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
• Other Authors: School of Materials Science and Engineering
• Format: Article
• Language: English
• Published: 2024
• Subjects: Engineering; Adsorbed Molecules; Atomistics
• Online Access: https://hdl.handle.net/10356/173453
• Institution: 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...