Comprehensive Atomistic Analysis of the Thermal Conductivity and Stability in Advanced Metallics Glass-Ceramic Composite Materials

Research on various metallic glass-ceramics has garnered significant attention in nanotechnology and materials science. Notably, lithium disilicate, aluminum silicates, and lithium aluminum silicate glass-ceramics have proven successful in numerous industrial applications due to their superior mechanical properties, such as high flexural strength and fracture toughness. Therefore, it is crucial to gain a fundamental understanding of the thermal properties of these glass-ceramic materials to extend their use to other commercial applications, such as display glasses and window shields. However, this remains challenging due to the lack of computational efforts to model such complex systems. In this study, we conduct reactive molecular dynamics (RMD) simulations to determine the thermal conductivities of various glass-ceramic materials. Additionally, we examine the thermal behaviors of glass-ceramic composites containing crystal grains to better understand the impact of these grains on the thermal properties. Consequently, our research aims to significantly advance the field of glass-ceramic-based composites, paving the way for enhanced applications across various industries.