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Gradient Plastic Zone Model in Equiatomic Face-Centered Cubic Alloys 等原子面心立方合金的梯度塑性区模型
Pub Date : 2022-11-14 DOI: 10.2139/ssrn.3922863
Q. Zhang, X. Jin, H. J. Yang, X. H. Shi, J. Qiao
For the application of nanoindentation on the nanoscale, the dislocation behavior affected by solid solution strengthening can be described microscopically, which contributes to comprehend the peculiarity of high-entropy alloys (HEAs). This study is to provide deeper insights into the dislocation motion within the plastic zone and reveal the material dependence of the plastic zone variation in multi-principal alloys through designed nanoindentation linear tests performed on face-centered cubic Ni, CoNi, CoCrNi, and FeCoCrNi metals and alloys. Indentation tests at various depths further confirmed that the scale factor, f , which was proposed to modify the Nix-Gao model, is governed by the material category. From this, a connection is established between f and pertinent parameters of dislocation activation process and distribution characteristics. As for the dislocation activation, the activation volume and theoretical strength are considered, and then the lattice distortion and strain gradient determine the dislocation distribution feature. Regarding the critical strengthening of adjacent indentations, a critical scale factor f eff of the strengthening boundary is defined, which is proportional to the indentation depth, and a large f eff is preferred for high-strength multi-principal HEAs and /or medium-entropy alloys (MEAs). Combining the f and the f eff of the four metals and alloys, a model describing the evolution of the indentation plastic zone is established, in which the plastic zone include three parts. For the inconsonant trends of f and f eff , a dislocation saturation zone is suggested to existing in the plastic zone. The Gradient plastic zone model proposed here graphically depicts the dislocations motion, as well as its reinforcement effect. Futhermore, this model lends credence to modify the framework which describes the mechanical response of materials under nanoindentation.
对于纳米压痕在纳米尺度上的应用,可以从微观上描述固溶强化对位错行为的影响,有助于理解高熵合金的特性。本研究旨在通过对面心立方Ni、CoNi、CoCrNi和feccrni金属和合金进行纳米压痕线性测试,深入了解塑性区内的位错运动,揭示多主合金中塑性区变化的材料依赖性。不同深度的压痕试验进一步证实了修正Nix-Gao模型的比例因子f受材料类别的支配。由此建立了f与位错活化过程及分布特征的相关参数之间的联系。对于位错激活,首先考虑激活体积和理论强度,然后由晶格畸变和应变梯度决定位错的分布特征。对于相邻压痕的临界强化,定义了强化边界的临界尺度因子f,该因子与压痕深度成正比,对于高强度多主HEAs和/或中熵合金(MEAs)来说,较大的f是优选的。结合四种金属和合金的f和f,建立了压痕塑性区演化的模型,其中塑性区包括三个部分。由于f和f的不一致趋势,在塑性区存在位错饱和区。本文提出的梯度塑性区模型能直观地描述位错运动及其强化效果。此外,该模型为描述材料在纳米压痕下的力学响应的框架的修改提供了依据。
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引用次数: 0
Modelling of Additive Manufacturability of Nickel-Based Superalloys for Laser Powder Bed Fusion 激光粉末床熔合镍基高温合金增材制造性建模
Pub Date : 2022-08-01 DOI: 10.2139/ssrn.3910606
Jinghao Xu, P. Kontis, R. Peng, J. Moverare
The additive manufacturability of nickel-based superalloys for laser powder bed fusion (LPBF) technologies is studied by considering the in-process cracking mechanisms. The additive manufacturability of nickel-based superalloys largely depends on the resistance to the liquid and solid-state cracking. Herein, we propose a two-parameter-based, heat resistance and deformation resistance (HR-DR) model, accounting for the relation between chemical composition (both major and minor elements) and cracking susceptibility, which is generalized from the elemental microsegregation behavior and mechanisms of LPBF process induced cracking. The proposed model is validated by the LPBF experiments in this study and by the hitherto reported data in LPBF superalloys community. The HR-DR-model is found to be a theoretically acceptable and easy-to-use approach for the prediction of in-process cracking of nickel-based superalloys during LPBF. The influence of alloying elements and the γ′ precipitates on the additive manufacturability is discussed. The model provides a path for designing not only new solid solutioning, but also and more importantly γ′ strengthened nickel-based superalloys for LPBF applications.
