层厚比对钛/铝层状复合材料裂纹扩展机制影响的分子动力学研究

朱强; 张自昂; 陈铭; 张林福; 刘康; 范国华; 李道乾; 逯红果; 张洁; 司玉霄; 张鹏

doi:10.3969/j.issn.1674-6457.2026.02.008

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精密成形工程 ›› 2026, Vol. 18 ›› Issue (2) : 81-90. DOI: 10.3969/j.issn.1674-6457.2026.02.008

复合材料成形

层厚比对钛/铝层状复合材料裂纹扩展机制影响的分子动力学研究

朱强¹, 张自昂¹, 陈铭¹, 张林福¹, 刘康¹, 范国华², 李道乾³, 逯红果³, 张洁⁴, 司玉霄⁴, 张鹏^1,*

作者信息 +

Molecular Dynamics Insights into Crack Propagation Mechanisms in Ti/Al Laminated Composites: Role of Layer Thickness Ratio

ZHU Qiang¹, ZHANG Ziang¹, CHEN Ming¹, ZHANG Linfu¹, LIU Kang¹, FAN Guohua², LI Daoqian³, LU Hongguo³, ZHANG Jie⁴, SI Yuxiao⁴, ZHANG Peng^1,*

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文章历史 +

摘要

目的探究层厚比对钛/铝层状复合材料裂纹扩展机制的影响,为理解其优异的强韧性协同效应提供原子尺度的见解。方法采用分子动力学模拟方法,构建了3种不同钛层层厚分数（25%、50%、75%）的钛/铝层状复合材料模型,并对其拉伸行为和裂纹动力学特性进行了系统分析。在模拟中,通过施加单轴拉伸载荷,并利用OVITO软件对原子运动、应力分布、位错演化和裂纹尖端扩展过程进行实时追踪和定量分析。结果随着钛层层厚分数从25%增加到75%,峰值应力提升了38.8%,这主要归因于异质变形诱导强化效应,其中界面位错增强了背应力并抑制了塑性失稳。裂纹扩展模式也随之转变：25%钛层层厚分数的模型主要表现为铝层主导的纳米孔洞形核和扩展,裂纹路径曲折;而75%钛层层厚分数的模型则表现为钛约束下的裂纹钝化,裂纹路径更直,纳米孔洞形核受到抑制,韧性提高。值得注意的是,50%钛层层厚分数的模型通过平衡位错存储与堆垛层错约束,实现了最优的强韧性协同效应。结论本研究的分子动力学模拟结果清晰地阐明了钛层层厚分数对钛/铝层状复合材料力学性能及裂纹扩展机制的影响。原子尺度分析结果表明,层厚比调控着应力重分布、塑性区演化及界面分层行为,这些发现为协调抗裂性与力学性能提供了设计依据。

Abstract

The work aims to investigate the influence of layer thickness ratio on the crack propagation mechanisms in Ti/Al laminated composites, so as to provide atomic-scale insights into their excellent strength-toughness synergy. Molecular dynamics simulations were conducted to construct three Ti/Al laminated composite models with varying titanium layer thickness ratio (25%, 50%, 75%) and systematically analyze their tensile behavior and crack dynamic characteristics. During the simulations, uniaxial tensile loads were applied, and the OVITO software was used for real-time tracking and quantitative analysis of atomic motion, stress distribution, dislocation evolution, and crack tip propagation. Results indicated that as the titanium layer thickness ratio increased from 25% to 75%, the peak stress rose by 38.8%. This was primarily attributed to the hetero-deformation- induced hardening effect, where interfacial dislocations enhanced back stress and suppressed plastic instability. The crack propagation mode also transitioned: the 25% Ti model predominantly exhibited Al-dominated nano-void nucleation and growth, leading to a tortuous crack path; while the 75% Ti model showed Ti-constrained crack blunting, resulting in a straighter crack path, suppressed nano-void nucleation, and improved toughness. Notably, the 50% Ti model achieved optimal strength-toughness synergy through balanced dislocation storage and stacking fault confinement, realizing the best strength-toughness synergy. The molecular dynamics simulation results clearly elucidate the critical impact of titanium layer thickness fraction on the mechanical properties and crack propagation mechanisms of Ti/Al laminated composites. Atomic-scale analysis reveals that the layer thickness ratio governs stress redistribution, plastic zone evolution, and interfacial delamination, providing design principles for harmonizing crack resistance and mechanical performance.

导出引用

朱强, 张自昂, 陈铭, 张林福, 刘康, 范国华, 李道乾, 逯红果, 张洁, 司玉霄, 张鹏. 层厚比对钛/铝层状复合材料裂纹扩展机制影响的分子动力学研究[J]. 精密成形工程. 2026, 18(2): 81-90 https://doi.org/10.3969/j.issn.1674-6457.2026.02.008

ZHU Qiang, ZHANG Ziang, CHEN Ming, ZHANG Linfu, LIU Kang, FAN Guohua, LI Daoqian, LU Hongguo, ZHANG Jie, SI Yuxiao, ZHANG Peng. Molecular Dynamics Insights into Crack Propagation Mechanisms in Ti/Al Laminated Composites: Role of Layer Thickness Ratio[J]. Journal of Netshape Forming Engineering. 2026, 18(2): 81-90 https://doi.org/10.3969/j.issn.1674-6457.2026.02.008

中图分类号： TG146.2 O346.1

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