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Hierarchical Deformation and Anisotropic Behavior of (α+β) Ti Alloys: A Microstructure-Informed Multiscale Constitutive Model Study (α+β) Ti 合金的分层变形和各向异性行为:基于微观结构的多尺度构造模型研究
IF 9.8 1区 材料科学 Q1 ENGINEERING, MECHANICAL Pub Date : 2024-11-08 DOI: 10.1016/j.ijplas.2024.104163
C. Herath, K. Wijesinghe, J.G. Michopoulos, S.M. Arnold, A. Achuthan
In this study, the hierarchical deformation and anisotropic behavior of (α+β) Ti alloys are investigated using a novel microstructure-informed multiscale constitutive model. State-of-the-art crystal plasticity finite element (CPFE) models, due to their emphasis on a single length scale, are inadequate for capturing the complex hierarchical behavior of additively manufactured (AM) (α+β) titanium alloys, which are characterized by columnar grains and lamellar subgrain features at distinct length scales. To overcome this limitation, a decoupled multiscale framework was developed, integrating representative volume elements (RVEs) for both the columnar grain structure at the higher length scale and the subgrain microstructure at the lower length scale, with equal emphasis on each. The material behaviors at these scales were modeled using an anisotropic classical plasticity model and a mechanism-based CPFE model, respectively. The framework was experimentally validated for Directed Energy Deposition (DED) manufactured Ti-6Al-4V and used to investigate microscopic stress/strain fields, deformation localizations at grain and subgrain levels, and stress partitioning among neighboring grains. Insights from these studies led to the proposal of a new theory of anisotropy in AM (α+β) titanium alloys.
在本研究中,我们使用一种新型的微结构多尺度构成模型研究了(α+β)钛合金的分层变形和各向异性行为。最先进的晶体塑性有限元(CPFE)模型强调单一长度尺度,不足以捕捉添加制造(AM)(α+β)钛合金的复杂分层行为,这种合金在不同长度尺度上具有柱状晶粒和片状亚晶粒特征。为了克服这一局限性,我们开发了一个解耦多尺度框架,将较高长度尺度上的柱状晶粒结构和较低长度尺度上的亚晶粒微观结构的代表性体积元素(RVE)整合在一起,并对两者给予同等重视。这些尺度上的材料行为分别使用各向异性经典塑性模型和基于机理的 CPFE 模型进行建模。该框架在定向能沉积 (DED) 制造的 Ti-6Al-4V 中得到了实验验证,并用于研究微观应力/应变场、晶粒和亚晶粒级的变形定位以及相邻晶粒间的应力分配。通过这些研究,我们提出了 AM (α+β) 钛合金各向异性的新理论。
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引用次数: 0
Achieving high strength and ductility of titanium matrix composite reinforced with networked TiB via SPS sintering of core-shell powder and accumulative hot rolling 通过核壳粉末的 SPS 烧结和累积热轧实现网络化 TiB 增强钛基复合材料的高强度和延展性
IF 9.8 1区 材料科学 Q1 ENGINEERING, MECHANICAL Pub Date : 2024-11-06 DOI: 10.1016/j.ijplas.2024.104166
Guo-Dong Sun, Jun-Jie Cheng, Ze-Kun Zheng, Jing-Li Zhang, Xu-Wen Su, Peng-Fei Zhang, Ming-Jia Li, Jun-Jie Xu, Xiao-Qi Mao, Long-Long Dong, Ming-Yang Li
The enhancement of strength and ductility of titanium matrix composites (TMCs) is crucial for lightweighting and expanding their advanced engineering applications. However, it is still a challenge for TMCs to achieve ultrahigh tensile strength with suitable ductility. In this study, a special low-temperature accumulative hot rolling (AHR) process was proposed to regulate the grain/phase boundaries and dislocation structures of TMCs reinforced with networked TiB. Through the AHR process, we have achieved exceptionally tensile strength and yield strength of 1570 MPa and 1460 MPa, respectively, accompanied with a suitable ductility of ∼7.5%. During the AHRed process, the majority of α-Ti grains rotated towards the favorable orientations, which display high SFs for basal slip in ND and prismatic slip in RD, respectively, resulting in the formation of {0002} texture. The accumulation and recovery of dislocations led to the formation of high-density sub-grain boundaries and geometrically necessary dislocations (GNDs) within α-Ti grains. Specifically, the GNDs rose dramatically from 1.06 × 1014 m−2 to 8.16 × 1014 m−2, whereas the size of α-Ti grains decreased significantly from 6.8 to 1.1 μm. In the β phase grains, secondary phase transformation was induced via the AHR process, resulting in the introduction of high-density nano-scaled secondary α-Ti lamellae (∼4 nm) with a fully coherent interface {110}BCC//{0002}HCP. After the AHR process, the crack nucleation and prolongation along the networked TiB was inhibited, resulting in the enhancement of ductility. This special AHR strategy, combining grain/hetero-phase boundary engineering and dislocation engineering, has great potential and universality for designing TMCs with both ultrahigh strength and suitable ductility.
