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Unveiling the orientation sensitivity of creep life in near [001] oriented Ni-based single crystal superalloys at intermediate temperatures 揭示近 [001] 取向镍基单晶超合金在中温条件下蠕变寿命的取向敏感性
IF 9.8 1区 材料科学 Q1 Engineering Pub Date : 2024-06-13 DOI: 10.1016/j.ijplas.2024.104035
Pengfei Qu, Wenchao Yang, Qiang Wang, Chen Liu, Jiarun Qin, Jun Zhang, Lin Liu

Although blades with a deviation angle of less than 15° between the blade stacking axis and the [001] orientation are qualified in the industry, the creep life of samples near [001] orientation exhibits significant anisotropy at intermediate temperatures. Those crystals having orientations within 15° from precise [001] exhibited significantly longer lives when their orientations were closer to the [001]-[101] boundary of the stereographic triangle than to the [001]-[111] boundary. Here, we first investigated the orientation rotation path of specimens near [001] orientation during creep at 750 °C/750 MPa, then revealed the dominant slip systems at different creep stages. Subsequently, we evaluated the effect of orientation deviation from precise [001] on creep properties. Finally, our research revealed the orientation sensitive mechanism of creep life in near [001] oriented Ni-based single crystal superalloys at intermediates.

虽然叶片堆叠轴线与[001]取向之间的偏差角度小于 15°的叶片在工业上是合格的,但在中间温度下,[001]取向附近样品的蠕变寿命表现出明显的各向异性。取向与精确[001]方向相差 15°以内的晶体,当其取向更接近立体三角形的[001]-[101]边界而非[001]-[111]边界时,其寿命明显更长。在此,我们首先研究了试样在 750 °C/750 MPa 蠕变过程中靠近 [001] 方向的取向旋转路径,然后揭示了不同蠕变阶段的主要滑移系统。随后,我们评估了取向偏离精确[001]对蠕变特性的影响。最后,我们的研究揭示了近[001]取向镍基单晶超合金在中间阶段蠕变寿命的取向敏感机制。
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引用次数: 0
Microstructural causes and mechanisms of crack growth rate transition and fluctuation of additively manufactured titanium alloy 快速成型钛合金裂纹生长速率转变和波动的微观结构原因和机制
IF 9.8 1区 材料科学 Q1 Engineering Pub Date : 2024-06-11 DOI: 10.1016/j.ijplas.2024.104034
Xinyan Wang , Mengyu Cao , Yang Zhao , Jingjing He , Xuefei Guan

Wire and arc additive manufacturing (WAAM) enables rapid near-net-shape fabrications of large-size parts and in-situ remanufacturing in many industry sectors. A comprehensive understanding of the fatigue failure mechanism of WAAM titanium alloys is a prerequisite for their widespread use in critical structural components subject to fatigue load. Here, the fatigue crack growth behavior of WAAM TA15 material is investigated. Fatigue crack growth tests are performed using compact tension specimens sampled from different locations and with different crack orientations of the WAAM TA15 block. The fatigue crack growth rate (FCGR) data exhibit two governing rates separated by a transition stress intensity factor value, ΔKn, and the degrees of fluctuation of the FCGR data in the two regimes are notably different. A piecewise log-linear model is first proposed by incorporating the Heaviside step function and ΔKn into the classical Paris’ model, allowing for the transition ΔKn to be determined by the data. The potential causes of the transition ΔKn are phenomenologically inferred via fractography and surface roughness profiling results. The critical microstructure affecting the value of ΔKn is identified by relating the crack tip cyclic plastic zone size at ΔKn to the sizes of main microstructures. The cause of different degrees of fluctuations in the two regimes separated by ΔKn is inferred by examining the microstructures within the plastic zone. The microstructural mechanisms of the local FCGR reduction and fluctuation are further identified and explained.