研究了镍基高温合金在激光粉末床熔合(LPBF)工艺中的可增材制造性。镍基高温合金的增材制造性能在很大程度上取决于其抗液态和固态开裂的能力。本文从LPBF工艺诱发裂纹的元素微偏析行为和机理出发,提出了一种考虑化学成分(主要元素和次要元素)与裂纹敏感性之间关系的基于双参数的耐热和变形抗力(HR-DR)模型。该模型通过本研究的LPBF实验和LPBF高温合金界迄今报道的数据进行了验证。hr - dr -模型是一种理论上可接受且易于使用的预测镍基高温合金LPBF过程中裂纹的方法。讨论了合金元素和γ′析出物对增材可加工性的影响。该模型不仅为设计新的固溶体,更重要的是为设计用于LPBF的γ′强化镍基高温合金提供了途径。
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引用次数: 19
Revealing the Mode and Strain of Reversible Twinning in B19' Martensite by in situ Synchrotron X-Ray Diffraction 用原位同步x射线衍射揭示B19′马氏体可逆孪晶的模式和应变
Pub Date : 2022-06-01 DOI: 10.2139/ssrn.3927817
Yuxuan Chen, A. Li, Xiangguang Kong, Zhiyuan Ma, Genfa Kang, D. Jiang, Kun Zhao, Y. Ren, L. Cui, Kaiyuan Yu
The challenges in the identification of reversible twinning modes and in the measurement of reversible twinning strain impede the thorough understanding of twinning induced elasticity (TIE). In this report, we exploited the mode and strain of reversible twinning in B19' martensite in a Nb-nanowire/NiTiFe-matrix alloy. TIE strain up to 5.1% was achieved by pre-deforming the alloy up to an applied strain of 55.7%. In situ synchrotron X-ray diffraction (XRD) results show that B19' ( ) and ( ) twins were induced by pre-deformation. More importantly, a large portion of these twins were found reversible for the first time. It is suggested that the reversibility is likely due to the pinning effects of high density dislocations and nanosized martensite variants or twins. Furthermore, the reversible twinning strain was measured using XRD based on a 'lattice strain matching' concept such that the contribution of reversible twinning to TIE was clarified. The measured twinning strain was compared with the calculated strain based on twinning crystallography.
在可逆孪晶模式识别和可逆孪晶应变测量方面的挑战阻碍了对孪晶诱导弹性(TIE)的深入理解。本文研究了铌纳米线/ nitife基合金中B19′马氏体可逆孪晶的模式和应变。通过将合金预变形至55.7%的应变,TIE应变可达到5.1%。原位同步x射线衍射(XRD)结果表明,B19′()和()孪晶是由预变形引起的。更重要的是,这些双胞胎中有很大一部分是第一次被发现是可逆的。结果表明,这种可逆性可能是由于高密度位错和纳米马氏体变异体或孪晶的钉钉作用所致。此外,基于“晶格应变匹配”的概念,利用XRD测量了可逆孪晶应变,从而澄清了可逆孪晶对TIE的贡献。将实测的孪晶应变与基于孪晶学的计算应变进行了比较。
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引用次数: 11
Efficient Generation of Anisotropic N-Field Microstructures From 2-Point Statistics Using Multi-Output Gaussian Random Fields 利用多输出高斯随机场从两点统计有效生成各向异性n场微结构
Pub Date : 2022-04-01 DOI: 10.2139/ssrn.3949516
A. E. Robertson, S. Kalidindi
The ability to efficiently generate microstructure instances corresponding to specified two-point statistics is a crucial capability in rigorously studying random heterogeneous materials within the Integrated Computational Materials Engineering and Materials Informatics frameworks. However, the lack of computationally efficient, statistically expressive models for achieving this transformation is a recurring roadblock in many foundational Materials Informatics challenges. In this article, we present a theoretical and computational framework for generating stationary, periodic microstructural instances corresponding to specified stationary, periodic two-point statistics by stochastically modeling the microstructure as an N-output Gaussian Random Field. First, we illustrate how two-point statistics can be used to parameterize anisotropic Gaussian Random Fields. Second, we derive analytic relationships between the two-point statistics and the spatially resolved sampled microstructures, within the approximation of a N-output Gaussian Random Field. Finally, we propose the algorithms necessary to efficiently sample these fields in O (S ln S) computational complexity and while incurring O (S) memory cost. We also discuss the current limitations of the proposed framework, and its usefulness to future Materials Informatics workflows.