提高钛基复合材料(TMC)的强度和延展性对于轻量化和扩大其先进工程应用至关重要。然而,钛基复合材料要达到超高拉伸强度和适当的延展性仍是一项挑战。在这项研究中,我们提出了一种特殊的低温累积热轧(AHR)工艺来调节用网络化 TiB 增强的 TMC 的晶粒/相界和位错结构。通过 AHR 工艺,我们获得了超常的抗拉强度和屈服强度,分别为 1570 兆帕和 1460 兆帕,同时还获得了 ∼7.5% 的适当延展性。在 AHRed 过程中,大部分 α-Ti 晶粒向有利取向旋转,在 ND 中显示出较高的基底滑移 SFs,在 RD 中显示出较高的棱柱滑移 SFs,从而形成了 {0002} 纹理。位错的积累和恢复导致在α-钛晶粒内形成了高密度的亚晶界和几何必要位错(GNDs)。具体来说,GNDs 从 1.06 × 1014 m-2 显著上升到 8.16 × 1014 m-2,而 α-Ti 晶粒的尺寸则从 6.8 μm 显著下降到 1.1 μm。在 β 相晶粒中,通过 AHR 过程诱导了二次相变,从而引入了高密度纳米级二次α-钛薄片(∼4 nm),其界面为完全相干的{110}BCC//{0002}HCP。经过 AHR 处理后,沿网络状 TiB 的裂纹成核和扩展受到抑制,从而提高了延展性。这种结合了晶粒/异相边界工程和位错工程的特殊 AHR 策略在设计具有超高强度和适当延展性的 TMC 方面具有巨大的潜力和普遍性。
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引用次数: 0
Characterization of compressive fracture strain based on bilinear strain paths 基于双线性应变路径的压缩断裂应变表征
IF 9.4 1区 材料科学 Q1 ENGINEERING, MECHANICAL Pub Date : 2024-11-06 DOI: 10.1016/j.ijplas.2024.104168
Kwanghyun Yu , Jeong Whan Yoon
This study proposes the compressive fracture characterization method using bilinear strain paths: pre-tension and compression. Compressive ductile fracture exhibits extremely large strain, which has been regarded as being difficult to be measured. Large deformation under compressive loading makes the shape of a specimen barreled and changes the stress triaxiality rapidly. Due to these complicated and large strains, compressive fracture strain can be considered to be within the so-called cut-off region where no fracture occurs. In order to enable compression tests to be easier, an approach that can lower the range of fracture strain is needed. Uniaxial tensile deformation is a strain path that induces the growth of voids inside ductile materials and leads to ductility reduction. Ductile materials subjected to pre-tensile loading before compressive loading can show the premature compressive fracture. A ductile fracture model capable of predicting the cut-off region is selected for ductile fracture loci of the bilinear strain paths and implemented into the numerical simulation with different pre-tensile strain levels. The verification of the proposed characterization method is performed by comparing experimental data and simulation results for fractured specimen shapes and load-displacement curves.