线弧增材制造(WAAM)可在许多工业领域实现大尺寸零件的快速近净成形制造和就地再制造。全面了解 WAAM 钛合金的疲劳失效机理是将其广泛用于承受疲劳载荷的关键结构部件的先决条件。本文研究了 WAAM TA15 材料的疲劳裂纹生长行为。疲劳裂纹生长测试使用从 WAAM TA15 块体的不同位置和不同裂纹方向取样的紧凑拉伸试样进行。疲劳裂纹生长速率(FCGR)数据显示出两种支配速率,以过渡应力强度因子值 ΔKn 为分界线,并且 FCGR 数据在两种状态下的波动程度明显不同。通过将 Heaviside 阶跃函数和 ΔKn 纳入经典的帕里斯模型,首先提出了一个片断对数线性模型,允许过渡 ΔKn 由数据决定。过渡 ΔKn 的潜在原因可通过断口分析和表面粗糙度剖面分析结果进行现象推断。通过将 ΔKn 处的裂纹尖端循环塑性区尺寸与主要微观结构尺寸联系起来,确定了影响 ΔKn 值的临界微观结构。通过研究塑性区内的微观结构,可以推断出以 ΔKn 为分界的两种状态下不同波动程度的原因。进一步确定并解释了 FCGR 局部降低和波动的微观结构机制。
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引用次数: 0
A comprehensive analysis of cermet design and thermal cyclic stability via elasto-viscoplastic crystal plasticity modeling 通过弹塑性晶体塑性模型全面分析金属陶瓷设计和热循环稳定性
IF 9.4 1区 材料科学 Q1 ENGINEERING, MECHANICAL Pub Date : 2024-06-09 DOI: 10.1016/j.ijplas.2024.104032
Glenn R. Peterson , Youngung Jeong , Carlos N. Tomé , Michael D. Sangid

Ceramic-metal composites, or cermets, exhibit beneficial properties resulting in their use in many industrial applications. One challenge with cermets is mismatches in the coefficient of thermal expansion (CTE) values between the ceramic and metal phases that lead to residual stresses after processing, plasticity in the metal phase, internal stresses, and instability after thermal cycling. In order to make predictions of these properties to inform the design of cermets, we employ an incremental elasto-viscoplastic, self-consistent formulation to calculate the thermal, elastic, and plastic strains in two-phase polycrystalline cermet materials. This framework is extended to include temperature dependent properties, which are called implicitly within the temperature-dependent, incremental elasto-viscoplastic, self-consistent (TE-VPSC) model. Temperature-induced cooling and thermal cycling simulations are conducted using the TE-VPSC framework to study the residual stresses and plastic strains in the metal phases. Two materials are discussed in detail exhibiting stark differences based on the CTE between their ceramic and metal phases, WC/57-vol% Cu (exhibiting a pronounced CTE mismatch) and Y2O3/27-vol% Nb (exhibiting a negligible CTE mismatch). The model demonstrates high residual stresses in the Cu phase during processing and reverse plasticity leading to recovery of plastic strain during thermal cycling of the WC/Cu cermet. Moreover, the model demonstrates relatively low residual stresses and plasticity in Y2O3/Nb and a thermal stability point of 1251 °C, below which no plasticity develops in the cermet. We employ the TE-VPSC model as a design tool for cermets to systematically investigate the effects of process-induced microstructure variations (volume fraction, grain aspect ratio, and crystallographic texture are investigated) and compositional differences (19 compositions are explored) on the residual stress, degree of plasticity in the metal phase, and thermal stability point. The computational efficiency of the TE-VPSC framework makes it a desktop design tool that can be used to quantify the impact of changing composition, processing, and thermo-mechanical loading on the performance of the cermet, which can help reduce the number of time intensive and costly high temperature experiments.

