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Cross-slip and easy-glide CRSS in titanium: Theoretical predictions and in-situ TEM measurements 钛中的交叉滑移和易滑动CRSS:理论预测和原位TEM测量
IF 12.8 1区 材料科学 Q1 ENGINEERING, MECHANICAL Pub Date : 2026-01-02 DOI: 10.1016/j.ijplas.2025.104605
Tolga Berkay Celebi , Orcun Koray Celebi , Daegun You , Ahmed Sameer Khan Mohammed , Ashley Bucsek , Huseyin Sehitoglu
This study investigates the mechanics of prismatic and first-order pyramidal a slip in titanium (Ti), elucidating the physics of easy-glide and cross-slip through a combination of theory and experiments. Screw-character prismatic (Pr) dislocations in Ti are of particular interest because their complex cores can be stable or unstable, leading to activation by either cross-slip or planar glide. To investigate these mechanisms, site-specific micro tensile samples were prepared using focused ion beam (FIB) milling and mounted on a push-to-pull (PTP) device for in-situ transmission electron microscopy (TEM) tensile testing. The in-situ experiments provide direct observations of the onset of dislocation motion and the precise determination of the critical resolved shear stress (CRSS) for the activated mechanisms, and its evolution with load cycling. A comprehensive theory has been developed to predict the CRSS values for easy glide, cross-slip, and multiplication of dislocations. Predicted critical stresses for pyramidal (π)-to-Pr and reverse cross-slip agree closely with the experimental measurements. The latter cross-slip stress is a factor of two higher than that of unobstructed planar slip. The model accounts for overlapping dislocation cores and employs a Wigner-Seitz based cell to evaluate misfit energies. By combining ab initio density functional theory (DFT) with anisotropic elasticity, the framework identifies minimum energy pathways for dislocation glide, which can be intermittent and zig-zag. A simplified expression utilizing (π) and Pr Schmid factor ratios is proposed for critical stress corresponding to (π)-to-Pr cross-slip transition. The results are strongly dependent on crystal orientation, underscoring non-Schmid behavior. Overall, this study explores key critical stress parameters essential for informing higher-scale simulations of plasticity in Ti.
本文研究了钛(Ti)中棱柱形滑移和一阶锥体滑移的力学性质,通过理论和实验相结合的方法阐明了易滑移和交叉滑移的物理性质。钛中的螺旋形棱柱位错是特别有趣的,因为它们的复杂核心可以是稳定的或不稳定的,导致交叉滑动或平面滑动的激活。为了研究这些机制,使用聚焦离子束(FIB)铣削制备了特定部位的微拉伸样品,并将其安装在推拉(PTP)装置上进行原位透射电子显微镜(TEM)拉伸测试。原位实验提供了位错运动开始的直接观察和激活机制的临界分解剪应力(CRSS)的精确测定,以及其随载荷循环的演变。一个全面的理论已经发展到预测易滑动、交叉滑动和位错乘法的CRSS值。预测的锥体(π)- pr和反向交叉滑移的临界应力与实验结果吻合较好。后者的交叉滑移应力比无阻塞平面滑移应力高2倍。该模型考虑了重叠的位错核,并采用基于Wigner-Seitz的单元来评估错配能。该框架将密度泛函理论与各向异性弹性理论相结合,确定了位错滑动的最小能量路径,该路径可以是间歇性的,也可以是锯齿状的。利用(π)和(Pr)施密德因子比提出了(π)到(Pr)交叉滑移过渡对应的临界应力的简化表达式。结果强烈依赖于晶体取向,强调非施密德行为。总的来说,这项研究探索了关键的关键应力参数,为更高尺度的Ti塑性模拟提供了必要的信息。
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引用次数: 0
Indentation-informed convolutional neural network for simultaneous prediction of non-equibiaxial residual stress and plastic flow 同时预测非等双轴残余应力和塑性流动的凹痕卷积神经网络
IF 12.8 1区 材料科学 Q1 ENGINEERING, MECHANICAL Pub Date : 2026-01-01 DOI: 10.1016/j.ijplas.2025.104606
Minwoo Park , Deunbom Chung , Wanchuck Woo , Seungcheol Oh , Kyeongjae Jeong , Heung Nam Han
This study proposes an integrated finite element (FE) simulation and convolutional neural network (CNN) model designed for the simultaneous prediction of plastic properties and surface in-plane non-equibiaxial residual stress from spherical indentation responses. By eliminating the need for stress-free reference specimens, the proposed framework enables non-destructive prediction. The framework leverages indentation load-depth curves and directional deformation profiles derived from validated FE simulations. Sensitivity analyses identify the indenter radius and penetration ratio as critical factors for improving prediction accuracy and maximizing the sensitivity of indentation responses to variations in residual stress. The influence of non-equibiaxial residual stress states on indentation behavior is further elucidated through a mechanistic investigation, which reveals a close association with cumulative volumetric changes in equivalent plastic strain near the indentation zone. The CNN training performance supports the sensitivity-based determination of optimal indentation settings. The model is shown to achieve a mean absolute error corresponding to below 5 % on average for residual stresses, while the plasticity parameters are also well captured. Experimental assessment on copper specimens with homogeneous residual stress fields verifies the accuracy and adaptability of the developed FE–CNN model. Further validation using additively manufactured stainless steel, exhibiting complex heterogeneous residual stresses, shows strong consistency with neutron diffraction measurements. This FE–CNN framework presents a robust and scalable approach for comprehensive mechanical characterization, offering substantial benefits for assessing structural integrity and reliability across diverse industrial applications without recourse to destructive testing.
