Materials science is a rapidly-evolving field aimed at understanding the atomic-scale origin of material properties. Nearly all observable characteristics of materials, such as density, strength, thermal/electrical conductivity, color, etc., can be traced back to interactions between the individual atoms in the material. This has led to the development of computational materials science, in which the collective behavior of 10 million atoms (or more) are simulated on large-scale computing resources (“supercomputers”) to help better understand the chemistry and physics of materials.
Using modern, but accessible, software tools, you can bring these concepts into your classroom to connect theory with quantitative predictions. Using small diatomic molecules and simple crystals, we’ll investigate:
1. Particle motion using Newton’s Laws of Motion;
2. Temperature-pressure-volume relationships for ideal gases (Boyle’s, Charles’, and the Ideal Gas Law);
3. Electrostatic forces on charged particles (Coulomb’s Law);
4. Equilibrium bond lengths and binding energies of diatomic molecules;
5. Metallic, covalent, ionic, and van der Waals bonding.
No experience with programming is required.