@article{oai:ynu.repo.nii.ac.jp:00010254,
 author = {Iwaoka, Hideaki and Hirosawa, Shoichi},
 journal = {Computational Materials Science},
 month = {Mar},
 note = {In this study, we computed the elastic properties of Cu-Zn binary intermetallic compounds, CuZn, Cu5Zn8 and CuZn4, by first-principles calculation and discussed the capability of the improvement in stiffness of aluminum alloys by aging treatment. The disordered CuZn4 with random atom distribution was emulated for the first time by virtual crystal approximation (VCA) model and special quasirandom structure (SQS) model with symmetry-based projection (SBP) technique. From the present calculation results, it was found that Young’s modulus of polycrystalline aggregate of CuZn4 is almost comparable to the highest counterpart of Cu5Zn8 with lower elastic anisotropy, but the expected volume fraction of CuZn4 is much higher than that of Cu5Zn8 after aging treatment. According to the rule of mixtures for the aluminum matrix and differently oriented intermetallic compounds, therefore, CuZn4 was rationally recommended as the most suitable intermetallic compound for improving the stiffness of Al-Cu-Zn alloys.},
 title = {First-principles calculation of elastic properties of Cu-Zn intermetallic compounds for improving the stiffness of aluminum alloys},
 volume = {174},
 year = {2020}
}