陶瓷-金属复合材料(或称金属陶瓷)具有多种有益特性,因此被广泛应用于工业领域。陶瓷金属复合材料面临的一个挑战是陶瓷和金属相之间的热膨胀系数(CTE)值不匹配,这会导致加工后的残余应力、金属相的塑性、内应力以及热循环后的不稳定性。为了预测这些特性,为金属陶瓷的设计提供依据,我们采用了增量弹塑性-粘塑性自洽公式来计算两相多晶金属陶瓷材料中的热应变、弹性应变和塑性应变。这一框架被扩展到包括与温度相关的特性,这些特性在与温度相关的增量弹塑性自洽(TE-VPSC)模型中被隐式调用。利用 TE-VPSC 框架进行了温度诱导冷却和热循环模拟,以研究金属相中的残余应力和塑性应变。详细讨论了两种材料,即 WC/57-vol% Cu(表现出明显的 CTE 失配)和 Y2O3/27-vol% Nb(表现出可忽略的 CTE 失配),这两种材料在陶瓷相和金属相之间的 CTE 上存在明显差异。该模型显示了加工过程中铜相中的高残余应力,以及在 WC/Cu 金属陶瓷的热循环过程中导致塑性应变恢复的反向塑性。此外,该模型还表明 Y2O3/Nb 的残余应力和塑性相对较低,热稳定点为 1251 °C,低于该点,金属陶瓷不会产生塑性。我们采用 TE-VPSC 模型作为金属陶瓷的设计工具,系统地研究了工艺引起的微观结构变化(研究了体积分数、晶粒长宽比和结晶纹理)和成分差异(研究了 19 种成分)对残余应力、金属相塑性程度和热稳定点的影响。TE-VPSC 框架的计算效率使其成为一种桌面设计工具,可用于量化改变成分、加工和热机械负载对金属陶瓷性能的影响,这有助于减少时间密集、成本高昂的高温实验次数。
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引用次数: 0
A predictive mesoscale model for continuous dynamic recrystallization 连续动态再结晶的中尺度预测模型
IF 9.8 1区 材料科学 Q1 Engineering Pub Date : 2024-06-08 DOI: 10.1016/j.ijplas.2024.104022
Franz Miller Branco Ferraz , Ricardo Henrique Buzolin , Stefan Ebenbauer , Thomas Leitner , Alfred Krumphals , Maria Cecilia Poletti

Thermomechanical processing of titanium alloys often requires complex routes to achieve the desired final microstructure. Recent advances in modeling and simulation tools have facilitated the optimization of these processing routes. However, existing models often fail to accurately predict microstructural changes at large deformations. In this study, we refine the physical principles of an existing mean-field model and propose a calibration method that uses experimental results under isothermal conditions, accounting for the actual local deformation within the workpiece. This new approach improves the predictability of microstructural changes due to continuous dynamic recrystallization during torsion and compression experiments. Additionally, we integrate the model into the commercial FEM-based DEFORM™ 2D software to predict the local microstructure evolution within hot torsion specimens thermomechanically treated by resistive heating. Validation using non-isothermal deformation tests demonstrates that the model provides realistic simulations at high strain rates, where adiabatic heat modifies temperature, flow stress and microstructure. This study demonstrates the intrinsic correlation between microstructure, flow behavior, and workpiece geometry, considering the impact of deformation history in thermomechanical processes.

钛合金的热机械加工通常需要复杂的工艺路线,才能获得理想的最终微观结构。建模和模拟工具的最新进展促进了这些加工路线的优化。然而,现有模型往往无法准确预测大变形时的微观结构变化。在本研究中,我们完善了现有平均场模型的物理原理,并提出了一种校准方法,该方法使用等温条件下的实验结果,考虑了工件内部的实际局部变形。这种新方法提高了对扭转和压缩实验中连续动态再结晶引起的微观结构变化的可预测性。此外,我们还将该模型集成到基于有限元的商用 DEFORM™ 2D 软件中,以预测通过电阻加热进行热机械处理的热扭转试样内部的局部微观结构演变。使用非等温变形试验进行的验证表明,该模型可在高应变速率下提供逼真的模拟,在高应变速率下,绝热会改变温度、流动应力和微观结构。考虑到热机械过程中变形历史的影响,这项研究证明了微观结构、流动行为和工件几何形状之间的内在联系。
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引用次数: 0
Monotonic tensile and cyclic deformation of a Ni-based single crystal superalloy with anisotropic microstructural rafting patterns at high temperature: Experiment and constitutive modelling 具有各向异性微结构筏状模式的镍基单晶超合金在高温下的单调拉伸和循环变形:实验和构成模型
IF 9.8 1区 材料科学 Q1 Engineering Pub Date : 2024-06-08 DOI: 10.1016/j.ijplas.2024.104031
Y.S. Fan , L. Tan , X.G. Yang , W.Q. Huang , D.Q. Shi

