Materials & Design最新文献_第5页

Carbonated blast-furnace slag as supplementary cementitious material: Phase transition and effect on cement hydration 碳化高炉渣作为补充胶凝材料：相变及对水泥水化的影响

IF 7.9 2区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials & Design

Pub Date : 2025-12-09 DOI: 10.1016/j.matdes.2025.115292

Gao Deng , Nannan Zhang , Wenyu Liao , Yongjia He , Linnu Lu , Lingyu Chi , Hongyan Ma

Blast-furnace slag, which contains high levels of CaO (and MgO), holds potential as a feedstock for CO₂ capture and storage. This study investigates the phase transitions occurring during the wet carbonation of ground granulated blast-furnace slag (GGBFS), characterizes the physical and chemical properties of carbonated GGBFS (CS), evaluates its pozzolanic reactivity, and examines the microstructure and performance of cement pastes blended with GGBFS or CS. The findings reveal that aragonite and calcite, the primary carbonation products, precipitate on the surface of GGBFS, hindering its dissolution and thereby reducing both the pozzolanic reactivity and the early strength of cement pastes. Nevertheless, the 28-day strength of CS blended pastes is comparable to that of GGBFS blends, due to the improved pore structure and the interfacial transition zone between CS and hydration products, which is attributed to the stabilization of ettringite and the formation of monocarboaluminate and hemicarboaluminate phases induced by the calcium carbonate introduced through CS. This characteristic implies extra benefits of using CS against GGBFS apart from CO₂ sequestration, that is, the potential of CS to be used in projects requiring low early-age heat.

高炉炉渣含有高水平的氧化钙（和氧化镁），具有作为二氧化碳捕获和储存原料的潜力。本研究研究了湿碳化过程中粉状高炉渣（GGBFS）的相变，表征了碳化后的GGBFS （CS）的物理和化学性质，评价了其火山灰反应性，并研究了与GGBFS或CS混合的水泥浆的微观结构和性能。结果表明，碳酸盐的主要产物文石和方解石在GGBFS表面沉积，阻碍了GGBFS的溶解，从而降低了火山灰反应性和水泥浆体的早期强度。然而，CS混合膏体的28天强度与GGBFS混合膏体相当，这是由于通过CS引入的碳酸钙稳定了钙矾石，形成了单碳铝酸盐相和半碳铝酸盐相，从而改善了孔隙结构和CS与水化产物之间的界面过渡区。这一特点意味着除了二氧化碳封存外，使用CS对抗GGBFS的额外好处，即CS在需要低早期热量的项目中使用的潜力。

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引用次数: 0

Novel approach to rapid and accurate temperature-dependent mechanical testing using machine learning 使用机器学习实现快速准确的温度相关机械测试的新方法

IF 7.9 2区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials & Design

Pub Date : 2025-12-09 DOI: 10.1016/j.matdes.2025.115307

Akshat Agha, Janet B. Davis, Sergio L. dos Santos e Lucato

Understanding the temperature-dependent mechanical properties of metallic alloys is essential for informed engineering design. However, conventional elevated temperature tensile testing is costly, time-consuming, and inefficient. This paper introduces a novel, rapid, and accurate approach for characterizing these properties using a specially designed test sample − MAPS that works at the intersection of full-field optical strain and thermal measurements, and machine learning (ML). The MAPS sample is engineered to exhibit a controlled temperature gradient across its surface, enabling simultaneous acquisition of strain and thermal data at multiple temperatures in a single test. A finite element twin of the MAPS sample is used to generate synthetic training data based on known alloy properties. A Multi-Layer Perceptron (MLP) model is then trained to infer full-field stress distributions from experimental strain and temperature data, allowing the derivation of stress–strain curves across a range of temperatures for novel alloys. The proposed MAPS methodology was validated against conventional dogbone tensile tests conducted on four diverse materials − AA6061-T6, SS301-H12, SS304 and 15-5PH steel. The approach shows good generalizability across material families, showcasing its potential to revolutionize high-throughput temperature-dependent mechanical testing by enabling faster, more cost-effective material characterization for advanced engineering applications.