本研究提出了使用双线性应变路径(预拉伸和压缩)的压缩断裂表征方法。压缩韧性断裂表现出极大的应变,这一直被认为是难以测量的。压缩载荷下的大变形会使试样的形状呈条状,并迅速改变应力的三轴性。由于这些复杂而巨大的应变,压缩断裂应变可被认为是在不会发生断裂的所谓截断区域内。为了简化压缩试验,需要一种能降低断裂应变范围的方法。单轴拉伸变形是一种应变路径,可诱导韧性材料内部空隙的增长,并导致韧性降低。韧性材料在压缩加载前受到预拉伸加载,会出现过早的压缩断裂。针对双线性路径的韧性断裂位置,选择了一个能够预测断裂区域的韧性断裂模型,并将其应用于不同预拉伸应变水平的数值模拟中。通过比较断裂试样形状和载荷-位移曲线的实验数据和模拟结果,验证了所提出的表征方法。
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引用次数: 0
Influence of grain size on strain-induced phase transformation in a CrCoNi multi-principal element alloy 晶粒尺寸对铬钴镍多主元合金中应变诱导相变的影响
IF 9.4 1区 材料科学 Q1 ENGINEERING, MECHANICAL Pub Date : 2024-11-06 DOI: 10.1016/j.ijplas.2024.104164
Gustavo Bertoli , Amy J. Clarke , Michael J. Kaufman , Claudio S. Kiminami , Francisco G. Coury
A Cr40Co40Ni20 (at.%) alloy with different grain/crystallite sizes was analyzed through in-situ synchrotron X-ray diffraction during tensile testing. The FCC starting structure underwent a partial strain-induced transformation to HCP (TRIP effect) and the percent transformed was measured throughout the deformation. The critical stress required to form a certain HCP fraction was shown to follow a Hall-Petch relation (σTRIP = σTRIP,0 + kTRIPd-0.5), with the Hall-Petch slope being approximately the same for yield stress and TRIP effect (kykTRIP). Furthermore, this work developed a Hall-Petch-based model that correlates the applied stress, the transformed phase fraction, and the initial FCC grain/crystallite size. It predicts the stress required to form a certain HCP fraction, or the fraction formed when a certain stress is applied, for different grain/crystallite sizes. We also proposed a mechanism to explain the grain/crystallite size dependence of the TRIP effect and discuss how the TRIP effect and its early activation in the Cr40Co40Ni20 alloy provide high work-hardening capacity, which improves ductility and toughness. Here, a refined FCC grain size (d = 1.3; c = 0.7 μm) was shown to increase the yield stress by at least 100 % (417 → 834 MPa), compared to a coarser grain material (17; 6.8 μm), while maintaining a high ductility of 41 %. This work contributes to a better understanding of the deformation mechanisms, mainly the strain-induced phase transformation (TRIP), highlighting their impact and importance on mechanical properties.
在拉伸测试过程中,通过原位同步辐射 X 射线衍射分析了具有不同晶粒/结晶尺寸的 Cr40Co40Ni20 (at.%)合金。FCC 初始结构经历了部分应变诱导的 HCP 转变(TRIP 效应),并在整个变形过程中测量了转变的百分比。研究表明,形成一定 HCP 部分所需的临界应力遵循霍尔-佩奇关系(σTRIP = σTRIP,0 + kTRIPd-0.5),屈服应力和 TRIP 效应的霍尔-佩奇斜率大致相同(ky ≈ kTRIP)。此外,这项工作还开发了一个基于霍尔-佩奇的模型,该模型将施加应力、转化相分数和初始催化裂化晶粒/晶粒尺寸相关联。该模型预测了在不同晶粒/结晶尺寸下形成特定 HCP 分数或施加特定应力时形成的分数所需的应力。我们还提出了一种机制来解释 TRIP 效应的晶粒/晶粒尺寸依赖性,并讨论了 TRIP 效应及其在 Cr40Co40Ni20 合金中的早期激活如何提供高加工硬化能力,从而改善延展性和韧性。研究表明,与较粗的晶粒材料(17;6.8 μm)相比,细化的 FCC 晶粒大小(d = 1.3;c = 0.7 μm)可将屈服应力提高至少 100%(417 → 834 MPa),同时保持 41% 的高延展性。这项研究有助于更好地理解变形机制,主要是应变诱导相变(TRIP),突出了其对机械性能的影响和重要性。
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引用次数: 0
Towards extraordinary strength-ductility synergy in pure Mg via dislocation transmutation 通过位错嬗变实现纯镁的超常强度-电导率协同效应
IF 9.4 1区 材料科学 Q1 ENGINEERING, MECHANICAL Pub Date : 2024-11-05 DOI: 10.1016/j.ijplas.2024.104160
Liuyong He , Jiang Zheng , Mengning Xu , Tianjiao Li , Dongdi Yin , Bin Jiang , Fusheng Pan , Hao Zhou
