Ab initio calculations of grain boundaries in bcc metals

By D. Scheiber, R. Pippan, P. Puschnig, L. Romaner. 2016

160 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Biomedical Engineering, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/ce13a36afc48db29a2ffb74f37acb610366d680a

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Atomic and Molecular Physics, and Optics

1. Huijin Zheng
2. Chi Chen
3. M. Horton
4. Donny Winston
5. Xiang-Guo Li
6. Shyue Ping Ong
7. Richard Tran
8. Kristin A. Persson

In Materials Chemistry

1. Shyue Ping Ong
2. Chi Chen
3. Kristin A. Persson
4. Huijin Zheng
5. M. Horton
6. Donny Winston
7. Xiang-Guo Li
8. Richard Tran

Citations in the corpus

• Grain boundary properties of elemental metals (2019, methodology): “[40] have computed 14 types f GBs for W, Mo and Fe using DFT, while Wang et al.”
• Ab initio search for cohesion-enhancing impurity elements at grain boundaries in molybdenum and tungsten (2016, background): “First, for the older studies [18, 19], the selected GB is a geometric variant of the Σ27(1 1 0)[5 − 5 2] GB, which, however, corresponds not to the equilibrium structure but an excited structure leading to a decrease of the inherent GB cohesion [5].”