Effects of Boron Defects on Mechanical Strengths of TiB2 at High Temperature: Ab Initio Molecular Dynamics Studies

We report the determination of diffusion paths and potential barriers of boron point defects in TiB2 calculated using climbing image nudged elastic band method at T=0K, andab initio molecular... The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Phys. Chem. Chem. Phys. latest articles - February 26, 2020 Category: Chemistry Authors: Shuchao Zhang Source Type: research