Navigating the strength-ductility trade-off has been a persistent challenge in Mg alloys. Here, we address this issue through a novel multiple-direction pre-deformation at room temperature that introduces a high density of 〈c + a〉 dislocations into pure Mg via dislocation transmutation. This approach achieves a remarkable enhancement in the strength-ductility synergy, increasing the yield strength from 87.6 MPa to 156.6 MPa and improving elongation to failure from 7.7% to 17.6%. In general, introducing a high-density 〈c + a〉 dislocations in Mg alloys have been difficult due to the high CRSS at room temperature. Our findings reveal that extension twinning can act as a “dislocation converter,” transforming basal 〈a〉 dislocations in the matrix into 〈c + a〉 dislocations within twins. Intensive basal 〈a〉 dislocations were induced in pure Mg through pre-tension and subsequently transformed into 〈c + a〉 dislocations via extension twinning during compression. This process led to a substantial number of 〈c + a〉 dislocations and I1 stacking faults, contributing to the enhanced strength. The high density of 〈c + a〉 dislocations, combined with I1 stacking faults and a reduced c/a ratio within twins, enhances the activity of pyramidal 〈c + a〉 slip, thereby significantly improving ductility. This dislocation transmutation strategy offers a promising way for producing strength-ductility synergy in Mg alloys.
在镁合金中,如何权衡强度与电导率一直是个难题。在这里,我们通过一种新颖的室温多向预变形方法来解决这一问题,该方法通过位错嬗变将高密度的<c+a>位错引入到纯镁中。这种方法显著提高了强度-电导率协同效应,将屈服强度从 87.6 兆帕提高到 156.6 兆帕,并将失效伸长率从 7.7% 提高到 17.6%。一般来说,由于室温下的高CRSS,在镁合金中引入高密度位错是很困难的。我们的研究结果表明,延伸孪晶可以充当 "位错转换器",将基体中的基底位错转化为孪晶中的<c+a>位错。通过预拉伸在纯镁中诱导出密集的基底位错,随后在压缩过程中通过延伸孪晶将其转化为<c+a>位错。这一过程产生了大量的<c+a>位错和I1堆积断层,从而提高了强度。高密度的<c+a>位错与I1叠层断层以及孪晶内部降低的c/a比相结合,增强了金字塔<c+a>滑移的活性,从而显著提高了延展性。这种位错嬗变策略为在镁合金中产生强度-韧性协同效应提供了一种可行的方法。
{"title":"Towards extraordinary strength-ductility synergy in pure Mg via dislocation transmutation","authors":"Liuyong He ,&nbsp;Jiang Zheng ,&nbsp;Mengning Xu ,&nbsp;Tianjiao Li ,&nbsp;Dongdi Yin ,&nbsp;Bin Jiang ,&nbsp;Fusheng Pan ,&nbsp;Hao Zhou","doi":"10.1016/j.ijplas.2024.104160","DOIUrl":"10.1016/j.ijplas.2024.104160","url":null,"abstract":"<div><div>Navigating the strength-ductility trade-off has been a persistent challenge in Mg alloys. Here, we address this issue through a novel multiple-direction pre-deformation at room temperature that introduces a high density of 〈<em>c</em> + <em>a</em>〉 dislocations into pure Mg via dislocation transmutation. This approach achieves a remarkable enhancement in the strength-ductility synergy, increasing the yield strength from 87.6 MPa to 156.6 MPa and improving elongation to failure from 7.7% to 17.6%. In general, introducing a high-density 〈<em>c</em> + <em>a</em>〉 dislocations in Mg alloys have been difficult due to the high CRSS at room temperature. Our findings reveal that extension twinning can act as a “dislocation converter,” transforming basal 〈a〉 dislocations in the matrix into 〈<em>c</em> + <em>a</em>〉 dislocations within twins. Intensive basal 〈a〉 dislocations were induced in pure Mg through pre-tension and subsequently transformed into 〈<em>c</em> + <em>a</em>〉 dislocations via extension twinning during compression. This process led to a substantial number of 〈<em>c</em> + <em>a</em>〉 dislocations and I<sub>1</sub> stacking faults, contributing to the enhanced strength. The high density of 〈<em>c</em> + <em>a</em>〉 dislocations, combined with I<sub>1</sub> stacking faults and a reduced c/a ratio within twins, enhances the activity of pyramidal 〈<em>c</em> + <em>a</em>〉 slip, thereby significantly improving ductility. This dislocation transmutation strategy offers a promising way for producing strength-ductility synergy in Mg alloys.</div></div>","PeriodicalId":340,"journal":{"name":"International Journal of Plasticity","volume":"183 ","pages":"Article 104160"},"PeriodicalIF":9.4,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142580559","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Exceptional tensile ductility and strength of a BCC structure CLAM steel with lamellar grains at 77 kelvin 具有片状晶粒的 BCC 结构 CLAM 钢在 77 开尔文条件下的优异拉伸延展性和强度
IF 9.4 1区 材料科学 Q1 ENGINEERING, MECHANICAL Pub Date : 2024-11-04 DOI: 10.1016/j.ijplas.2024.104161