在综合计算材料工程和材料信息学框架中,有效生成与指定两点统计相对应的微观结构实例的能力是严格研究随机异质材料的关键能力。然而,缺乏计算效率,统计表达模型来实现这种转变是许多基础材料信息学挑战中反复出现的障碍。在本文中,我们提出了一个理论和计算框架,通过将微观结构随机建模为n输出高斯随机场,生成与指定平稳周期两点统计相对应的平稳周期微观结构实例。首先,我们说明如何使用两点统计来参数化各向异性高斯随机场。其次,在n输出高斯随机场的近似范围内,我们推导了两点统计量与空间分辨采样微观结构之间的解析关系。最后,我们提出了在O (S)的计算复杂度和O (S)的内存成本下有效采样这些字段所需的算法。我们还讨论了目前提出的框架的局限性,以及它对未来材料信息学工作流程的有用性。
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引用次数: 18
Liquid Cell Transmission Electron Microscopy Reveals C-S-H Growth Mechanism During Portland Cement Hydration 液体细胞透射电子显微镜揭示硅酸盐水泥水化过程中C-S-H生长机制
Pub Date : 2022-03-01 DOI: 10.2139/ssrn.3940187
P. Dong, A. Allahverdi, C. Andrei, N. Bassim
We report the first application of in-situ liquid cell transmission electron microscopy (LC-TEM) to research hydration reactions of nano OPC, providing nanoscale insight into early reaction mechanisms. We demonstrate that the formation and growth of C-S-H precipitates starts through lateral growth of planar silicate sheets, but soon continues in all directions resulting in a 3D microstructure. Furthermore, nanocrystalline C-S-H structures with sizes between 5 nm to 10 nm were observed inside the amorphous or highly disordered C-S-H matrix, denoting that C-S-H growth is conformed to layered structure model. Crack formation and propagation inside C-S-H precipitates confirms the presence of increasing lattice strain due to growing defects that limits the growth of a fully crystalline structure by buckling and separating the sheets. The rolling up and crumbling of C-S-H sheets promotes the formation of new embryos, leading to the growth of precipitates in all direction and finally their coalescence.
我们报道了原位液体细胞透射电子显微镜(LC-TEM)在纳米OPC水化反应中的首次应用,为早期反应机制提供了纳米尺度的见解。我们证明了C-S-H沉淀的形成和生长是从平面硅酸盐片的横向生长开始的,但很快就会在各个方向上继续形成三维微观结构。此外,在非晶或高度无序的C-S-H基体内部,还观察到尺寸在5 ~ 10 nm之间的纳米晶C-S-H结构,表明C-S-H的生长符合层状结构模式。C-S-H析出物内部裂纹的形成和扩展证实了晶格应变增加的存在,这是由于不断增长的缺陷,通过屈曲和分离薄片限制了完全结晶结构的生长。C-S-H薄片的卷起和破碎促进新胚的形成,导致各方向析出物的生长并最终合并。
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引用次数: 3
The Effect of the Incorporation of Catalase Mimetic Activity Cations on the Structural, Thermal and Chemical Durability Properties of the 45S5 Bioglass® 模拟过氧化氢酶活性阳离子的掺入对45S5生物玻璃结构、热性能和化学耐久性的影响
Pub Date : 2022-02-01 DOI: 10.2139/ssrn.3920956
G. Malavasi, A. Pedone
Understanding the effect of the incorporation of doping ions into the structure, thermal properties and chemical durability of bioactive glasses is fundamental for the design of new compositions with tailored biological functions and applications.In this work, we have applied a combined experimental and computational approach to unravel the effect of adding metal oxides of Ce, Ti, V, Mn, Fe, Co, Cu and Zr that impart catalase mimetic activity to the 45S5 Bioglass on its density, thermal properties and chemical durability.UV-Vis-NIR spectroscopy and temperature programmed reduction (TPR) experiments allowed to determine the oxidation states of the doping cations in the bulk of the glasses, Differential Thermal Analysis have been used to determine the glass transition and crystallization temperatures whereas the chemical durability in water was determined by following the hydrolytic resistance of glass grains at 98°C standard method.The experimental results have been interpreted at the atomic level by exploiting reliable bulk and surface structural models of the investigated glass generated by using Molecular Dynamics Simulations.Some structure-property relationships helpful for the rational design of new glass compositions have been also inferred.