了解金属合金的温度相关力学性能对于明智的工程设计至关重要。然而，传统的高温拉伸测试成本高、耗时长、效率低。本文介绍了一种新颖，快速，准确的方法来表征这些特性，使用特殊设计的测试样品- MAPS，在全场光学应变和热测量的交叉处工作，以及机器学习（ML）。MAPS样品被设计成在其表面显示可控的温度梯度，可以在一次测试中同时获取多个温度下的应变和热数据。基于已知的合金性能，使用MAPS样本的有限元孪生体生成合成训练数据。然后训练多层感知器（MLP）模型，从实验应变和温度数据推断出全场应力分布，从而推导出新型合金在一定温度范围内的应力-应变曲线。通过对四种不同材料（AA6061-T6、SS301-H12、SS304和15-5PH钢）进行常规犬骨拉伸试验，验证了所提出的MAPS方法。该方法在材料家族中具有良好的通用性，通过为先进的工程应用提供更快，更具成本效益的材料表征，展示了其革命性的高通量温度相关机械测试的潜力。

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引用次数: 0

Low-carbon, low-hazard synthesis of FAPbBr3 perovskite nanocrystals with KBr post-treatment for ultra-stable pure-green heterostructured luminescent powder 低碳、低危害合成FAPbBr3钙钛矿纳米晶，KBr后处理制备超稳定纯绿色异质发光粉体

IF 7.9 2区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials & Design

Pub Date : 2025-12-09 DOI: 10.1016/j.matdes.2025.115293

Po-Chun Li , Andi Magattang Gafur Muchlis , Chaochin Su , Ling Hsuan Chung , Yan Chung Lai , Yuan-Hong Chen , Jung-An Cheng , Hoang-Duy Nguyen , Si-Han Wu , Chun Che Lin

This study introduces a low-carbon, low-hazard synthesis method by lowering the traditional hot injection temperature to 60 °C and avoiding high-toxicity solvents, thereby reducing energy use and organic waste for more sustainable production. Lead oxide, formamidine acetate, and benzoyl bromide were employed as precursors, followed by post-treatment with KBr salts to enhance environmental stability and enable powderization of the material. The resulting FAPbBr₃@KBr heterostructure shows a sharp photoluminescent peak at 535 nm with a narrow full width at half maximum of ∼20 nm. Stability tests revealed no decrease in photoluminescence intensity for solution samples stored at room temperature or 60 °C after 14 days. Even after heating to 80 °C and cooling, the intensity retained 99 % of its initial value. In summary, this work presents a milder synthesis and post-treatment strategy that significantly improves stability, supporting the future commercialization of perovskite nanocrystals.

本研究介绍了一种低碳、低危害的合成方法，将传统的热注射温度降低到60℃，避免使用高毒性溶剂，从而减少能源消耗和有机废物，实现更可持续的生产。采用氧化铅、醋酸甲脒和苯甲酰溴作为前体，然后用KBr盐进行后处理，以提高环境稳定性并使材料粉末化。所得FAPbBr3@KBr异质结构在535 nm处有一个尖锐的光致发光峰，在半峰处有窄的全宽，约20 nm。稳定性测试表明，溶液样品在室温或60°C保存14天后，光致发光强度没有下降。即使加热到80°C并冷却，强度仍保持其初始值的99%。总之，这项工作提出了一种温和的合成和后处理策略，显着提高了稳定性，支持钙钛矿纳米晶体的未来商业化。

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引用次数: 0

Governing mechanisms of 2.5D/3D preform architectures on the microstructure, mechanical and ablation behaviors of C/C-SiC-ZrC composites 2.5D/3D预制体结构对C/C- sic - zrc复合材料微观结构、力学和烧蚀行为的影响机制

