Semantic Scholar Open Access 2023 32 sitasi

Theoretical and experimental grain boundary energies in body-centered cubic metals

Changle Li Song Lu S. Divinski L. Vitos

Lihat Sumber DOI

Abstrak

Grain boundary energy (GBE) and its temperature dependence in body-centered cubic (bcc) metals are investigated using ab initio calculations. We reveal a scaling relationship between the GBEs of the same grain boundary structure in different bcc metals and find that the scaling factor can be best estimated by the ratio of the low-index surface energy. Applying the scaling relationship, the general GBEs of bcc metals at 0 K are predicted. Furthermore, adopting the Foiles’s method which assumes that the general GBE has the same temperature dependence as the elastic modulus 𝑐 44 [Scr. Mater., 62 (2010) 231–234], the predicted general GBEs at elevated temperatures are found in good agreement with available experimental data. Reviewing two experimental methods for determining the general GBEs, we conclude that the two sets of experimental GBEs for bcc metals correspond to different GB structural spaces and differ by approximately a factor of 2. The present work puts forward an efficient methodology for predicting the general GBEs of metals, which has the potential to extend its application for homogeneous alloys without strong segregation of the alloying element and facilitates GB engineering for advanced alloy design.

Penulis (4)

Changle Li

Song Lu

S. Divinski

L. Vitos

Format Sitasi

APA MLA BibTeX

Li, C., Lu, S., Divinski, S., Vitos, L. (2023). Theoretical and experimental grain boundary energies in body-centered cubic metals. https://doi.org/10.1016/j.actamat.2023.119074

Akses Cepat

Lihat di Sumber doi.org/10.1016/j.actamat.2023.119074

Informasi Jurnal

Tahun Terbit: 2023
Bahasa: en
Total Sitasi: 32×
Sumber Database: Semantic Scholar
DOI: 10.1016/j.actamat.2023.119074
Akses: Open Access ✓