混合键合界面力学行为的多尺度仿真：研究进展与挑战*

doi:10.16257/j.cnki.1681-1070.2026.0097

摘要/Abstract

摘要： 混合键合是实现高密度三维异质集成的关键互连途径，其界面力学可靠性对先进封装器件的性能与良率具有决定性影响。然而，材料热膨胀系数失配、超薄晶圆翘曲以及纳米尺度界面缺陷等问题，易引发显著的应力集中、界面分层乃至结构失效，已成为制约技术技术规模化应用的核心因素。系统综述了混合键合界面力学行为的多尺度仿真研究进展，梳理了从宏观连续介质尺度到微观原子尺度的建模策略，阐述了各尺度研究中侧重的关键问题与面临的挑战。在此基础上，进一步探讨了量子-连续介质耦合建模、人工智能驱动的逆向工艺设计以及数字孪生闭环优化等前沿方向。通过上述多尺度仿真与智能方法的深度融合，将有望实现混合键合研发范式从“经验试错”到“模型驱动”的根本性转变，从而为后摩尔时代的高密度集成提供关键力学支撑。

关键词: 混合键合, 界面力学, 多尺度仿真, 分子动力学, 有限元方法, 先进封装

Abstract: Hybrid bonding has emerged as a critical interconnect method enabling high-density 3D heterogeneous integration. The mechanical reliability of its interfaces has a decisive impact on the performance and yield of advanced packaging devices. However, issues such as coefficient of thermal expansion (CTE) mismatch, warpage of ultra-thin wafers, and nanoscale interfacial defects often lead to severe stress concentration, interfacial delamination, and even structural failure. These have become the core factors limiting the large-scale application of hybrid bonding technology. The research progress of multiscale simulation approaches on the mechanical behavior of hybrid bonding interfaces is systematically reviewed. Modeling strategies spanning from the macroscopic continuum scale to the microscopic atomic scale are systematically organized, and the key issues and challenges encountered at each scale of investigation are highlighted. Furthermore, the emerging frontiers are discussed, including quantum-continuum coupled modeling, artificial intelligence (AI)-driven inverse process design, and digital twin-enabled closed-loop optimization. The deep integration of multiscale simulation with intelligent methodologies holds the promise of transforming hybrid bonding development from empirical trial-and-error toward a model-driven paradigm, thereby providing essential mechanical foundations for high-density integration in the post-Moore era.

Key words: hybrid bonding, interfacial mechanics, multiscale simulation, molecular dynamics, finite element method, advanced packaging

中图分类号:

TN305.94

蔡新添, 舒朝玺, 习杨, 东芳, 张适, 严晗, 刘胜, 彭庆. 混合键合界面力学行为的多尺度仿真：研究进展与挑战^*[J]. 电子与封装, 2026, 26(3): 030008 .

CAI Xintian, SHU Chaoxi, XI Yang, DONG Fang, ZHANG Shi, YAN Han, LIU Sheng, PENG Qing. Multiscale Simulation of Mechanical Behavior at Hybrid Bonding Interfaces: Research Progress and Challenges[J]. Electronics & Packaging, 2026, 26(3): 030008 .

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中国电子学会电子制造与封装技术分会会刊

中国半导体行业协会封测分会会刊

无锡市集成电路学会会刊

混合键合界面力学行为的多尺度仿真：研究进展与挑战^*

Multiscale Simulation of Mechanical Behavior at Hybrid Bonding Interfaces: Research Progress and Challenges

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