Atomistic wear mechanisms in diamond: effects of surface orientation, stress, and interaction with adsorbed molecules

• Main Authors: Ta, Huong Thi Thuy, Tran, Nam Van, Righi, Maria Clelia
• 其他作者: School of Materials Science and Engineering
• 格式: Article
• 語言: English
• 出版: 2024
• 主題: Engineering; Adsorbed Molecules; Atomistics
• 在線閱讀: https://hdl.handle.net/10356/173453
• 機構: Nanyang Technological University

Despite its unrivaled hardness, diamond can be severely worn during the interaction with others, even softer materials. In this work, we calculate from first-principles the energy and forces necessary to induce the atomistic wear of diamond and compare them for different surface orientations and pas...