Inspired by the experimentally observed ferrite-cementite interface damage and ferrite matrix damage, this work develops a cross-scale method using the cohesive zone model (CZM) as a bridge to study the mechanical damage behavior of ferrite-cementite steel at the micro-nano scale. The CZM parameters for the damage region of ferrite-cementite steel were obtained by molecular dynamics (MD) simulations, which were then applied to cohesive elements in the finite element (FE) framework, thus enabling crack initiation and propagation at the micro-scale. Simulation results show that the ferrite-cementite interface is more susceptible to damage resulting in cracking compared to the ferrite matrix, which is consistent with the experimental observation that there are extensive debonded voids due to interface damage. The implementation of this work provides a new way to study the micro-nano scale mechanical behavior of heterogeneous materials containing both interface damage and matrix damage.

中文翻译：

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用于模拟铁素体-渗碳体钢机械损伤行为的 MD-FE 跨尺度方法

受实验观察到的铁素体-渗碳体界面损伤和铁素体基体损伤的启发，该工作开发了一种以内聚区模型（CZM）为桥梁的跨尺度方法，研究铁素体-渗碳体钢在微纳条件下的机械损伤行为。规模。通过分子动力学 (MD) 模拟获得铁素体-渗碳体钢损伤区域的 CZM 参数，然后将其应用于有限元 (FE) 框架中的内聚单元，从而实现微观尺度裂纹的萌生和扩展。模拟结果表明，与铁素体基体相比，铁素体-渗碳体界面更容易受到损伤而导致开裂，这与实验观察到由于界面损伤而存在广泛的脱粘空洞是一致的。这项工作的实施为研究同时含有界面损伤和基体损伤的异质材料的微纳尺度力学行为提供了新的途径。