本研究提出了一种集成有限元(FE)模拟和卷积神经网络(CNN)模型,用于同时预测球面压痕响应的塑性性能和表面面内非等双轴残余应力。通过消除对无应力参考样本的需求,所提出的框架能够进行非破坏性预测。该框架利用了压痕载荷-深度曲线和从经过验证的有限元模拟得出的定向变形曲线。灵敏度分析表明,压痕半径和侵彻比是提高预测精度和最大化压痕响应对残余应力变化敏感性的关键因素。通过力学研究进一步阐明了非等双轴残余应力状态对压痕行为的影响,揭示了压痕区附近等效塑性应变的累积体积变化与压痕区附近等效塑性应变的累积体积变化密切相关。CNN训练性能支持基于灵敏度的最佳缩进设置的确定。结果表明,该模型对残余应力的平均绝对误差小于5%,同时塑性参数也得到了很好的捕捉。对具有均匀残余应力场的铜试样进行了实验评估,验证了所建立的FE-CNN模型的准确性和适应性。用增材制造的不锈钢进一步验证,显示出复杂的非均匀残余应力,与中子衍射测量结果有很强的一致性。这种FE-CNN框架提供了一种强大的、可扩展的方法来进行全面的力学表征,为评估不同工业应用中的结构完整性和可靠性提供了实质性的好处,而无需诉诸破坏性测试。
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引用次数: 0
Modeling strength and ductility of alloys with intragrain compositional inhomogeneities 具有晶内成分不均匀性合金的强度和延展性建模
IF 12.8 1区 材料科学 Q1 ENGINEERING, MECHANICAL Pub Date : 2025-12-29 DOI: 10.1016/j.ijplas.2025.104602
A.M. Smirnov , A.G. Sheinerman , X.T. Li , Z.J. Zhang
Tailoring composition modulation can be a powerful tool to increase strength and ductility of two- and multicomponent alloys. Here we suggest a model that describes the tensile behavior of alloys with three-dimensional composition undulation. Within the model, the stacking fault energy variation, misfit stresses and dislocation pinning by the inhomogeneous solid solution are considered simultaneously. The model reveals that the composition undulation wavelength that provides peak ultimate strength is determined by a balance of three strengthening mechanisms: 1) dislocation pinning by obstacles, which is enhanced at a small undulation wavelength, 2) resistance to dislocation motion due to stacking fault energy variation, which is highest at a moderate undulation wavelength, and 3) dislocation interaction with misfit stresses, which is most pronounced at a high undulation wavelength. In considering the two latter mechanisms we uncovered a sharp transition from the moderate to the high optimum undulation wavelength at a critical value of the ratio of the misfit to the stacking fault energy variation. The two latter mechanisms increase strength at the expense of reduced ductility and do not affect the product of the ultimate strength and the uniform elongation. In contrast, dislocation pinning by obstacles can increase both strength and ductility due to enhanced strain hardening.