IF 7.9 2区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials & Design

Pub Date : 2025-12-08 DOI: 10.1016/j.matdes.2025.115295

Haitao Liu , Lianyi Wang , Hao Luo , Yi Ru

Preform structural design is a key strategy for achieving performance customization in ceramic matrix composites. This study selected three preforms with typical structural characteristics: 2.5D needle-punched, 2.5D stitched, and 3D orthogonal. The governing mechanisms of their architectural differences on the microstructure and macroscopic properties of C/C-SiC-ZrC composites fabricated by reactive melt infiltration (RMI) were systematically investigated. The results indicate that the straight and continuous fiber bundles in the 3D orthogonal architecture significantly enhance load transfer efficiency, increasing the tensile strength by 97.23 % and 65.66 % compared to the 2.5D needle-punched and stitched architectures, respectively. In contrast, the 2.5D needle-punched architecture promotes uniform distribution and high densification of the ceramic phase, exhibiting the best ablation resistance with linear and mass ablation rates of −1.36 ± 0.057 μm/s and 2.57 ± 0.178 mg/s, respectively. This study provides guidance for the preform design of ceramic matrix composites for extreme environments: the 3D orthogonal structure is suitable for high-load-bearing components, while the 2.5D needle-punched structure is specialized for ablation-resistant parts.

预制体结构设计是实现陶瓷基复合材料性能定制的关键策略。本研究选取了三种具有典型结构特征的预制件：2.5D针刺预制件、2.5D缝合预制件和3D正交预制件。系统研究了结构差异对反应熔体渗透法制备C/C- sic - zrc复合材料微观结构和宏观性能的影响机理。结果表明，与2.5D打针结构和2.5D缝合结构相比，直线型和连续型纤维束在三维正交结构中显著提高了载荷传递效率，拉伸强度分别提高了97.23%和65.66%。相比之下，2.5D针孔结构有利于陶瓷相的均匀分布和高密度化，具有最佳的抗烧蚀性能，线性烧蚀速率为- 1.36±0.057 μm/s，质量烧蚀速率为2.57±0.178 mg/s。该研究为极端环境下陶瓷基复合材料预成形设计提供了指导：三维正交结构适用于高承重部件，而2.5D针刺结构适用于耐烧蚀部件。

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引用次数: 0

Mechanism study on the microstructure and low-temperature toughness of Q355E welded joints with different wire compositions 不同线材成分对Q355E焊接接头显微组织及低温韧性的影响机理研究

IF 7.9 2区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials & Design

Pub Date : 2025-12-08 DOI: 10.1016/j.matdes.2025.115297

Qian Li , Youping Sun , Rong Ma , Bo Lin , Kaifei Zhang , Chenglong Liu

The widespread application of construction machinery and equipment in the extremely cold mining market has led to an increasing demand for material impact resistance. This article investigates the effects of different welding wires on the microstructure and low-temperature impact performance of welded joints. These welded parts are widely used in the production of component materials for engineering machinery equipment operating in extremely cold markets, with the aim of obtaining materials with higher low-temperature impact toughness and mechanical properties. Microstructure analysis is conducted through electron backscatter diffraction experiments. The findings demonstrate that variations exist in the mechanical properties of distinct welded joints, arising from the combined effects of fine grain strengthening and dislocation strengthening mechanisms. Through the simulation of molten pool solidification, it was observed that different alloying elements exert a notable influence on the crystalline phase transformation during the solidification process. This gives rise to substantial discrepancies in grain size, high-angle grain boundaries, and dislocation density. These results suggest that titanium contributes to facilitating the nucleation of acicular ferrite, which leads to fracture that an energy-intensive form as the primary mode of impact fracture. This effect effectively suppresses crack propagation and enhances the low-temperature impact toughness of the welded joints.

工程机械设备在极寒矿山市场的广泛应用，导致对材料抗冲击性的要求越来越高。研究了不同焊丝对焊接接头显微组织和低温冲击性能的影响。这些焊接件广泛用于生产在极冷市场运行的工程机械设备的构件材料，目的是获得具有较高低温冲击韧性和力学性能的材料。通过电子背散射衍射实验进行了微结构分析。结果表明，不同焊接接头的力学性能存在差异，这是由细晶强化和位错强化机制共同作用的结果。通过对熔池凝固过程的模拟，发现不同的合金元素对凝固过程中的结晶相变有显著的影响。这导致了晶粒尺寸、高角度晶界和位错密度的显著差异。结果表明，钛有利于针状铁素体的形核，导致冲击断裂以能量密集型断裂形式为主。这种效应有效地抑制了裂纹扩展，提高了焊接接头的低温冲击韧性。