了解掺杂离子对生物活性玻璃的结构、热性能和化学耐久性的影响,是设计具有定制生物功能和应用的新组合物的基础。在这项工作中,我们采用了实验和计算相结合的方法来揭示添加Ce、Ti、V、Mn、Fe、Co、Cu和Zr等金属氧化物对45S5生物玻璃密度、热性能和化学耐久性的影响。紫外-可见-近红外光谱和温度程序还原(TPR)实验可以确定大部分玻璃中掺杂阳离子的氧化态,差热分析用于确定玻璃转变和结晶温度,而化学耐久性是通过遵循98°C标准方法下玻璃颗粒的抗水解性来确定的。利用分子动力学模拟生成的可靠的玻璃体积和表面结构模型,在原子水平上解释了实验结果。本文还推导出了一些有助于合理设计新型玻璃组合物的结构-性能关系。
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引用次数: 7
Slip Activity During Low-Stress Cold Creep Deformation in a Near-Α Titanium Alloy 近-Α钛合金低应力冷蠕变过程中的滑移活动
Pub Date : 2022-02-01 DOI: 10.2139/ssrn.3919747
Claudius Dichtl, D. Lunt, M. Atkinson, R. Thomas, Adam Plowman, Bartosz Barzdajn, R. Sandala, J. Q. da Fonseca, M. Preuss
Near-α titanium alloys are known to be susceptible to cold dwell fatigue (CDF), a failure mechanism that has been linked to cold creep during high-load dwell times superimposed onto low cycle fatigue loading. In order to shed new light on the deformation mechanisms during cold dwell and to understand better the role of the microstructure, two different bimodal microstructures (fine and coarse transformation product) of TIMETAL®834 were investigated at stress levels below the 0.2% proof stress using a combination of grain orientation mapping and in-situ electron microscopy imaging. This enabled in-depth analysis of 2D slip patterns and slip system activity using High-Resolution Digital Image Correlation (HRDIC), showing that in both microstructures basal slip is initially the dominant slip mode before prismatic slip activity increases approaching the 0.2% proof stress. Comparing the two constituents in the bimodal microstructure, first slip bands are localised predominantly in primary α grains, indicating higher strength of secondary α colonies, particularly for finer transformation products. During 10-minute load holds at stresses below 0.2% proof stress, more plastic strain and longer connected slip traces across several grains were observed in the sample with coarse transformation product, indicating higher susceptibility to cold creep deformation.
已知近α钛合金易受冷停留疲劳(CDF)的影响,这是一种与高负荷停留时间叠加到低周疲劳载荷时的冷蠕变有关的失效机制。为了揭示冷置过程中的变形机制,更好地理解微观结构的作用,利用晶粒取向图和原位电子显微镜成像相结合的方法,研究了在低于0.2% proof应力水平下,TIMETAL®834的两种不同的双峰组织(细转变产物和粗转变产物)。这使得利用高分辨率数字图像相关(HRDIC)对二维滑动模式和滑动系统活动进行深入分析成为可能,结果表明,在这两个微观结构中,基底滑动最初是主要的滑动模式,然后棱柱滑动活动增加,接近0.2%的抗应力。比较双峰组织中的两种成分,第一滑移带主要分布在初生α晶粒中,表明次生α菌落强度更高,特别是对于更细的转变产物。在低于0.2%证明应力的10分钟载荷保持期间,在具有粗转变产物的样品中观察到更多的塑性应变和更长的连接滑移痕迹,表明对冷蠕变的敏感性更高。
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引用次数: 16
Combining Crystal Plasticity and Electron Microscopy to Elucidate Texture Dependent Micro-Mechanisms of Tensile Deformation in Lath Martensitic Steel 结合晶体塑性和电镜研究板条马氏体钢拉伸变形的织构相关微观机制
Pub Date : 2022-02-01 DOI: 10.2139/ssrn.3878355
A. Chatterjee, Md. Basiruddin Sk, Abhijit Ghosh, R. Mitra, D. Chakrabarti
A modified 9Cr-1Mo steel having lath martensitic microstructure has been subjected to the hot-rolling at three different temperatures followed by a normalization at 1025 °C to form different crystallographic textures after thermomechanical processing. The samples hot-rolled at 875 °C, 1000 °C and 1050 °C showed major texture components as Goss (i.e. {110}<001>), Cube (i.e. {001}<0‾10>) and Gamma (i.e. {111}<‾1‾12>), respectively. Next, these samples have been uniaxial tensile tested at quasi-static strain rate at room temperature, and tensile properties are evaluated. The results indicated almost similar strength levels for Goss and Cube oriented specimens, and significantly reduced strength for Gamma oriented samples. However, the Cube and Goss oriented samples showed different strain hardening rates owing to the occurrence of