调整成分调制是提高双组分和多组分合金强度和延展性的有力工具。本文提出了一种描述具有三维成分波动的合金拉伸行为的模型。模型中同时考虑了层错能变化、错配应力和非均匀固溶体的位错夹紧作用。模型表明,提供峰值极限强度的成分波动波长是由三种强化机制的平衡决定的:1)障碍物对位错的钉住作用,在小波动波长处增强;2)层错能量变化对位错运动的阻力,在中等波动波长处最大;3)位错与错配应力的相互作用,在高波动波长处最明显。在考虑后两种机制时,我们发现在失配与层错能量变化之比的临界值处,从中等最佳波动波长到高最佳波动波长的急剧转变。后两种机制以降低延性为代价提高强度,不影响极限强度和均匀伸长率的乘积。相反,障碍物的位错钉住可以通过强化应变硬化来提高强度和延性。
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引用次数: 0
A micromechanical investigation of plasticity in ordered NbMoCrTiAl and disordered TaNbHfZrTi refractory compositionally complex alloys at room temperature 有序NbMoCrTiAl和无序TaNbHfZrTi难熔复合合金室温塑性细观力学研究
IF 12.8 1区 材料科学 Q1 ENGINEERING, MECHANICAL Pub Date : 2025-12-29 DOI: 10.1016/j.ijplas.2025.104593
Jin Wang , Nicolas J. Peter , Martin Heilmaier , Ruth Schwaiger
Refractory compositionally complex alloys (RCCAs) are known for their exceptional high-temperature resistance. However, their inherent brittleness at room temperature limits broader practical applications. To explore the effects of microstructure and loading conditions on their deformation behavior, micromechanical experiments, including microbending and micropillar compression tests, were performed on two representative RCCAs: equimolar NbMoCrTiAl (ordered B2 crystal structure) and TaNbHfZrTi (disordered A2 crystal structure). Both alloys demonstrated significant plastic deformation, with strains exceeding 40% at room temperature. Despite prior reports of limited ductility in NbMoCrTiAl at the millimeter scale, our micropillar compression tests on single-crystalline pillars oriented along 100 and 110 reveal substantial plasticity. The dominant deformation mechanisms in NbMoCrTiAl were identified as crystallographic slip and cross-slip of screw dislocations. By contrast, TaNbHfZrTi exhibited a broader range of mechanisms, including screw dislocation slip and a high density of non-screw dislocations, accompanied by kink band formation and activation of high-order slip planes, which collectively contribute to its remarkable ductility among the highest reported for body-centered cubic RCCAs. The atomic size mismatch inherent in compositionally complex alloys enhances dislocation mobility, while the random distribution of elements promotes the formation of edge segments, further improving ductility. These findings highlight the critical role of microstructural characteristics in tailoring the deformation behavior of RCCAs for room-temperature applications.
耐火成分复杂合金(RCCAs)以其优异的耐高温性能而闻名。然而,它们在室温下固有的脆性限制了其更广泛的实际应用。为了探讨微观结构和加载条件对其变形行为的影响,对两种具有代表性的RCCAs:等摩尔NbMoCrTiAl(有序B2晶体结构)和TaNbHfZrTi(无序A2晶体结构)进行了显微力学实验,包括微弯曲和微柱压缩试验。两种合金均表现出明显的塑性变形,室温下的应变均超过40%。尽管之前有报道称NbMoCrTiAl在毫米尺度上的延展性有限,但我们在< 100 >和< 110 >取向的单晶柱上进行的微柱压缩测试显示出了可观的塑性。NbMoCrTiAl的主要变形机制是晶体滑移和螺旋位错的交叉滑移。相比之下,TaNbHfZrTi表现出更广泛的机制,包括螺旋位错滑移和高密度的非螺旋位错滑移,伴随着扭结带的形成和高阶滑移面的激活,这些共同促成了它在体心立方RCCAs中具有最高的延展性。复杂合金中原子尺寸的不匹配增强了位错的迁移率,而元素的随机分布促进了边缘段的形成,进一步提高了塑性。这些发现强调了微观结构特征在定制室温应用的rcca变形行为中的关键作用。
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引用次数: 0
Revealing and mitigating the microcrack-sensitive fatigue behavior of laser powder bed fusion fabricated medium-entropy nanocomposites 揭示和减轻激光粉末床熔合制备中熵纳米复合材料微裂纹敏感疲劳行为
IF 12.8 1区 材料科学 Q1 ENGINEERING, MECHANICAL Pub Date : 2025-12-28 DOI: 10.1016/j.ijplas.2025.104603
Yufei Chen , Tiwen Lu , Xiyu Chen , Xiaoqi Hu , Ning Yao , Xiaofeng Yang , Haitao Lu , Kaishang Li , Binhan Sun , Yunjie Bi , Xian-Cheng Zhang , Shan-Tung Tu
Additive manufacturing (AM) provides a novel avenue for the fabrication of metal matrix nanocomposites with a uniform distribution of reinforcements and excellent static mechanical properties, while few studies have been conducted on their fatigue behavior. In this study, TiCnp/(CoCrNi)94Al3Ti3 nanocomposites were fabricated using powder bed fusion (PBF), with another representative AM processes-directed energy deposition (DED) as a reference for comparison. In the case of similar low-density defects, though PBF-sample had finer microstructure and higher tensile strength than DED-sample, its fatigue endurance limit (350 MPa) was markedly lower than that of the DED sample (550 MPa). Further investigation revealed that the fatigue initiation sources for DED-samples were pores, while fatigue failure of PBF-samples were mainly initiated from manufactured microcracks. Though the average volume of pores in DED (1.9 × 105 μm3) was significantly larger than microcracks in PBF (1.6 × 104 μm3), the latter posed a more serious threat to fatigue performance. Microcracks were associated with Ti segregation at grain boundaries (GBs) and strong solidification shrinkage, both induced by higher solidification rate of PBF. Finally, two methods were applied to reduce the risk of GB cracking in nanocomposites by adjusting the alloy composition. As a result, segregation at GBs in PBF-fabricated nanocomposites was mitigated, reducing the microcrack density and significantly improving the fatigue resistance. The work reveals the origin of microcrack susceptivity in PBF and offers a microstructural strategy for designing high-strength and fatigue-resistant nanocomposites.