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引用次数: 0

Optimizing phase stability and synthesis of calcium/magnesium vanadates for low-temperature cofired ceramics: Phase diagram study and thermodynamic modelling 优化低温共烧陶瓷的相稳定性和钒酸钙/镁的合成：相图研究和热力学建模

IF 7.9 2区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials & Design

Pub Date : 2025-12-08 DOI: 10.1016/j.matdes.2025.115302

Guishang Pei , Zhuoyang Li , Mengjiao Jiao , In-Ho Jung , Xuewei Lv

Calcium and magnesium vanadates in the CaO-V₂O₅ and MgO-V₂O₅ systems have attracted considerable attention as potential low-temperature cofired ceramics (LTCC) owing to their relatively low melting temperatures, wide compositional tunability, and promising dielectric performance. In this study, key phase diagram experiments were conducted for both systems using X-ray diffraction (XRD) and simultaneous thermal analysis (STA). Notably, Ca₇V₄O₁₇ was identified in the CaO-V₂O₅ system. The thermodynamic modeling of these two systems was reconstructed using the CALPHAD (CALculation of PHAse Diagrams) approach, incorporating a critical evaluation of all available phase diagram data and thermodynamic properties. The experimental results were successfully reproduced across the entire compositional range, yielding a self-consistent set of model parameters for both solid and liquid phases. The developed thermodynamic database was further applied to simulate synthesis conditions and evaluate the phase stability of calcium and magnesium vanadates, providing valuable insights into their potential application as LTCC materials.

CaO-V2O5和MgO-V2O5体系中的钒酸钙和镁由于其相对较低的熔融温度、广泛的成分可调性和良好的介电性能，作为潜在的低温共烧陶瓷（LTCC）受到了广泛的关注。本研究利用x射线衍射（XRD）和同步热分析（STA）对两种体系进行了关键相图实验。值得注意的是，Ca7V4O17在CaO-V2O5体系中被鉴定出来。使用CALPHAD（相图计算）方法重建了这两个系统的热力学模型，并对所有可用的相图数据和热力学性质进行了关键评估。实验结果成功地在整个成分范围内重现，产生了一组自一致的固相和液相模型参数。利用建立的热力学数据库进一步模拟了钒酸钙和钒酸镁的合成条件，并对其相稳定性进行了评价，为其作为LTCC材料的潜在应用提供了有价值的见解。

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引用次数: 0

From SLM process parameters to performance: microstructure and mechanics of nanostructured titanium 从SLM工艺参数到性能：纳米结构钛的微观结构和力学

IF 7.9 2区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials & Design

Pub Date : 2025-12-08 DOI: 10.1016/j.matdes.2025.115250

Amirreza Mohammadi, Abolfazl Malti, Abbas Montazeri

Titanium (Ti) and its alloys are widely employed in dental implants because of their outstanding mechanical properties and biocompatibility. Recently, selective laser melting (SLM), as a widely adopted additive manufacturing (AM) technique, has gained significant attention for producing medical devices, including implants with complex geometries and high dimensional precision. In SLM, precise adjustment of processing parameters is essential to control microstructure and optimize performance. Despite extensive experimental and numerical efforts, a comprehensive atomic-scale understanding of how SLM process parameters collectively influence microstructure evolution, porosity formation, atomic dynamics, and mechanical behavior in pure Ti remains limited. In this study, molecular dynamics (MD) simulations were utilized to bridge this knowledge gap by systematically examining the critical SLM parameters affecting the microstructural, dynamic, and mechanical responses of nanostructured Ti. Results, validated against experimental observations, revealed that laser power, scan speed, and substrate temperature critically influence Ti microstructures and strength. Increasing power up to 400 eV and substrate preheating enhanced densification and reduced porosity, while excessive scan speeds (>2 Å/ps) caused defect-induced reductions in strength. This study clarifies the relationships between SLM parameters, microstructural evolution, and mechanical response, offering transferable design insights for tailoring process conditions to achieve optimized properties in Ti-based biomedical components.

