Ontology highlight
ABSTRACT:
SUBMITTER: Ta HTT
PROVIDER: S-EPMC10569040 | biostudies-literature | 2023 Oct
REPOSITORIES: biostudies-literature
Ta Huong T T HTT Tran Nam V NV Righi M C MC
Langmuir : the ACS journal of surfaces and colloids 20230927 40
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 passivation by oxygen, hydrogen, and water fragments. The primary mechanism of wear is identified as the detachment of the carbon chains. This is particularly true for oxidized diamond and diamonds inter ...[more]