deformation induced twinning and anti-twinning phenomenon as revealed by the Visco-plastic self-consistent polycrystal plasticity simulations. Simulation results were validated with experimental observations using high-resolution transmission electron microscopy. Anisotropic parameters have also been simulated considering the difference in initial crystallographic orientations. Study of deformation micro-mechanism at different length scale of martensitic units (e.g., prior-austenite grain, martensitic packets, block, sub-block, and laths) revealed negligible rotations at the prior-austenite grain level, whilst the lattice rotations were found to be significant at martensitic sub-block length scale. The investigation indicated that some specific types of martensitic variants generally participated in large lattice rotation during deformation for differently textured samples.
对具有板条马氏体组织的改性9Cr-1Mo钢进行了三种不同温度下的热轧,并在1025℃下进行了正火处理,形成了不同的结晶组织。在875°C、1000°C和1050°C下热轧的样品,其主要织构成分分别为Goss(即{110}<001>)、Cube(即{001}<0, 10>)和Gamma(即{111}< 1, 12>)接下来,在室温下对这些样品进行了准静态应变速率的单轴拉伸测试,并对拉伸性能进行了评估。结果表明,Goss取向和Cube取向试样的强度水平几乎相同,而Gamma取向试样的强度显著降低。然而,粘塑性自一致多晶塑性模拟结果显示,Cube取向和Goss取向试样由于变形诱导孪晶和反孪晶现象的发生而表现出不同的应变硬化速率。仿真结果与高分辨率透射电镜实验观察结果相吻合。考虑初始晶体取向的差异,模拟了各向异性参数。对不同长度尺度的马氏体单元(如:前奥氏体晶粒、马氏体包、块状、亚块状和板条)变形微观机制的研究表明,在前奥氏体晶粒水平上的旋转可以忽略不计,而在马氏体亚块状长度尺度上,晶格旋转是显著的。研究表明,在不同织构的试样变形过程中,某些特定类型的马氏体变体普遍参与较大的晶格旋转。
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引用次数: 5
Characterization and Statistical Modeling of Texture and Microstructure Evolution in Dynamically Fractured Electron Beam Melted Ti-6Al-4V 动态断裂电子束熔化Ti-6Al-4V织构与组织演变的表征与统计建模
Pub Date : 2022-01-01 DOI: 10.2139/ssrn.3949514
R. Alaghmandfard, M. Mahdavi, P. Seraj, H. Pirgazi, Dharmendra Chalasani, B. S. Amirkhiz, L. Kestens, A. Odeshi, S. Liang, H. Garmestani, M. Mohammadi
Two different Ti-6Al-4V cylindrical rods, horizontally and vertically built, fabricated through the electron beam melting technique, were underwent compression loadings to failure at the strain rates of 2350s-1 and 1750s-1, respectively. Low-angle grain boundary formation, dislocation array, and dislocation pinning were observed and attributed to the stress-induced dislocation formation in the as-built microstructure. Superior strength at each strain rate in vertically built samples was concluded to be a consequence of its finer microstructure and the presence of martensite α'. Hardness measurements revealed higher values at the areas close to the fracture surface. Electron microscopic characterization revealed parallel-twin formation resulting from adiabatic temperature rise, increasing short-ranged clustering, and the high stacking fault energy. Dynamic compressive deformation led to the appearance of dislocation structure, cell blocks, and extended dislocation walls formation. Texture analysis showed type pyramidal slip systems and contraction twins as the most favorable slip systems. Texture evolution interpretations from the region far from the area close to the fractured surface indicated that mean grain size decreased, and higher dislocation densities were obtained. The more preferred texture tended to rotate by approaching the fracture surface so that the basal plane became parallel to the fracture surface, which is directly related to the facilitation of crack propagation. Moreover, the generalized spherical harmonics were used to apply 2-point statistics on the texture and then statistically compare the texture changes. The results were in good agreement statistically, where principal components (PC) were utilized to explain variances in the database.
