Computational fracture and thermal analysis of glass-ceramics using ReaxFF reactive molecular dynamics simulations.

ABSTRACT: Glass-ceramics are widely utilized in diverse industrial applications, such as display panels and automotive components, owing to their exceptional mechanical strength. The properties of such materials can be precisely tailored by adjusting critical parameters, including chemical composition and crystal additives. Despite their significance, the underlying mechanisms by which these parameters affect the fracture and thermal behaviors of glass-ceramics remain insufficiently understood. To address this, we utilized reactive molecular dynamics (RMD) simulations to fundamentally investigate the behaviors of various glass-ceramic materials at the atomic scale. The RMD results provide valuable insights into the mechanical and thermal properties of glass-ceramics, demonstrating that substituting

SUBMITTER: Rodriguez D 

PROVIDER: S-EPMC11849072 | biostudies-literature | 2025 Feb

REPOSITORIES: biostudies-literature