Multiscale models typically involve coupling different types of simulations that operate at distinct scales. For example:
- Quantum Mechanical Models: These models operate at the atomic level, using principles of quantum mechanics to describe the behavior of electrons and atoms. They are crucial for understanding the electronic properties of materials. - Molecular Dynamics (MD) Simulations: MD simulations work at the molecular level, predicting how atoms and molecules interact over time. They are useful for studying the structural and thermal properties of nanomaterials. - Continuum Models: These models describe material behavior at the macroscopic level, using continuum mechanics principles. They are important for understanding the overall mechanical properties of materials.
By integrating these different models, researchers can obtain a comprehensive understanding of material behavior across all relevant scales.