Monotonic tensile and cyclic deformation behaviours are investigated under different microstructural rafting states of a SC Ni-based superalloy, with emphasis on the influences of the rafting extent, type and loading orientation. The deformed microstructures and the dislocation configurations are characterized to give a micro-based understanding on the varying of deformation behaviours due to rafting. It is found that the decreases in the initial yield point and cyclic stress amplitude are only related to the rafting extent. Nevertheless, the rafting type (namely, the plate-like and needle-like morphology) has an undeniable contribution to the shape of hysteresis loops, where the plate-like rafting morphology results in more significant Bauschinger effect than needle-like rafting morphology. The variation of monotonic and cyclic deformation induced by rafting shares affinity with the alteration of internal stress and the movement of dislocations. Afterwards, a microstructure-sensitive constitutive model with two-phase flow rules has been developed. The effect of rafting on the monotonic and cyclic stress-strain responses is captured by introduce a series of microscopic mechanisms and a micromechanics-based back stress model that considers the morphology and size of the γ'/γ two-phase structures. The developed model is used to simulate the macroscopic stress-strain responses of the SC Ni-based superalloy under different rafting states. Model predictions are in good agreement with tests, capturing the reduction of cyclic stress amplitudes and the change in hysteresis loops. Finally, the impacts of the two-phase flow rules and the micromechanics-based back stress on the simulation capability have been discussed.

研究了一种 SC Ni 基超合金在不同微结构筏化状态下的单调拉伸和循环变形行为,重点是筏化程度、类型和加载方向的影响。对变形的微观结构和位错配置进行了表征,以便从微观上了解筏化导致的变形行为变化。研究发现,初始屈服点和循环应力振幅的降低仅与筏变程度有关。然而,不可否认的是,筏形类型(即板状和针状形态)对滞后环的形状有影响,其中板状筏形形态比针状筏形形态产生更显著的鲍辛格效应。筏状变形引起的单调变形和周期变形的变化与内应力的改变和位错的移动密切相关。随后,我们建立了一个具有两相流动规则的微结构敏感构造模型。通过引入一系列微观机制和基于微观力学的背应力模型(考虑了 γ'/γ 两相结构的形态和尺寸),捕捉到了漂移对单调和循环应力应变响应的影响。所建立的模型用于模拟 SC Ni 基超级合金在不同筏化状态下的宏观应力-应变响应。模型预测结果与试验结果十分吻合,捕捉到了循环应力振幅的减小和滞后环的变化。最后,讨论了两相流动规则和基于微观力学的背应力对模拟能力的影响。
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引用次数: 0
A temporal graph neural network for cross-scale modelling of polycrystals considering microstructure interaction 考虑微观结构相互作用的多晶体跨尺度建模时序图神经网络
IF 9.8 1区 材料科学 Q1 Engineering Pub Date : 2024-06-07 DOI: 10.1016/j.ijplas.2024.104017
Yuanzhe Hu , Guowei Zhou , Myoung-Gyu Lee , Peidong Wu , Dayong Li

Machine learning (ML) based methods have achieved preliminary success in the constitutive modeling for single crystals or homogenized polycrystals with remarkable computational efficiency. However, existing ML-based constitutive models neglect grain-level anisotropy, which limits the accurate analysis of local effects. In the current work, a temporal graph neural network (TGNN) model is proposed to simulate cross-scale deformation behaviors of polycrystals under complex loading conditions, with straightforward consideration of microstructure variation and local interaction. The TGNN-based model, a variant of Linearized Minimal State Cells (LMSCs), extends its scope from macroscopic stress response to the mechanical response and orientation evolution of all grains within the aggregate. Specifically, the polycrystalline microstructure is represented with a graph to incorporate essential features of grains, including the spatial connectivity, crystallographic orientation and deformation state. Graph neural network (GNN) is used to capture the spatial correlation of grains, and the features extracted by the GNN are further processed with LMSCs to account for the history-dependent deformation and microstructure evolution. Moreover, the representative volume element (RVE) simulation with crystal plasticity is performed to provide reliable datasets for model establishment. The proposed model demonstrates high efficiency, accuracy and self-consistency in predicting the strain-stress response and orientation evolution at the scale of both individual grain and the overall aggregate under complex loading cases, such as cyclic loading and arbitrary loading.