增材制造技术为制备增强材料分布均匀且具有优异静态力学性能的金属基纳米复合材料提供了一条新的途径,但对其疲劳性能的研究却很少。本研究采用粉末床熔合(PBF)法制备了TiCnp/(CoCrNi)94Al3Ti3纳米复合材料,并与另一种具有代表性的增材制造工艺——定向能沉积(DED)工艺进行了对比。在相似的低密度缺陷情况下,pbf样品的微观结构更细,抗拉强度也比DED样品高,但其疲劳极限(350 MPa)明显低于DED样品(550 MPa)。进一步研究发现,d型试样的疲劳起裂源为孔隙,而pbf型试样的疲劳破坏主要由人造微裂纹引起。虽然DED中孔隙的平均体积(1.9 × 105 μm3)明显大于PBF中的微裂纹(1.6 × 104 μm3),但后者对疲劳性能的威胁更大。微裂纹与晶界Ti偏析(GBs)和强凝固收缩率有关,这都是由PBF的高凝固速率引起的。最后,采用两种方法通过调整合金成分来降低纳米复合材料中GB裂纹的风险。结果表明,pbf制备的纳米复合材料在GBs处的偏析得到了缓解,降低了微裂纹密度,显著提高了抗疲劳性能。该研究揭示了PBF微裂纹敏感性的起源,为设计高强耐疲劳纳米复合材料提供了微观结构策略。
{"title":"Revealing and mitigating the microcrack-sensitive fatigue behavior of laser powder bed fusion fabricated medium-entropy nanocomposites","authors":"Yufei Chen ,&nbsp;Tiwen Lu ,&nbsp;Xiyu Chen ,&nbsp;Xiaoqi Hu ,&nbsp;Ning Yao ,&nbsp;Xiaofeng Yang ,&nbsp;Haitao Lu ,&nbsp;Kaishang Li ,&nbsp;Binhan Sun ,&nbsp;Yunjie Bi ,&nbsp;Xian-Cheng Zhang ,&nbsp;Shan-Tung Tu","doi":"10.1016/j.ijplas.2025.104603","DOIUrl":"10.1016/j.ijplas.2025.104603","url":null,"abstract":"<div><div>Additive manufacturing (AM) provides a novel avenue for the fabrication of metal matrix nanocomposites with a uniform distribution of reinforcements and excellent static mechanical properties, while few studies have been conducted on their fatigue behavior. In this study, TiC<sub>np</sub>/(CoCrNi)<sub>94</sub>Al<sub>3</sub>Ti<sub>3</sub> nanocomposites were fabricated using powder bed fusion (PBF), with another representative AM processes-directed energy deposition (DED) as a reference for comparison. In the case of similar low-density defects, though PBF-sample had finer microstructure and higher tensile strength than DED-sample, its fatigue endurance limit (350 MPa) was markedly lower than that of the DED sample (550 MPa). Further investigation revealed that the fatigue initiation sources for DED-samples were pores, while fatigue failure of PBF-samples were mainly initiated from manufactured microcracks. Though the average volume of pores in DED (1.9 × 10<sup>5</sup> μm<sup>3</sup>) was significantly larger than microcracks in PBF (1.6 × 10<sup>4</sup> μm<sup>3</sup>), the latter posed a more serious threat to fatigue performance. Microcracks were associated with Ti segregation at grain boundaries (GBs) and strong solidification shrinkage, both induced by higher solidification rate of PBF. Finally, two methods were applied to reduce the risk of GB cracking in nanocomposites by adjusting the alloy composition. As a result, segregation at GBs in PBF-fabricated nanocomposites was mitigated, reducing the microcrack density and significantly improving the fatigue resistance. The work reveals the origin of microcrack susceptivity in PBF and offers a microstructural strategy for designing high-strength and fatigue-resistant nanocomposites.</div></div>","PeriodicalId":340,"journal":{"name":"International Journal of Plasticity","volume":"197 ","pages":"Article 104603"},"PeriodicalIF":12.8,"publicationDate":"2025-12-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145844880","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
Superior fatigue response of CoCrNi-based multi-principal element alloy with Mo addition 添加Mo的cocrni基多主元素合金具有优异的疲劳响应
IF 12.8 1区 材料科学 Q1 ENGINEERING, MECHANICAL Pub Date : 2025-12-28 DOI: 10.1016/j.ijplas.2025.104604
Shubham Sisodia , Akshat Godha , Chethan Konkati , Nikhil Suman , Govind Bajargan , Surendra Kumar Makenini , Ankur Chauhan
