron backscattered diffraction and X-ray diffraction,while potentiodynamic polarization and immersion tests were used to investigate the cor-rosion response after deformation.The result reveals that applied compressive stress has more dominant effect on the corro-sion rate of Mg-2Zn-0.5Nd alloy as compared to tensile stress.Both tensile and compressive strains introduce dislocation slip and deformation twins in the alloy,thereby accelerating the corrosion rate due to the increased stress corrosion related to dislocation slips and deformation twins.The { 10(1)2} tension twinning and prismatic slip were the major contributors to tensile deformation while basal slip,and { 10(1)2} tension twin were obtainable during compressive deformation.The twinning activity after deformation increases with the plastic strain and this correlates with the degradation rate.     

Size effects on tensile properties and deformation mechanism of commercial pure tantalum foils

The tensile properties and deformation microstructure of commercial high pure tantalum foils with thickness ranging from 30 μm to 200 μm have been investigated. The origin foils show a large texture intensity of γ fiber. The yield strength and ultimate tensile strength gradually increase with the decrease of thickness due to the change of the scale factor of the surface grains and the increase of volume fraction of passivation film. The constitutive model based on the surface layer theory is well established. Meanwhile, the anomalous yield point phenomenon can be seen. The deformation microstructure is closely related with the orientations. Two sets of microbands are developed in most of the grains. The density of microbands is the largest in the grains with tensile direction // 〈110〉, which belong to α fiber. Microbands are usually concentrated near the grain boundaries, which frequently incline at 25–45° with respect to the tensile direction. The trace of microbands is usually consistent with the slip planes of {110} or {112} with largest or second largest Schmid factor. Therefore, the appearance of wavy slip traces on the fracture is attributed to the dislocation cross-slip on these different kinds of slip planes.     

拉伸取向控制对AZ31镁合金孪生和织构演化的影响

以室温单轴拉伸实验与晶体塑性有限元相结合的方法,通过拉伸取向控制,研究了AZ31镁合金拉伸变形过程中孪生行为、织构演化规律、塑性各向异性之间的关系。基于率相关晶体塑性本构理论,建立了滑移和孪生机制耦合的具有不同取向的晶体塑性本构模型,引入孪晶体积分数研究孪生对AZ31镁合金塑性变形过程中织构演变和力学性能的影响。结果表明,2种不同取向的样品在塑性变形过程中呈现出明显不同的织构演变规律,表现出明显的各向异性。轴向拉伸时孪生被抑制,孪晶激活体积分数低,径向拉伸时孪晶极易产生,孪晶激活体积分数高。轴向试样在整个塑性变形过程中{0001}极图偏移较小,径向试样因大量拉伸孪晶的开启,使得{0001}棱柱面织构的极密度逐渐向RD的正反方向发生明显偏移。     

双相不锈钢中裂纹尖端塑性变形行为的透射电镜原位观察

在透射电子显微镜下对铁素体-奥氏体双相不锈钢薄膜试样进行了动态拉伸试验,原位观察了裂纹尖端塑性变形过程和位错分布,发现在铁素体相和奥氏体相中,裂尖位错组态有明显差异。在铁素体相中,裂尖无位错区较大,且让错易发生交滑移,在裂纹前端形成较大的塑性区。在奥氏体相中,裂尖无位错区较小,发射的位错在其滑移面内逆塞积。两相中裂尖滑移系的选择都与裂尖Schmid因子有关。但当形变较大时,奥氏体相中裂尖二次滑移系的选择不再为裂尖Schmid因子所支配。     

Multiscale modeling of plastic deformation of molybdenum and tungsten: I. Atomistic studies of the core structure and glide of 1/2〈1 1 1〉 screw dislocations at 0 K

Owing to their non-planar cores, 1/2〈1 1 1〉 screw dislocations govern the plastic deformation of body-centered cubic (bcc) metals. Atomistic studies of the glide of these dislocations at 0 K have been performed using Bond Order Potentials for molybdenum and tungsten that account for the mixed metallic and covalent bonding in transition metals. When applying pure shear stress in the slip direction significant twinning–antitwinning asymmetry is displayed for molybdenum but not for tungsten. However, for tensile/compressive loading the Schmid law breaks down in both metals, principally due to the effect of shear stresses perpendicular to the slip direction that alter the dislocation core. Recognition of this phenomenon forms a basis for the development of physically based yield criteria that capture the breakdown of the Schmid law in bcc metals. Moreover, dislocation glide may be preferred on {1 1 0} planes other than the most highly stressed one, which is reminiscent of the anomalous slip observed in many bcc metals.     