基于机器学习(ML)的方法在单晶体或均匀化多晶体的构造模型中取得了初步成功,并具有显著的计算效率。然而,现有的基于 ML 的构造模型忽略了晶粒级各向异性,从而限制了对局部效应的精确分析。本研究提出了一种时序图神经网络(TGNN)模型,用于模拟多晶体在复杂加载条件下的跨尺度变形行为,并直接考虑了微观结构变化和局部相互作用。基于 TGNN 的模型是线性化极小状态单元(LMSCs)的一个变体,其范围从宏观应力响应扩展到集合体内所有晶粒的机械响应和取向演变。具体来说,多晶微观结构用图形来表示,以纳入晶粒的基本特征,包括空间连通性、晶体学取向和变形状态。图神经网络(GNN)用于捕捉晶粒的空间相关性,由 GNN 提取的特征通过 LMSCs 进一步处理,以解释随历史变化的变形和微结构演变。此外,还进行了具有晶体塑性的代表性体积元素(RVE)模拟,为模型的建立提供了可靠的数据集。在循环加载和任意加载等复杂加载情况下,所提出的模型在预测单个晶粒和整体骨料尺度上的应变应力响应和取向演变方面表现出高效、准确和自洽性。
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引用次数: 0
Onset of dynamic void coalescence in porous ductile solids 多孔韧性固体中动态空隙凝聚的开始
IF 9.8 1区 材料科学 Q1 Engineering Pub Date : 2024-06-07 DOI: 10.1016/j.ijplas.2024.104019
Z.G. Liu, W.H. Wong, T.F. Guo

This paper investigates void growth and coalescence in porous ductile solids under dynamic loading condition. A physical definition for the onset of void coalescence in porous ductile solids under dynamic loading is proposed. The onset is deemed to occur when the third invariant of the tensorial form of the Hill–Mandel condition attains a zero value. The definition allows for systematic investigations on the effects of dimensionless stress rate κ and stress state, defined by the stress triaxiality T and Lode parameter L, on the onset of void coalescence via micromechanical analyses. The analyses reveal that the critical macroscopic effective strain for the onset of void coalescence displays an increasing–decreasing transition trend as the dimensionless stress rate increases, for all levels of T and L considered. The macroscopic effective strain at the transition is identified as the “ductile–brittle” transition strain. The dimensionless stress rate at which the transition strain occurs is found to be relatively constant. A mapping in the κT space for L=1, representative of a generalized uniaxial tension typical in spall fracture experiments, is established which depicts regions where coalescence and non-coalescence can take place, as well as the ductile–brittle regions demarcated by a ductile–brittle transition curve. The results also show that the critical void volume fraction and macroscopic effective strain at the onset of void coalescence are insensitive to inertia at high stress triaxialities at L=1.

本文研究了动态加载条件下多孔韧性固体中的空隙增长和凝聚。本文提出了动态加载条件下多孔韧性固体中空隙凝聚开始的物理定义。当希尔-曼德尔(Hill-Mandel)条件的张量形式的第三个不变量达到零值时,即认为开始凝聚。根据这一定义,可以通过微观力学分析系统地研究无量纲应力速率 κ 和应力状态(由应力三轴度 T 和洛德参数 L 定义)对空洞凝聚开始的影响。分析表明,在考虑的所有 T 和 L 水平上,随着无量纲应力率的增加,空洞凝聚开始时的临界宏观有效应变呈现出由增到减的过渡趋势。过渡时的宏观有效应变被确定为 "韧性-脆性 "过渡应变。过渡应变发生时的无量纲应力速率相对恒定。建立了 L=-1 的 κ-T 空间映射,代表了典型的剥落断裂实验中的广义单轴拉伸,描绘了可能发生凝聚和非凝聚的区域,以及由延性-脆性过渡曲线划分的延性-脆性区域。结果还表明,在 L=-1 的高应力三轴度条件下,空隙凝聚开始时的临界空隙体积分数和宏观有效应变对惯性不敏感。
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引用次数: 0
Atomistic investigation of the interaction between an edge dislocation and 1/2<111> interstitial dislocation loops in irradiated tungsten 辐照钨中边缘位错与 1/2 间隙位错环之间相互作用的原子学研究
IF 9.8 1区 材料科学 Q1 Engineering Pub Date : 2024-06-07 DOI: 10.1016/j.ijplas.2024.104030
Ping Yu, Guisen Liu, Yao Shen