钛及其合金以其优异的力学性能和生物相容性被广泛应用于口腔种植体中。近年来，选择性激光熔化（SLM）作为一种广泛采用的增材制造（AM）技术，在生产复杂几何形状和高尺寸精度的植入物等医疗器械方面受到了广泛关注。在SLM中，精确调整加工参数是控制微结构和优化性能的关键。尽管进行了大量的实验和数值研究，但对纯Ti中SLM工艺参数如何共同影响微观结构演变、孔隙形成、原子动力学和力学行为的全面的原子尺度理解仍然有限。在这项研究中，通过系统地研究影响纳米结构Ti的微观结构、动态和力学响应的关键SLM参数，利用分子动力学（MD）模拟来弥补这一知识差距。实验结果表明，激光功率、扫描速度和衬底温度对钛的微观结构和强度有重要影响。将功率提高到400 eV，并对衬底进行预热，增强了致密性，降低了孔隙率，而过大的扫描速度（>2 Å/ps）会导致缺陷导致的强度降低。该研究阐明了SLM参数、微观结构演变和机械响应之间的关系，为定制工艺条件提供了可转移的设计见解，以实现ti基生物医学部件的优化性能。

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引用次数: 0

Magnetic maze in steel resolved by correlative structural analysis 用相关结构分析方法解决钢结构中的磁迷宫问题

IF 7.9 2区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials & Design

Pub Date : 2025-12-08 DOI: 10.1016/j.matdes.2025.115260

Suvi Santa-aho , Julian Rozo Vasquez , Sami Kaappa , Mari Honkanen , Lasse Laurson , Simon Strodick , Frank Walther , Minnamari Vippola

Grains in ferritic steel oriented along the hard magnetization axis exhibit complex magnetic structures, often visualized as maze-like patterns using magnetic force microscopy. Although previously observed, their origin has remained unclear. Our study combines correlative structural analysis—including analytical electron microscopy, magnetic force microscopy, magneto-optical Kerr microscopy, and micromagnetic simulations—to reveal the origin of these patterns. Both experiments and simulations confirm that grains aligned with the hard axis show a maze-like domain structure, while other orientations display simpler configurations. Simulations demonstrate that the maze arises from slight out-of-plane magnetization components along the (111) surface, whereas magnetization remains in-plane on the (110) surface due to energy minimization. Notably, maze-like domains are absent when the surface orientation deviates more than 7

^{\circ}

from the hard axis. We also identify a critical thickness range (120–256 nm) necessary for maze formation. Dynamic studies show that maze-like patterns disappear if the magnetic field in the vertical direction increases, while the actual domain walls move between pinning sites. Our comprehensive approach provides quantitative validation for a previously qualitative phenomenon, offering new insight into the magnetic behavior of ferritic steel and the measurable influence of crystallographic orientation and sample thickness on domain structure.

铁素体钢中沿硬磁化轴取向的晶粒表现出复杂的磁性结构，使用磁力显微镜通常可以看到迷宫状的图案。虽然以前观察过，但它们的起源仍然不清楚。我们的研究结合了相关的结构分析——包括分析电子显微镜、磁力显微镜、磁光克尔显微镜和微磁模拟——来揭示这些图案的起源。实验和模拟都证实，沿硬轴方向排列的晶粒呈现出迷宫状的畴结构，而其他方向的晶粒则呈现出更简单的结构。模拟表明，迷宫是由沿（111）表面的轻微面外磁化分量引起的，而（110）表面的磁化由于能量最小化而保持在面内。值得注意的是，当物体表面的朝向偏离硬轴超过7°时，就没有迷宫状的区域。我们还确定了迷宫形成所需的临界厚度范围（120-256 nm）。动力学研究表明，当垂直方向磁场增大时，迷宫状图案消失，而实际畴壁在钉钉位点之间移动。我们的综合方法为以前的定性现象提供了定量验证，为铁素体钢的磁性行为以及晶体取向和样品厚度对畴结构的可测量影响提供了新的见解。

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引用次数: 0

Electroacoustic wave scattering from cylindrical inhomogeneities in transversely isotropic piezoelectric composites 横向各向同性压电复合材料中圆柱形非均匀性引起的电声散射

