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

• المؤلفون الرئيسيون: Ta, Huong Thi Thuy, Tran, Nam Van, Righi, Maria Clelia
• مؤلفون آخرون: School of Materials Science and Engineering
• التنسيق: مقال
• اللغة: English
• منشور في: 2024
• الموضوعات: Engineering; Adsorbed Molecules; Atomistics
• الوصول للمادة أونلاين: https://hdl.handle.net/10356/173453
• المؤسسة: 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...