使用ReaxFF反应分子动力学模拟的玻璃陶的计算断裂和热分析

The size of the unit cell and the arrangement of atoms in a crystal may be determined from measurements of the diffraction of X-rays by the crystal, termed X-ray crystallography.
Diffraction
Diffraction is the change in the direction of travel experienced by an electromagnetic wave when it encounters a physical barrier whose dimensions are comparable to those of the wavelength of the light. X-rays are electromagnetic radiation with wavelengths about as long as the distance between neighboring...

Brittle materials, including glass, cast iron, and stone, exhibit unique characteristics. They fracture without considerable change in their elongation rate, indicating that their breaking and ultimate strength are equivalent. Such materials also show lower strain levels at the point of rupture. The failure in brittle materials predominantly results from normal stresses, as evidenced by the rupture created along a surface perpendicular to the applied load. These materials do not display...