等通道球形转角挤压过程中工业纯铝的微观组织演变与力学性能

突破传统ECAP变形全过程通道等截面思路,提出一种耦合剪切应变和正应变于一体的新型等通道球形转角挤压(equal channel angular extrusion with spherical cavity,ECAE-SC)工艺。在自行研制的模具上对工业纯铝进行室温单道次ECAE-SC挤压实验,采用OM、EBSD和TEM等技术手段,研究了ECAE-SC变形过程中工业纯铝微观组织的演变规律,并测试了变形后试样的显微硬度。结果表明,在ECAE-SC工艺剧烈简单剪切变形诱导下,工业纯铝仅需1道次挤压变形即可获得等轴、细小、均匀的超细晶组织,平均晶粒尺寸约为400 nm;工业纯铝室温ECAE-SC变形以位错滑移为主并伴有不完全连续动态再结晶,其微观组织经历了剪切带→位错胞→小角度亚晶→大角度等轴晶粒等动态演化过程。1道次ECAE-SC变形后,工业纯铝组织以{110}001高斯织构为主,同时存在部分{111}112铜型织构;材料显微硬度值大幅提升,由初始289.4 MPa提高到565.3 MPa,增幅高达95.33%,且分布均匀性良好。     

Plastic deformation mechanism in nanotwinned metals: An insight from molecular dynamics and mechanistic modeling

An overview is given of the deformation mechanisms in nanotwinned copper, as studied by recent molecular dynamics, dislocation mechanics and crystal plasticity modeling. We highlight the unique role of nanoscale twin lamellae in producing the hard and soft modes of dislocation glide, as well as how the coherent twin boundaries affect slip transfer, dislocation nucleation, twinning and detwinning. These twin boundary-mediated deformation mechanisms have been mechanistically linked to the mechanical properties of strength, ductility, strain hardening, activation volume, rate sensitivity, size-dependent strengthening and softening in nanotwinned metals. Finally, discussions are dedicated to identifying important unresolved issues for future research.     

Study on Deformation Structure and Texture of Pure Zirconium with Large Grain Size Rolled at Liquid Nitrogen Temperature

主要研究大晶粒退火态纯锆在液氮温度下均匀轧制时的形变组织特征及孪生机制。利用光学显微镜、扫描电镜、电子背散射衍衬（EBSD）、X射线衍射等对不同变形量样品的变形组织和织构进行了研究,重点结合软件对EBSD结果进行组织重构和机理分析。结果表明,液氮温度轧制时大晶粒纯锆中产生的孪晶类型为C1{112}<11>、T1{102}<10>和T2{111}<11>孪晶,其中C1{112}<11>孪晶最容易产生且为主要孪生类型。变形开始时,3种孪晶的数量迅速增多,而小角度晶界含量较少;变形量增大到30%时,小角度晶界含量占优势。变形初始阶段孪生优先于滑移进行, 且孪生变形是最主要的变形方式,当变形量为30%时,孪晶协调的位错滑移成为主要的变形方式。变形过程中织构类型未发生变化,保持基面双峰织构（偏离ND方向±30°左右）,但强度随着变形量的增大呈减小趋势     

Exploring Plastic Deformation Mechanism of Multilayered Cu/Ti Composites by Using Molecular Dynamics ModelingEI北大核心CSCD

Multilayered metallic composites have attracted great interest because of their excellent characteristics. In recent years, the mechanical behavior of Cu/Ti composites is described in terms of macroscopic or mesoscopic scales, but the micromechanism regarding dislocation slip, twinning and shear banding at heterogeneous interfaces remains unclear. In this work, the molecular dynamics method is used to study the uniaxial tensile and plane strain compression deformation of the Cu/Ti multilayered composites with characteristic initial crystal orientations. The simulation results show that under the tensile load, dislocations are preferentially nucleated at the heterogeneous interface between Cu and Ti, and then slip along {111} plane within the Cu layers. The corresponding mechanism is confined layer slip. With the multiplication of dislocations, dislocations interact with each other, and intrinsic stacking faults and deformation twins are formed in Cu layers. However, no dislocation slip or twinning is activated within the Ti layers at this stage of deformation. As the load increases, the stress concentration at the Cu/Ti interface leads to the fracture of the composites. For the composites under plane strain compression, the stress concentration at the Cu/Ti interface triggers the formation of shear bands in the Ti layer, and there are only very limited dislocations within the shear bands and their adjacent area. With the increase of applied strain, the common action of various deformation mechanisms causes the grains to rotate, and the disorder degree of complex atoms increases. In addition, the micro-plastic deformation mechanism and mechanical properties of Cu/Ti complex with different initial orientations and strain rates are significantly different. The results reveal the microscopic deformation mechanism of the laminated composites containing hcp metals.     