IF 7.9 2区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials & Design

Pub Date : 2025-12-08 DOI: 10.1016/j.matdes.2025.115296

Jinlei Gai , Xujiao Yang , Yunlong Zhao

This study addresses a critical gap in understanding the influence of cylindrical inhomogeneities on electroacoustic wave scattering in transversely isotropic piezoelectric composites—a promising class of multifunctional building materials. The research focuses on how inclusion properties (e.g., rigid vs. soft, dense vs. lightweight) affect wave scattering behavior under long-wavelength conditions. An analytical model based on integral equations and Green’s function theory was developed to derive exact expressions for the scattering amplitude and total cross-section. Numerical simulations performed in MATLAB reveal that rigid, high-density fibers significantly reduce the scattering cross-sections at higher wavenumbers (ka = 1.0), whereas soft, lightweight fibers enhance scattering, particularly at lower wavenumbers (ka = 0.05). The novelty of this work lies in its multi-scale homogenization framework, which bridges micro-scale scattering mechanisms with macro-scale wave propagation properties in piezoelectric-cement composites. These findings provide fundamental insights for designing piezoelectric composite-based building materials with tailored wave propagation characteristics, supporting applications in embedded sensing, non-destructive inspection, and acoustic insulation in construction.

本研究解决了理解横各向同性压电复合材料（一种很有前途的多功能建筑材料）中圆柱形不均匀性对电声散射的影响的关键空白。该研究的重点是包裹体性质（例如，刚性与软性，致密与轻质）如何影响长波条件下的波散射行为。建立了基于积分方程和格林函数理论的解析模型，导出了散射振幅和总截面的精确表达式。在MATLAB中进行的数值模拟表明，刚性、高密度的纤维在高波数（ka = 1.0）下显著减小散射截面，而柔软、轻质的纤维增强散射，尤其是在低波数（ka = 0.05）下。这项工作的新颖之处在于它的多尺度均匀化框架，它将压电-水泥复合材料中的微观尺度散射机制与宏观尺度波传播特性联系起来。这些发现为设计具有定制波传播特性的压电复合材料提供了基础见解，支持了嵌入式传感、无损检测和建筑隔音的应用。

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引用次数: 0

Rotor dynamics-oriented assembly interface design 面向转子动力学的装配接口设计

IF 7.9 2区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials & Design

Pub Date : 2025-12-08 DOI: 10.1016/j.matdes.2025.115298

Yicong Zhou , Jinyan Duan , Wenbin Zheng , Jun Hong , Timon Rabczuk

Assembly interfaces are inherent in practical rotor systems and significantly influence rotor dynamics. Tuning dynamic behavior through interface property design represents a promising yet underexplored strategy. This study focuses on interface geometry and aims to regulate rotor dynamics by proactively designing the interface shape. The shape is modeled using sequentially connected control points, with adjustments made by varying their positions. Influence of interface shape on rotor dynamics is determined through a parametric correlation analysis. An adaptive multi-objective optimization approach that combines Kriging and multi-objective genetic algorithm is employed to identify the optimal interface shape within a finite element framework. Rotor dynamics experiments are conducted to validate the simulation results. The proposed design methodology is applied to a bolted thin-shell rotor system under both thermal-structural coupled and isothermal conditions. Results demonstrate that the designed interface shape increases critical speed and reduces unbalanced vibration.

在实际的转子系统中，装配接口是固有的，对转子动力学有着重要的影响。通过接口属性设计来调整动态行为是一种很有前途但尚未充分开发的策略。本研究的重点是界面几何，旨在通过主动设计界面形状来调节转子动力学。形状使用顺序连接的控制点建模，通过改变它们的位置进行调整。通过参数相关分析确定了界面形状对转子动力学的影响。采用Kriging和多目标遗传算法相结合的自适应多目标优化方法在有限元框架内确定最优界面形状。通过转子动力学实验验证了仿真结果。将所提出的设计方法应用于热结构耦合和等温条件下的螺栓连接薄壳转子系统。结果表明，所设计的界面形状提高了临界转速，减小了不平衡振动。

引用次数: 0