材料科学
共晶体系
冯·米塞斯屈服准则
复合材料
钻石
相(物质)
分子动力学
合金
结构工程
有限元法
工程类
计算化学
有机化学
化学
作者
Duy-Khanh Nguyen,Te‐Hua Fang,Ching-Chien Huang
标识
DOI:10.1016/j.ijmecsci.2024.109389
摘要
The dual-phase alloys exhibit a promising combination of properties that either neutralize or compensate for the weakness of the two contained components and are characterized by the phase distribution. Despite the material's high potential for superior mechanical properties, there are still not many reports on understanding the mechanical properties of materials at the atomic level. Therefore, this work uses Molecular Dynamics simulation to investigate material reactions and mechanical properties of lamellae and herringbone patterns of dual-phase herringbone FeCoNIAl high-entropy alloys under the scratching process with various depths and directions. The dual-phase workpiece, constructed and interwoven between the face-center cubic (FCC) and body-center cubic (BCC), displays an imbalanced distribution of von Mises stress and shear strain with a higher level in BCC volume. Moreover, the atomic force is generally less significant and more stable when the diamond tool is performed on the BCC layer surface. In addition, the migration of atoms under force occurs synchronously at the FCC layer before being slowly redirected or dispersed in the BCC volume, depending on the orientation of the structural interface. Structural interfaces block the dislocations that arise during the scratching process. The herringbone workpieces isolate the propagation of stress and shear strain and direct the migration of interior atoms, creating deformation that encourages the sliding of the tool in the direction of [100] and good mechanical stability distal portions of specimens.
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