Single-phase CoCrNi-based multi-principal element alloys (MPEAs) are recognized for their excellent fatigue damage tolerance. To further enhance their performance, a small amount of Mo was introduced into the CoCrNi system, resulting in the Co35.4Cr22.9Ni35.5Mo6.2 (commercially known as MP35N). This study investigates its tensile and low-cycle fatigue behavior at room temperature. The alloy, with an average grain size of ∼67 µm, exhibits a yield strength of 303 ± 8 MPa, an ultimate tensile strength of 800 ± 7 MPa, and a total-elongation-to-failure of 75 ± 3%. Its pronounced work-hardening and high ductility arise from its low stacking fault energy (SFE), which enables the concurrent activation of planar slip and deformation twinning. Under cyclic loading, the alloy shows pronounced initial cyclic hardening, followed by strain amplitude-dependent responses. Away from fatigue cracks, deformation is governed by planar slip of extended dislocations, whose multiplication and interactions generate sessile stacking-fault nodes and Lomer–Cottrell locks, driving cyclic hardening. At low strain amplitudes (±0.3% and ±0.5%), dislocations remain homogeneously distributed within the grains, with no twinning away from the fatigue cracks. In contrast, at higher strain amplitude (±0.7%), dislocation density increases, accompanied by a growing tendency to rearrange into low-energy structures and localized deformation twinning, as the cyclic peak stresses exceed the critical twinning stress. Surface relief-assisted fatigue cracks predominantly initiate parallel to coherent annealing twin boundaries (ATBs), with fewer occurrences across ATBs, or along/across grain boundaries. This behaviour is governed by slip compatibility and transfer metrics, evaluated through the Taylor factor, elastic stiffness contrast, ATB–loading-axis orientation, Schmid factor, and the Luster–Morris parameter. Near fatigue cracks, high local stresses activate deformation twinning at all strain amplitudes, which is intersected and sheared by shear bands. Twinning contributes to strengthening, while shear bands nucleate within pre-twinned regions, leading to twin bending, necking, detwinning, and the formation of nano-subgrains, which facilitate localized softening. Compared to other CoCrNi-based MPEAs, this Mo-alloyed variant achieves higher peak stresses and comparable or improved fatigue life. These enhancements stem from Mo-induced strengthening and the alloy’s low SFE, which promotes reversible planar slip, suppresses dislocation rearrangement into low-energy structures such as walls, veins, and cells, and amplifies twinning and shear banding near cracks. Collectively, these mechanisms define the overall cyclic stress response, accommodate localised plastic strain, generate tortuous crack paths, and slow crack growth, thereby conferring fatigue resistance that approaches that of dual-phase MPEAs.
单相cocrni基多主元素合金(mpea)因其优异的疲劳损伤容限性而得到认可。为了进一步提高其性能,在CoCrNi体系中加入少量Mo,得到Co35.4Cr22.9Ni35.5Mo6.2(商业上称为MP35N)。研究了其室温下的拉伸和低周疲劳性能。该合金的平均晶粒尺寸为~ 67µm,屈服强度为303±8 MPa,极限抗拉强度为800±7 MPa,总延伸率为75±3%。其较低的层错能(SFE)使其具有明显的加工硬化和高塑性,使其能够同时激活平面滑移和变形孪晶。在循环加载下,合金表现出明显的初始循环硬化,随后出现应变幅值相关响应。在疲劳裂纹之外,变形受扩展位错的平面滑移控制,扩展位错的增殖和相互作用产生了坚固的堆叠断层节点和lomo - cottrell锁,驱动循环硬化。在低应变幅值(±0.3%和±0.5%)下,位错在晶粒内保持均匀分布,在疲劳裂纹外没有孪生。在较高应变幅值(±0.7%)下,当循环峰值应力超过临界孪晶应力时,位错密度增大,并伴有低能结构重排和局部变形孪晶的趋势。表面缓移辅助疲劳裂纹主要是平行于共格退火孪晶界(ATBs)开始的,很少发生在ATBs上或沿/跨晶界。这种行为由滑移相容性和传递指标决定,通过Taylor因子、弹性刚度对比、atb加载轴方向、Schmid因子和Luster-Morris参数进行评估。在疲劳裂纹附近,高局部应力在所有应变幅值处激活变形孪晶,并被剪切带相交和剪切。孪晶有助于强化,而剪切带在预孪晶区域内成核,导致孪晶弯曲、颈缩、去孪晶和纳米亚晶粒的形成,从而促进局部软化。与其他基于cocrni的mpea相比,这种mo合金的变体具有更高的峰值应力和相当或更高的疲劳寿命。这些增强源于mo诱导强化和合金的低SFE,这促进了可逆的平面滑移,抑制了位错在低能量结构(如壁、脉和细胞)中的重排,并放大了裂纹附近的孪晶和剪切带。总的来说,这些机制定义了整体的循环应力响应,适应局部塑性应变,产生弯曲的裂纹路径和缓慢的裂纹扩展,从而赋予了接近双相mpea的疲劳抗力。
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引用次数: 0
Enhancing the strength and plasticity of laminated aluminum alloy by introducing micron-scale pure aluminum interlayers 引入微米级纯铝夹层,提高层合铝合金的强度和塑性
IF 12.8 1区 材料科学 Q1 ENGINEERING, MECHANICAL Pub Date : 2025-12-26 DOI: 10.1016/j.ijplas.2025.104601
Yufeng Song , Lijie Wang , Yuqiang Chen , Wenhui Liu , Ziyi Teng , Qiang Hu , Mingwang Fu