采用电子束熔化技术制备了两种不同的Ti-6Al-4V圆柱棒,分别在2350s-1和1750s-1的应变速率下进行了水平和垂直的压缩加载直至失效。观察到低角度晶界形成、位错排列和位错钉住,并将其归因于在构建的微观组织中应力诱导的位错形成。在垂直构建的样品中,在每个应变速率下都具有优异的强度,这是由于其更精细的组织和马氏体α'的存在。硬度测量显示,靠近断口的区域硬度值较高。电镜表征表明,由于绝热升温,近程聚类增加,层错能高,形成平行孪晶。动态压缩变形导致位错结构、胞块和扩展位错壁的形成。织构分析表明,锥型滑移体系和收缩孪晶滑移体系是最有利的滑移体系。远离断裂面附近区域的织构演化解释表明,平均晶粒尺寸减小,位错密度增大。优选织构倾向于向断面靠近旋转,使基面与断面平行,这与促进裂纹扩展有直接关系。利用广义球面谐波对纹理进行两点统计,对纹理变化进行统计比较。结果在统计上很一致,其中主成分(PC)被用来解释数据库中的差异。
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引用次数: 2
Crystallographic Orientation and Spatially Resolved Damage for Polycrystalline Deformation of a High Manganese Steel 高锰钢多晶变形的晶体取向与空间分辨损伤
Pub Date : 2022-01-01 DOI: 10.2139/ssrn.3890356
Q. Xie, Zhiran Yan, Dunji Yu, K. An, Xingchen Yan, Shuo Yin, Xiaolong Wu, P. Yang, Zhengzhi Zhao, Yandong Wang
In-situ neutron diffraction investigation on a high manganese steel, which was stretched before or after the fatigue loading, renders a meso-scale damage criterion: the {111} and {422} lattice strains along the transverse direction violating the Poisson effect signifies severe damage. They either showed no more lattice contraction corresponding to increasing of the tensile stress or transversal expansion during the plastic stage of tension. Distribution of the damaged grains was further investigated by the full-width at half-maximum pole figures. The crystal plasticity simulations justify the rationality of the damage criterion, and it could relate to the orientation distribution of the damaged slip/twinning planes. The cracks mainly distributed at the transverse surface. It is shown that the strong interaction between twin boundaries and slip dislocations could result in heavy damage at the surface, with a morphology of curved twin boundaries. Also, grain boundaries and the narrow deformation twins often correspond to different amplitudes of transversal contraction and expansion than other surface areas during the tension-compression fatigue loading, which may trigger the surface cracks. It is due to large crystallographic orientation gradients. The present paper provides a sound routine to identify criterions of the plastic damage for face-centered-cubic (FCC) polycrystals.
对疲劳加载前后拉伸的高锰钢进行了原位中子衍射分析,得出了细观损伤判据:沿横向的{111}和{422}晶格应变违反泊松效应,表明损伤严重。在拉伸塑性阶段,随着拉伸应力的增加,晶格不再收缩,横向也不再膨胀。利用半最大极图的全宽度进一步研究了损伤晶粒的分布。晶体塑性模拟验证了损伤判据的合理性,该判据与损伤滑移/孪晶面的取向分布有关。裂纹主要分布在横向表面。结果表明,双晶界与滑移位错之间的强烈相互作用会导致表面的严重损伤,其形态为弯曲的双晶界。在拉伸-压缩疲劳加载过程中,晶界和窄变形孪晶对应的横向收缩和膨胀幅度往往不同于其他表面区域,这可能引发表面裂纹。这是由于大的晶体取向梯度。本文为面心立方(FCC)多晶塑性损伤判据的识别提供了一种完善的方法。
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引用次数: 10
期刊
AMI: Acta Materialia
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