Molecular Dynamics Study on the Strengthening Mechanisms of Cr-Fe-Co-Ni High-Entropy Alloys Based on the Generalized Stacking Fault Energy

2021 ◽  
Author(s):  
Asker Jarlöv ◽  
Weiming Ji ◽  
Zhiguang Zhu ◽  
Yuanyuan Tian ◽  
Rita Babicheva ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Stacking Fault ◽  
Stacking Fault Energy ◽  
High Entropy Alloys ◽  
Strengthening Mechanisms ◽  
High Entropy ◽  
Generalized Stacking Fault ◽  
Generalized Stacking Fault Energy

scholarly journals Generalized Stacking Fault Energy of Al-Doped CrMnFeCoNi High-Entropy Alloy

Nanomaterials ◽  
2019 ◽  
Vol 10 (1) ◽  
pp. 59 ◽  
Author(s):  
Xun Sun ◽  
Hualei Zhang ◽  
Wei Li ◽  
Xiangdong Ding ◽  
Yunzhi Wang ◽  
...  
Keyword(s):  
Interfacial Energy ◽  
Stacking Fault ◽  
Stacking Fault Energy ◽  
High Entropy Alloy ◽  
High Entropy Alloys ◽  
Face Centered Cubic ◽  
High Entropy ◽  
Al Content ◽  
Generalized Stacking Fault ◽  
Generalized Stacking Fault Energy

Using first-principles methods, we investigate the effect of Al on the generalized stacking fault energy of face-centered cubic (fcc) CrMnFeCoNi high-entropy alloy as a function of temperature. Upon Al addition or temperature increase, the intrinsic and extrinsic stacking fault energies increase, whereas the unstable stacking fault and unstable twinning fault energies decrease monotonously. The thermodynamic expression for the intrinsic stacking fault energy in combination with the theoretical Gibbs energy difference between the hexagonal close packed (hcp) and fcc lattices allows one to determine the so-called hcp-fcc interfacial energy. The results show that the interfacial energy is small and only weakly dependent on temperature and Al content. Two parameters are adopted to measure the nano-twinning ability of the present high-entropy alloys (HEAs). Both measures indicate that the twinability decreases with increasing temperature or Al content. The present study provides systematic theoretical plasticity parameters for modeling and designing high entropy alloys with specific mechanical properties.

Effects of stacking fault energy on the deformation behavior of CoNiCrFeMn high-entropy alloys: A molecular dynamics study

2021 ◽  
Vol 119 (20) ◽  
pp. 201907
Author(s):  
Tengfei Zheng ◽  
Jiecheng Lv ◽  
Yuan Wu ◽  
Hong-Hui Wu ◽  
Shaofei Liu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Deformation Behavior ◽  
Stacking Fault ◽  
Stacking Fault Energy ◽  
High Entropy Alloys ◽  
High Entropy

scholarly journals Generalized stacking fault energy of carbon-alloyed paramagnetic $ \gamma $ -Fe

2018 ◽  
Vol 31 (6) ◽  
pp. 065703
Author(s):  
Ruiwen Xie ◽  
Wei Li ◽  
Song Lu ◽  
Yan Song ◽  
Levente Vitos
Keyword(s):  
Stacking Fault ◽  
Stacking Fault Energy ◽  
Generalized Stacking Fault ◽  
Generalized Stacking Fault Energy
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