Laminated aluminum alloys (LAAs) are recognized as pivotal materials in aerospace and automotive structures, due to their low density and high specific strength. However, there is an inverse relationship between the strength and plasticity of these alloys, which restricts their further applications in a low-carbon economy. This study proposes the design of micron-scale pure Al interlayers between AA2024/AA7075 layers to inversely strengthen the LAAs by achieving collaborative deformation through interlayer stress gradients and dislocation path modulation, enabling simultaneous enhancement of strength and plasticity. Notably, the micron-layered Al composite (MLAC) exhibits an ultimate tensile strength of 503.4 MPa and elongation of 13.3 %, which are 18.6 % and 29.1 % higher than those of the traditional layered composites (TLACs), significantly surpassing the limitation of the mechanical properties of laminated materials obeying the rule of mixtures (ROM). The underlying strengthening–ductilizing mechanisms are unveiled by in-situ electron backscatter diffraction (EBSD), digital image correlation (DIC), crystal plasticity (CP), and molecular dynamics (MD) based simulations. Results reveal that the strength mismatch between the pure Al layer and the Al alloy layers induces progressive accumulation of soft-layer stress gradient, forming an interfacial stress-affected zone (ISAZs). These zones trigger intricate dislocation-grain interactions and evolve into networked strain bands through the coordinated activation of slip systems. By redistributing local stress fields, these strain bands promote plastic flow as the dominant stress dissipation pathway, dynamically balance interfacial stress concentrations, and induce subcritical microcrack formation, thereby suppressing the tendency for catastrophic brittle fractures. Consequently, these findings establish heterostructure-enabled interlayer design as an effective pathway to achieve strength–ductility synergy in AA2024/AA7075 laminates. The unveiled strengthening–ductilizing mechanism offers a conceptual framework for developing LAAs that transcend conventional mechanical property limitations, obeying ROM.
层合铝合金(LAAs)由于其低密度和高比强度而被公认为航空航天和汽车结构的关键材料。然而,这些合金的强度和塑性之间存在反比关系,这限制了它们在低碳经济中的进一步应用。本研究提出在AA2024/AA7075层之间设计微米尺度的纯Al夹层,通过层间应力梯度和位错路径调制实现LAAs的协同变形,实现强度和塑性的同时增强。值得注意的是,微米层状Al复合材料(MLAC)的极限抗拉强度为503.4 MPa,伸长率为13.3%,分别比传统层状复合材料(TLACs)高18.6%和29.1%,显著超越了层状材料服从混合规则(ROM)的力学性能限制。通过原位电子背散射衍射(EBSD)、数字图像相关(DIC)、晶体塑性(CP)和基于分子动力学(MD)的模拟揭示了潜在的增强-延展性机制。结果表明:纯铝层与铝合金层之间的强度失配导致软层应力梯度逐渐累积,形成界面应力影响区(ISAZs);这些区域触发复杂的位错-晶粒相互作用,并通过滑移系统的协同激活演变成网络应变带。这些应变带通过重新分布局部应力场,促进塑性流动作为主要的应力耗散途径,动态平衡界面应力集中,诱导亚临界微裂纹的形成,从而抑制突变脆性断裂的趋势。因此,这些发现证明了异质结构层间设计是实现AA2024/AA7075层压板强度-延性协同的有效途径。揭示的强化-延展性机制为开发超越常规力学性能限制、服从ROM的LAAs提供了一个概念框架。
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引用次数: 0
Revealing fracture-resistant design principles in harmonic-structured high-entropy alloys using quasi in situ experiments and integrated modeling 利用准原位实验和综合建模揭示谐波高熵合金的抗断裂设计原理
IF 12.8 1区 材料科学 Q1 ENGINEERING, MECHANICAL Pub Date : 2025-12-25 DOI: 10.1016/j.ijplas.2025.104600
Ruo-Fei Yuan , Yong Zhang , Yu Zhang , Bo Dong , Yong-Ji Wang , Zhe Zhang , Tang Gu , Yun-Fei Jia , Fu-Zhen Xuan
Harmonic-structured (HS) metallic materials have garnered significant interest owing to their exceptional strength–ductility synergy, yet grain-scale fracture mechanisms remain poorly elucidated, impeding the formulation of predictive strategies for strength–toughness balancing. To address this gap, we fabricated HS CoCrFeMnNi high-entropy alloys with tailored fine-grain (FG) shell fractions. Quasi-in situ tensile experiments monitored via electron backscatter diffraction (EBSD) and crystal plasticity finite element/cohesive zone modeling (CPFEM–CZM) reveal that FG regions exhibit high crack susceptibility due to pronounced strain gradients—particularly