By impeding dislocation motion, the irradiation-induced dislocation loops cause irradiation hardening and further embrittlement of plasma-facing tungsten in fusion reactors, leading to its performance degradation. But fundamental questions regarding the mechanisms remain to be clarified and predictive model for loop hardening remains to be built. In this paper, interactions between gliding edge dislocations and interstitial dislocation loops (with Burger vector bL = ½<111>) are studied using atomistic simulations. The influences of bL orientations, dislocation-loop intersection positions, loop sizes, and loading conditions (temperature and strain rate) on the interactions are systematically calculated and analyzed. Results show a large variety of interaction mechanisms, depending mainly on the relative orientations of bL to dislocation slip plane, while slightly affected by loading conditions. Although loops with bL parallel to the plane can be easily swept away by gliding dislocations, loops with bL inclined to dislocation slip plane can strongly pin the gliding dislocation by forming a sessile 〈100〉 segment, which would bend the dislocation line into a screw dipole. Thus, high stress is required for the dislocation line to break away from the inclined loops by cross-slip of each individual arm of the screw dipole coupled with glide of the 〈100〉 segment. On the other hand, increasing temperature and/or decreasing strain rate hardly change the above mechanisms, but monotonically reduce the obstruction by these loops. Simplifying the complex motion of the edge dislocation pinned by the inclined loops as a thermally-activated process of a 1/2[111] edge dislocation overcoming barriers, a hardening model for the inclined loops is proposed. This model well describes the dependence of loop strength on loop sizes, temperatures and strain rates. The model is then applied to predict irradiation hardening at experimental strain rates, and it shows reasonable agreement with experimental results.

通过阻碍位错运动,辐照诱发的位错环会导致辐照硬化,进一步脆化聚变反应堆中面向等离子体的钨,从而导致其性能下降。但有关机制的基本问题仍有待澄清,环状硬化的预测模型仍有待建立。本文利用原子模拟研究了滑行边缘位错与间隙位错环(布尔矢量 bL = ½<111>)之间的相互作用。系统地计算和分析了 bL 方向、差排-环交叉位置、环尺寸和加载条件(温度和应变速率)对相互作用的影响。结果表明,相互作用机制多种多样,主要取决于 bL 与差排滑移面的相对方向,同时受加载条件的影响较小。虽然bL平行于位错滑移面的环很容易被滑移位错扫除,但bL倾斜于位错滑移面的环可以通过形成无梗〈100〉段来强力钉住滑移位错,从而使位错线弯曲成螺钉偶极子。因此,位错线需要很高的应力,才能通过螺旋偶极的每个单臂的交叉滑动和〈100〉段的滑行脱离斜环。另一方面,温度的升高和/或应变速率的减小几乎不会改变上述机制,但会单调地减少这些环的阻碍作用。将边缘位错被斜环钉住的复杂运动简化为 1/2[111]边缘位错克服障碍的热激活过程,提出了一个斜环硬化模型。该模型很好地描述了斜环强度与斜环尺寸、温度和应变率的关系。然后将该模型用于预测实验应变速率下的辐照硬化,结果显示与实验结果相当吻合。
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引用次数: 0
Pseudo-twin boundary improves flow stress and cyclic stability of TiAl single crystal 伪双晶边界改善了钛铝单晶的流动应力和循环稳定性
IF 9.8 1区 材料科学 Q1 Engineering Pub Date : 2024-06-05 DOI: 10.1016/j.ijplas.2024.104021
Yiqi Zhu, Min Yi, Wanlin Guo

Polysynthetically twinned (PST) TiAl single crystal with lamellar structures exhibits great mechanical properties at room temperature. Therein twin boundaries (TBs) are important for achieving optimized ductile and fatigue performance of PST TiAl, but their role and the associated mechanism are elusive. Herein, we decipher the role of true TB (TTB) and pseudo TB (PTB) by a combined atomistic simulation and mesoscopic modeling, and find that PTB could remarkably improve room-temperature flow stress and cyclic stability of TiAl single crystal. It is revealed that dislocations pile up at PTB while unobstructedly traverse TTB. The emergency of back stress and the movement of dislocations along PTB contribute to the strengthening mechanism. The flow stress of TiAl single crystal with PTB is 34% higher than that with TTB. It is further found that as the twin thickness decreases, the flow stress of TiAl single crystal with TTB initially increases and then decreases (i.e., inverse Hall–Petch like behavior), whereas that with PTB always increases owing to the extra back stress and interfacial stress (i.e., Hall–Petch like behavior). Atomistic-informed mesoscopic theoretical models are then proposed to describe the flow stress as a function of twin thickness. Under cyclic loading, PTB is found to facilitate strain delocalization of TiAl single crystal during plastic deformation and thus noticeably improve the cyclic stability. These findings should shed light on achieving strong TiAl alloys with enhanced fatigue performance by the introduction and design of PTB.