Jinhua Zhou , Jing Wang , Jungang Ren , Robert O. Ritchie , Zuncheng Wang , Yuchao Wu , Zhufeng He , Xin Wang , Ying Fu , Yifu Jiang , Lin Wang , Xiaowei Yin
The low-temperature tensile brittleness of body-centered cubic (BCC) metals and alloys can seriously compromise their service applications. In this study, we prepared a BCC structured China low activation martensitic steel (CLAM) steel with lamellar grains by regulating the rolling and heat-treatment processes, successfully reversing the decreasing trend of ductility in the steel with decrease in temperature. Compared with current face-centered cubic (FCC) structural steels and high-entropy alloys, the lamellar grained CLAM steel exhibits an excellent synergy of strength and ductility at 77K, but with lower raw material costs. The superior low temperature ductility of the lamellar grained steel can be attributed to an increase in grain strength at low temperatures which promotes the propagation of layered tearing cracks; this in turn leads to a significant increase in the necking area of the steel, thereby compensating for the decrease in ductility. We conclude that our lamellar grain structures can be utilized to significantly enhance the low-temperature tensile ductility of BCC metals and alloys, thereby expanding their service range to cryogenic temperatures.
体心立方(BCC)金属和合金的低温拉伸脆性会严重影响其应用。在这项研究中,我们通过调节轧制和热处理工艺制备了具有片状晶粒的体心立方结构中国低活化马氏体钢(CLAM),成功扭转了钢的延展性随温度降低而下降的趋势。与目前的面心立方(FCC)结构钢和高熵合金相比,片状晶粒 CLAM 钢在 77K 温度下具有出色的强度和延展性协同作用,而且原材料成本更低。片状晶粒钢优异的低温延展性可归因于低温下晶粒强度的增加,这促进了层状撕裂裂纹的扩展;这反过来又导致钢的缩颈面积显著增加,从而弥补了延展性的下降。我们的结论是,我们的片状晶粒结构可用于显著增强 BCC 金属和合金的低温拉伸延展性,从而将其使用范围扩大到低温。
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引用次数: 0
Deformation mechanism of a metastable medium entropy alloy strengthened by the synergy of heterostructure design and cryo-pre-straining 通过异质结构设计和低温预拉伸的协同作用强化可蜕变中等熵合金的变形机制
IF 9.4 1区 材料科学 Q1 ENGINEERING, MECHANICAL Pub Date : 2024-11-04 DOI: 10.1016/j.ijplas.2024.104162
Shilei Liu , Haitao Gao , Daixiu Wei , Charlie Kong , L.S.R. Kumara , M.W. Fu , Hailiang Yu
Face-centered cubic (FCC) medium entropy alloys (MEAs) have received considerable attention due to their impressive mechanical properties and responses. However, their practical application is limited by their modest yield strengths. The potential enhancement of the mechanical properties of single-phase MEAs was explored in this study through a synergistic approach combining heterogeneous structure design with subsequent cryo-pre-straining. A heterogeneous lamella structure was produced in a single-phase Fe55Mn20Cr15Ni10 MEA via two-step rolling and annealing. Cryo-pre-straining at varying degrees (6, 12, 21, and 36%) introduced hexagonal close-packed (HCP) phase, high-density dislocations, twins, and stacking faults, leveraging the reduced stacking fault energy at cryogenic temperatures. This process enhanced the alloy's yield strength from 353 MPa to 1.2 GPa (compared to the baseline uniform coarse-grained structure), while maintaining an acceptable total elongation of 8.4%. The impact of cryo-pre-straining on the microstructure and mechanical properties of the MEA was assessed using in-situ synchrotron X-ray diffraction analysis. Cryo-pre-straining (36%) achieved a higher dislocation density (6.1 × 1015 m−2) compared to room-temperature straining (2.5 × 1015 m−2). The stress contribution from HCP-martensite and the evolution of dislocation density during loading were quantified, along with observations of negative stacking fault probability and strain-induced HCP→FCC reverse transformation in cryo-pre-strained samples under loading conditions. Furthermore, the contributions of regulated microstructures to the enhancement of yield strength were quantitatively assessed.