at coarse-grain (CG)/FG interfaces and within fine-grained zones—that evolve with strain and intensify stress concentration through deformation incompatibility, thereby promoting preferential crack nucleation and propagation. Conversely, CG regions enable sustained plastic energy dissipation via superior intrinsic deformability. Cracks nucleate and propagate preferentially within FG zones, while CG domains dissipate energy via plasticity and microcracking, diverting energy from primary crack growth. As cracks propagate into CG regions, they activate multiple slip systems, generating strain gradients that increase geometrically necessary dislocation density near crack tips. This elevates back stress, inducing crack blunting and enhancing fracture tolerance. Crucially, an optimal FG fraction (31.4%) prevents premature crack nucleation in FG regions while maintaining strength unattainable in low-FG HS variants, thereby preserving material continuity. This dual-phase synergy ensures superior fracture resistance and strength-toughness balance in HS alloys. Our work elucidates intrinsic fracture resistance mechanisms of HS microstructures and quantifies the effects of FG fraction on damage tolerance, establishing essential microstructural design criteria for advanced metallic materials.
谐波结构(HS)金属材料由于其特殊的强度-延性协同作用而引起了极大的兴趣,但晶粒尺度的断裂机制仍然很不清楚,阻碍了强度-韧性平衡预测策略的制定。为了解决这一空白,我们制造了具有定制细粒(FG)壳分数的HS CoCrFeMnNi高熵合金。通过电子背散射衍射(EBSD)和晶体塑性有限元/内聚区模拟(CPFEM-CZM)监测的准原位拉伸实验表明,由于明显的应变梯度(特别是在粗晶/粗晶界面和细晶区域)随应变演化并通过变形不相容加剧应力集中,从而促进优先裂纹形核和扩展,FG区域表现出高的裂纹敏感性。相反,CG区域通过优越的内在可变形性使持续的塑性能量耗散。裂纹优先在FG区域内形核和扩展,而CG区域通过塑性和微裂纹耗散能量,转移了原始裂纹扩展的能量。当裂纹扩展到CG区域时,它们会激活多个滑移系统,产生应变梯度,从而增加裂纹尖端附近几何上必要的位错密度。这提高了背应力,诱发裂纹钝化,提高了断裂容忍度。最重要的是,最佳FG分数(31.4%)可以防止FG区域过早裂纹成核,同时保持低FG HS变体无法达到的强度,从而保持材料的连续性。这种双相协同作用确保了HS合金优异的抗断裂性和强度-韧性平衡。我们的工作阐明了HS微结构的内在抗断裂机制,量化了FG组分对损伤容限的影响,为先进金属材料建立了基本的微结构设计标准。
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引用次数: 0
A multi-scale modeling of complex thermomechanical loading paths in high-temperature shape memory alloys using a crystal-plasticity framework 基于晶体塑性框架的高温形状记忆合金复杂热机械加载路径多尺度建模
IF 12.8 1区 材料科学 Q1 ENGINEERING, MECHANICAL Pub Date : 2025-12-24 DOI: 10.1016/j.ijplas.2025.104598
Adrien R. Cassagne , Dimitris C. Lagoudas , Jean-Briac le Graverend
A crystal-plasticity approach with a mean-field framework using a self-consistent approach was developed for complex thermo-mechanical loading in high-temperature shape memory alloys (HTSMAs). More specifically, an implicit scale transition rule called β-transition rule was employed. A grain-size-dependent martensitic transformation activation criterion was implemented to offer a smooth transformation hardening behavior as well as a saturating transformation strain magnitude function of the local von Mises stress. Two complex loadings were considered: out-of-phase (OP), consisting of a simultaneous increase of stress and decrease of temperature, and in-phase (IP), consisting of a simultaneous increase of stress and temperature. The material parameters were calibrated using isobaric experiments at different stress levels. This calibration was then used to model complex loading paths to evaluate the relevance of using isobaric parameters for the description of complex paths. Computational results are evaluated based on their capability to reproduce the transformation, actuation, and residual strains experimentally observed for the different loading paths considered. Results show a robustness to predict different loading paths using a set of isobaric calibrated parameters. In-phase paths are described on a purely qualitative basis due to the lack of quantitative experimental data. The model developed can capture the first cycle response shape explained by an initial loading in the self-accommodated martensitic state.
