Si-C

Microscopic origin of polytype-dependent melting in SiC revealed by machine-learning molecular dynamics

arXiv:2606.00403v1 Announce Type: cross Abstract: Predicting how crystal structure influences high-temperature stability remains a key challenge in materials modelling and design. Silicon carbide (SiC), one of the most thermally and chemically stable materials known, provides an ideal system for studying this problem because its many polytypes preserve similar local tetrahedral bonding while differing in long-range stacking geometry. Here, we combine phase-coexistence machine-learning...