面心立方(FCC)中熵合金(MEAs)因其令人印象深刻的机械性能和反应而备受关注。然而,它们的实际应用却因屈服强度不高而受到限制。本研究通过异质结构设计与后续低温预拉伸相结合的协同方法,探索了提高单相中熵合金机械性能的潜力。通过两步轧制和退火,在单相 Fe55Mn20Cr15Ni10 MEA 中产生了异质薄片结构。不同程度的低温预应变(6%、12%、21% 和 36%)引入了六方紧密堆积(HCP)相、高密度位错、孪晶和堆积断层,充分利用了低温下堆积断层能量的降低。这一过程将合金的屈服强度从 353 兆帕提高到 1.2 GPa(与基线均匀粗晶粒结构相比),同时保持了 8.4% 的可接受总伸长率。利用原位同步辐射 X 射线衍射分析评估了低温预拉伸对 MEA 的微观结构和机械性能的影响。与室温应变(2.5 × 1015 m-2)相比,低温预应变(36%)实现了更高的位错密度(6.1 × 1015 m-2)。在加载条件下,对低温预应变样品的负堆积断层概率和应变诱导的 HCP→FCC 反向转变进行了观察,同时量化了加载过程中 HCP-马氏体的应力贡献和位错密度的演变。此外,还定量评估了规范微结构对提高屈服强度的贡献。
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引用次数: 0
Dynamic deformation and fracture of brass: Experiments and dislocation-based model 黄铜的动态变形和断裂:实验和基于位错的模型
IF 9.4 1区 材料科学 Q1 ENGINEERING, MECHANICAL Pub Date : 2024-11-02 DOI: 10.1016/j.ijplas.2024.104165
E.S. Rodionov, V.V. Pogorelko, V.G. Lupanov, A.G. Fazlitdinova, P.N. Mayer, A.E. Mayer
In this work, we perform a comprehensive study of the dynamic deformation and fracture of brass, including Taylor tests with classical and profiled cylinders and ball throwing experiments reaching the strain rates of about (0.1−1)/μs, as well as atomistic and continuum-level numerical modeling. Molecular dynamics (MD) simulations are used to construct the equation of state (EOS) of brass and to study its fracture characteristics at shear deformation under negative pressure. An original model of fracture under combined tensile-shear loading is formulated, which takes into account both the accumulation of empty volume in the process of lattice loosening due to the lattice defect production in the course of plastic deformation and further mechanical growth of voids controlled by the dislocation plasticity. This atomic-scale model is transmitted to the macroscopic experiment-scale level and embedded into 3D dislocation plasticity model to describe the dynamic deformation and fracture of brass using the numerical scheme of smoothed particle hydrodynamics (SPH). A part of experimental data is used to find the optimal parameters of the dislocation plasticity model by means of the Bayesian global optimization method accelerated with the help of artificial-neural-network (ANN)-based emulator of the 3D model. Another part of experimental data is used to fit the fracture model parameter. The remaining experimental data, which are not used in the parameterization, are applied to verify the parameterized model. The developed physical-based model provides correct and meaningful description of the dynamic deformation and fracture of brass, while the developed formalized approach to its parameterization opens a way to wider use of this type of models in the engineering applications, including studies on dynamic performance and high-speed processing technologies.