具有片状结构的多合成孪晶(PST)钛铝单晶在室温下具有很好的机械性能。因此,孪晶边界(TB)对于实现 PST TiAl 的最佳韧性和疲劳性能非常重要,但其作用和相关机制却难以捉摸。在此,我们通过原子模拟和介观建模相结合的方法,解读了真孪晶(TTB)和伪孪晶(PTB)的作用,发现 PTB 能显著改善 TiAl 单晶的室温流动应力和循环稳定性。研究发现,位错在 PTB 处堆积,而在 TTB 处无障碍穿越。背应力的紧急作用和位错沿 PTB 的运动促成了强化机制。带有 PTB 的 TiAl 单晶的流动应力比带有 TTB 的高 34%。研究还发现,随着孪晶厚度的减小,带有 TTB 的 TiAl 单晶的流动应力会先增大后减小(即类似霍尔-佩奇的反向行为),而带有 PTB 的 TiAl 单晶的流动应力则由于额外的背应力和界面应力而始终增大(即类似霍尔-佩奇的行为)。然后,提出了以原子论为基础的介观理论模型,以描述流动应力与孪晶厚度的函数关系。在循环加载下,PTB 可促进 TiAl 单晶在塑性变形过程中的应变分散,从而显著提高循环稳定性。这些发现将有助于通过引入和设计 PTB 来实现具有更强疲劳性能的高强度 TiAl 合金。
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引用次数: 0
Understanding the effect of refractory metal chemistry on the stacking fault energy and mechanical property of Cantor-based multi-principal element alloys 了解难熔金属化学性质对基于康托尔多主元素合金的堆积断层能和机械性能的影响
IF 9.4 1区 材料科学 Q1 ENGINEERING, MECHANICAL Pub Date : 2024-06-04 DOI: 10.1016/j.ijplas.2024.104020
Prashant Singh , William Trehern , Brent Vela , Prince Sharma , Tanner Kirk , Zongrui Pei , Raymundo Arroyave , Michael C. Gao , Duane D. Johnson

Multi-principal-element alloys (MPEAs) based on 3d-transition metals show remarkable mechanical properties. The stacking fault energy (SFE) in face-centered cubic (fcc) alloys is a critical property that controls underlying deformation mechanisms and mechanical response. Here, we present an exhaustive density-functional theory study on refractory- and copper-reinforced Cantor-based systems to ascertain the effects of refractory metal chemistry on SFE. We find that even a small percent change in refractory metal composition significantly changes SFEs, which correlates favorably with features like electronegativity variance, size effect, and heat of fusion. For fcc MPEAs, we also detail the changes in mechanical properties, such as bulk, Young's, and shear moduli, as well as yield strength. A Labusch-type solute-solution-strengthening model was used to evaluate the temperature-dependent yield strength, which, combined with SFE, provides a design guide for high-performance alloys. We also analyzed the electronic structures of two down-selected alloys to reveal the underlying origin of optimal SFE and strength range in refractory-reinforced fcc MPEAs. These new insights on tuning SFEs and modifying composition-structure-property correlation in refractory- and copper-reinforced MPEAs by chemical disorder, provide a chemical route to tune twinning- and transformation-induced plasticity behavior.

基于 3d 过渡金属的多主元素合金 (MPEA) 显示出卓越的机械性能。面心立方(fcc)合金中的堆积断层能(SFE)是控制基本变形机制和机械响应的关键特性。在此,我们对耐火材料和铜强化康托尔基体系进行了详尽的密度泛函理论研究,以确定耐火金属化学性质对 SFE 的影响。我们发现,即使耐火金属成分发生很小的百分比变化,也会显著改变 SFE,这与电负性差异、尺寸效应和熔融热等特征密切相关。对于 fcc MPEA,我们还详细介绍了机械性能的变化,如体积模量、杨氏模量、剪切模量以及屈服强度。我们采用拉布什型溶解-溶解-强化模型来评估随温度变化的屈服强度,结合 SFE,为高性能合金的设计提供了指导。我们还分析了两种下选合金的电子结构,揭示了折射强化 fcc MPEAs 中最佳 SFE 和强度范围的根本原因。这些关于通过化学无序调整 SFE 和改变耐火和铜增强 MPEA 的成分-结构-性能相关性的新见解,为调整孪晶和转变诱导的塑性行为提供了一条化学途径。
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引用次数: 0
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International Journal of Plasticity
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