采用自洽方法建立了一种具有平均场框架的晶体塑性方法,用于高温形状记忆合金(htsma)的复杂热机械加载。具体来说,采用了一种隐式尺度转换规则β-转换规则。采用晶粒尺寸相关的马氏体相变激活准则来提供光滑相变硬化行为以及局部von Mises应力的饱和相变应变大小函数。考虑了两种复杂载荷:由应力同时增加和温度同时降低组成的非相载荷(OP)和由应力和温度同时增加组成的同相载荷(IP)。采用等压实验对不同应力水平下的材料参数进行了标定。然后使用该校准对复杂加载路径进行建模,以评估使用等压参数描述复杂路径的相关性。计算结果是基于他们的能力,以再现转化,驱动和残余应变实验观察不同的加载路径所考虑的评估。结果表明,使用一组等压校准参数预测不同加载路径具有鲁棒性。由于缺乏定量的实验数据,在纯定性的基础上描述同相路径。所开发的模型可以捕获由自适应马氏体状态的初始载荷解释的第一周期响应形状。
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引用次数: 0
U-PolyConformer: Spatiotemporal machine learning for microstructure engineering U-PolyConformer:用于微观结构工程的时空机器学习
IF 12.8 1区 材料科学 Q1 ENGINEERING, MECHANICAL Pub Date : 2025-12-23 DOI: 10.1016/j.ijplas.2025.104597
Dylan Budnick , Benhour Amirian , Abhijit Brahme , Haitham El-Kadiri , Kaan Inal
Accelerating the prediction of mechanical behaviour in heterogenous materials is critical for large-scale microstructure optimization and realizing functionally optimized materials. While existing machine learning approaches have demonstrated an ability to accelerate predictions for the full-field mechanical response of a wide range of heterogenous microstructures, they have been largely limited to monotonic loading conditions. This paper introduces U-PolyConformer, a spatiotemporal machine learning framework that combines U-Net convolutional neural networks with transformer layers, capable of capturing the full-field stress and strain evolution under monotonic and random walk loading conditions. Trained on a large dataset of crystal plasticity finite element method (CPFEM) simulations with FCC polycrystals, the model accurately captures complex phenomena, including strain localization and stress unloading. The U-PolyConformer achieves a 7,900x speed-up over the ground-truth CPFEM simulations while producing high-fidelity results in both interpolative and extrapolative regimes. Comprehensive evaluations demonstrate the U-PolyConformer’s capacity to generalize outside the training distribution to novel microstructures, loading conditions, and strain hardening behaviours. To highlight the model’s potential as a surrogate for accelerating computational materials engineering workflows, a microstructure optimization framework based on static recrystallization is introduced and used to delay the onset of localization. This framework is successfully used to identify the grains which initiate the onset of localization, illustrating how the proposed model and optimization framework may be used for identifying and exploring property-performance relationships.
加速对异质材料力学行为的预测是实现材料大规模微结构优化和功能优化的关键。虽然现有的机器学习方法已经证明了加速预测各种异质微结构的全场力学响应的能力,但它们在很大程度上仅限于单调加载条件。本文介绍了U-PolyConformer,一个将U-Net卷积神经网络与变压器层相结合的时空机器学习框架,能够捕捉单调和随机游走加载条件下的全场应力和应变演变。该模型在FCC多晶塑性有限元(CPFEM)模拟的大型数据集上进行了训练,能够准确捕捉到应变局部化和应力卸载等复杂现象。U-PolyConformer实现了7900倍的加速,同时在内插和外推机制下产生高保真结果。综合评估表明,U-PolyConformer能够将训练分布之外的材料推广到新的微观结构、加载条件和应变硬化行为。为了突出该模型作为加速计算材料工程工作流程的替代品的潜力,引入了基于静态再结晶的微观结构优化框架,并用于延迟局部化的开始。该框架成功地用于识别引发定位开始的颗粒,说明了所提出的模型和优化框架如何用于识别和探索属性-性能关系。
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引用次数: 0
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International Journal of Plasticity
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