在这项工作中,我们对黄铜的动态变形和断裂进行了全面研究,包括传统圆柱体和异型圆柱体的泰勒试验、应变率约为 (0.1-1)/μs 的抛球试验,以及原子和连续级数值建模。分子动力学(MD)模拟用于构建黄铜的状态方程(EOS),并研究其在负压下剪切变形时的断裂特性。该模型既考虑了在塑性变形过程中由于晶格缺陷产生的晶格松动过程中空体积的积累,也考虑了由位错塑性控制的空隙的进一步机械增长。该原子尺度模型被传输到宏观实验尺度水平,并嵌入三维位错塑性模型,利用平滑粒子流体力学(SPH)数值方案描述黄铜的动态变形和断裂。在基于人工神经网络(ANN)的三维模型仿真器的帮助下,通过贝叶斯全局优化方法,一部分实验数据被用于寻找位错塑性模型的最佳参数。另一部分实验数据用于拟合断裂模型参数。其余未用于参数化的实验数据则用于验证参数化模型。所开发的基于物理的模型对黄铜的动态变形和断裂提供了正确而有意义的描述,而所开发的正规化参数化方法则为在工程应用中更广泛地使用这类模型开辟了道路,包括对动态性能和高速加工技术的研究。
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引用次数: 0
Understanding Stacking Fault Tetrahedron Formation in FCC Stainless Steel: A Fusion of Transmission Electron Microscopy, Molecular Dynamics, and Machine Learning 了解催化裂化不锈钢中堆积断层四面体的形成:透射电子显微镜、分子动力学和机器学习的融合
IF 9.8 1区 材料科学 Q1 ENGINEERING, MECHANICAL Pub Date : 2024-10-31 DOI: 10.1016/j.ijplas.2024.104157
Pan-Dong Lin, Jun-Feng Nie, Wen-Dong Cui, Lei He, Shu-Gang Cui, Guo-Chao Gu, Gui-Yong Xiao, Yu-Peng Lu
The stacking fault tetrahedron (SFT) formation displays a pronounced size effect, progressing from vacancy equilateral triangular plate to perfect SFT, and eventually to truncated SFT, as demonstrated in numerous irradiated face-centered cubic metals. However, the presence of distinct SFT structures in F321 stainless steel has not been reported. This study explored the SFT formation mechanism in irradiated F321 stainless steel using transmission electron microscopy (TEM), molecular dynamics (MD) simulations, and machine learning. SFTs, Frank loops, and Lomer-Cottrell locks were found to be widely generated in the irradiated F321 steel. The critical size for truncated and perfect SFTs was determined using MD simulations; the results were consistent with the theoretical predictions. Additionally, the twin boundaries observed through TEM, which were attributed to the elevated tensile stress near the boundaries, facilitated the formation of perfect SFTs. Moreover, interstitial Frank loops also facilitated the formation of perfect SFTs. This study also explored the influence of variations in Ni and Cr concentrations on the critical size n1 for the transition from vacancy plates to perfect SFTs and n2 for the transition from perfect SFTs to truncated SFTs, using a combination of MD and machine learning methods. As the Ni concentration increased and the Cr concentration decreased, n1 and n2 increased; conversely, the critical sizes decreased when the Ni concentration decreased and the Cr concentration increased. These insights reveal the systematic mechanism of SFT formation under varied conditions, offering new perspectives for understanding the nano-defects in F321 stainless steel.