Effect of deformation texture on the anisotropy of elasticity and damage of two-phase steel sheets

The effect of small tensile deformation (3, 6, and 10%) on the texture of preliminary annealed sheets of two-phase DP600 steel (0.10 C, 0.15 Si, 1.4 Mn, 0.007 P, 0.008 S, 0,009 N, 0.02–0,06 Al, 1 Cr–Mo–Ni (wt %)) is studied. Against the background of the annealing texture in the sheets, the {001} <110>, {111} <110>, {111} <112>, {111} <312> components of the slip texture and {115} <110>, {115} <552>, {221} <110>, {221} <114> orientations are developed, which can be associated with the twinning processes. The anisotropy pattern of the Young’s modulus (E) in the sheet plane remains the same after tensile deformation of the annealed sheets. After tension, the values of E decrease in all directions as a result of the onset and development of microdamages. The anisotropy of damage (D) in the plane of the steel sheets after tension is characterized by a maximum in the transverse direction (TD) and a minimum in the rolling direction (RD).     

Texture Evolution Behavior and Its Triggered Mechanical Anisotropy of CP Ti During Severe Cold Rolling and Subsequent Annealing

The texture evolution behavior and its triggered mechanical anisotropy of commercially pure titanium(CP Ti) during severe cold rolling and subsequent annealing are discussed based on the optical microscopy and the electron backscattered diffraction analyses. Some enlightening results are found. It is shown that planar textures exist under all treatments, namely the {11–29}10–10 under rolling state, the {11–27}10–10 under 300 °C annealing state and the {11–24}10–10 under 500 °C annealing state. This indicates that the crystal plane indices of planar texture change toward {-12–10} with increasing annealing temperature, which is a result of crystal lattice rotation. Planar texture triggers anisotropy of the mechanical properties for CP Ti sheets under all treatments. In particular, CP Ti sheets exhibit severe and similar anisotropy behavior under rolling and 300 °C annealing states. Generally speaking, the rolling direction(RD) specimens get relatively low yield strength, high ultimate tensile strength and good plasticity, and RD + 45° specimens show relatively high yield strength, low ultimate tensile strength and good plasticity. The transverse direction specimens, however, usually exhibit high yield strength and low plasticity. It is proved that the above anisotropy behavior is mainly determined by the Schmid factor distribution of the(10–10)[11–20] prismatic slip system in different directions. Due to the non-negligible influence exerted by the(0001)[11–20] basal slip system after 500 °C annealing, the anisotropy behavior under this state is obviously different.     

初始织构对差厚板非均匀塑性变形的影响

CR340轧制差厚板（TRB）在轧制过程中,其不同的厚度区形成了不同的织构,分别是薄区的{111}<01>和{141}<22>织构,过渡区的{225}<10>和{211}<01>织构,厚区的{876}<5>和{411}<01>织构。根据EBSD测试结果,建立了各厚度区的多晶体塑性有限元模型,研究了单向拉伸时各厚度区的晶粒织构对滑移系开动情况和应力应变分布的影响规律。结果表明,薄区的{111}<01>织构和厚区的{876}<5>织构有利于滑移系的开动,开动的数量分别为9和8组,这使得等厚区在变形中的应力集中弱化,具有良好的塑性变形行为。而过渡区的{225}<10>、{211}<01>织构的晶粒滑移系开动较少,开动的数量分别为6和7组,导致应力集中,其塑性变形行为较差。差厚板各厚度区织构的差异导致其塑性变形呈现明显的不均匀性,其断裂位置发生在单轴拉伸时塑性变形较差的过渡区。     

Twin boundary: Stronger or weaker interface to resist fatigue cracking?

The fatigue cracking mechanisms at twin boundaries (TBs) are investigated by considering the stacking fault energy, dislocation slip mode and the difference in the Schmid factors (DSF) between matrix and twin. In Cu and its alloys, the occurrence of TB cracking becomes much more frequent with either increasing the alloying component or the DSF. Considering the interactions between dislocations and TBs, a semiquantitative relationship based on the statistical experimental results is established to describe the TB cracking mechanism.