堆叠畸变四面体(SFT)的形成显示出明显的尺寸效应,从空缺等边三角形板到完美 SFT,最终到截断 SFT,这在许多辐照面心立方金属中都得到了证明。然而,关于 F321 不锈钢中存在独特的 SFT 结构的报道尚未见诸报端。本研究利用透射电子显微镜(TEM)、分子动力学(MD)模拟和机器学习,探索了辐照 F321 不锈钢中 SFT 的形成机制。研究发现,辐照 F321 钢中广泛存在 SFT、Frank Loops 和 Lomer-Cottrell locks。利用 MD 模拟确定了截短和完美 SFT 的临界尺寸;结果与理论预测一致。此外,通过 TEM 观察到的孪生边界可归因于边界附近拉伸应力的升高,这有利于完美 SFT 的形成。此外,间隙弗兰克环也促进了完美 SFT 的形成。本研究还采用 MD 和机器学习相结合的方法,探讨了镍和铬浓度变化对从空位板过渡到完美 SFT 的临界尺寸 n1 和从完美 SFT 过渡到截断 SFT 的临界尺寸 n2 的影响。随着镍浓度的增加和铬浓度的降低,n1 和 n2 增加;相反,当镍浓度降低和铬浓度增加时,临界尺寸减小。这些见解揭示了不同条件下 SFT 形成的系统机制,为理解 F321 不锈钢中的纳米缺陷提供了新的视角。
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引用次数: 0
Fast Fourier transform approach to Strain Gradient Crystal Plasticity: Regularization of strain localization and size effect 应变梯度晶体塑性的快速傅立叶变换方法:应变局部化和尺寸效应的正则化
IF 9.4 1区 材料科学 Q1 ENGINEERING, MECHANICAL Pub Date : 2024-10-29 DOI: 10.1016/j.ijplas.2024.104153
Amirhossein Lame Jouybari , Samir El Shawish , Leon Cizelj
The Strain Gradient Crystal Plasticity (SGCP) model, based on cumulative shear strain, is developed to regularize and simulate the size effect behavior of polycrystalline aggregates, specifically addressing the formation of localization bands, such as slip and kink bands, influenced by strain softening during the initial stages of plastic deformation. In this respect, the thermodynamically consistent derivation of the SGCP equations is presented, establishing their connection to the kinematics of classical crystal plasticity (CCP) framework. The governing balance equations are solved using the fixed-point algorithm of the fast Fourier transform (FFT)-homogenization method, involving explicit coupling between the classical and SGCP balance equations. To address this problem, a strong 21-voxel finite difference scheme is established. This scheme is considered to solve the higher order balance equation inherent to SGCP. Additionally, three types of interface conditions are implemented to explore the impact of grain boundaries on the transmission of localization bands. These conditions yield consistent intragranular/transgranular localization patterns in the MicroFree and MicroContinuity cases, while in the MicroHard condition all localization bands are intragranular with stress concentrations appearing at the grain boundaries.
Analytical solutions corresponding to different material behaviors are developed and compared with numerical results to validate the numerical implementation of the FFT fixed-point algorithm. It is observed that both the macroscopic behavior and microscopic variables in CCP framework are highly influenced by grid resolutions (non-objective), leading to numerical instabilities arising from the material softening and subsequent formation of localization bands, both in single crystals and polycrystalline aggregates. Remarkably, the developed SGCP model provides results that are independent of grid resolutions (objective) and effectively regularizes the material behavior on local scale. Moreover, the non-local parameter of the model is capable of controlling the localization band widths. Finally, the proposed SGCP model, together with employed MicroHard condition on grain boundaries, is demonstrated to qualitatively reproduce main microstructural features of irradiated polycrystalline materials.
应变梯度晶体塑性(SGCP)以累积剪切应变为基础,用于规范和模拟多晶聚集体的尺寸效应行为,特别是在塑性变形初始阶段受应变软化影响而形成的滑移带和扭结带。在这方面,介绍了 SGCP 方程的热力学一致推导,建立了它们与经典晶体塑性(CCP)框架运动学的联系。利用快速傅立叶变换(FFT)均质化方法的定点算法求解了支配平衡方程,其中涉及经典平衡方程和 SGCP 平衡方程之间的显式耦合。为解决这一问题,建立了一个强 21 象素有限差分方案。该方案用于解决 SGCP 固有的高阶平衡方程。此外,还实施了三种界面条件,以探索晶界对局部带传输的影响。在 MicroFree 和 MicroContinuity 条件下,这些条件产生了一致的粒内/跨粒局部化模式,而在 MicroHard 条件下,所有局部化带都是粒内的,应力集中出现在晶界处。据观察,CCP 框架中的宏观行为和微观变量都受到网格分辨率(非目标)的很大影响,从而导致单晶和多晶聚集体中材料软化和随后形成局部带所引起的数值不稳定性。值得注意的是,所开发的 SGCP 模型提供的结果与网格分辨率(客观)无关,并有效地规范了局部尺度上的材料行为。此外,该模型的非局部参数能够控制局部带宽。最后,所提出的 SGCP 模型与晶界上采用的 MicroHard 条件一起,证明可以定性地再现辐照多晶材料的主要微观结构特征。
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引用次数: 0
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International Journal of Plasticity
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