The following student projects are associated with MIT course 3.016 Computational Methods for Materials Scientists and the equivalent course taught by MIT professor W. Craig Carter at L’École polytechnique fédérale de Lausanne (EPFL).
Crystallography and Structure
› Selected student projects (click to reveal / hide)
Creating Mathematica Functions to Determine Degree of Crystallinity from XRD Plots (notebook & video)
Real and Reciprocal Space in 2D and 3D (notebook & video)
Nanoparticle-polymer Network (notebook & video)
Crystallography (notebook & video)
Crystallographic Point Groups (notebook & video)
A Basic and Fun Introduction to Crystalline Structures (notebook & video)
Modeling & Energy Analysis of Liquid Crystals (video)
Liquid Crystals (video)
Energetics and Thermodynamics
› Selected student projects (click to reveal / hide)
Finding the Perfect Diamond: Why It’s Impossible (notebook & video)
Tight Binding Model (notebook & video)
Potential Energy Surfaces (notebook & video)
Simulation of Vacancy Diffusion (video)
Experimental Techniques
› Selected student projects (click to reveal / hide)
Creating Mathematica Functions to Determine Degree of Crystallinity from XRD Plots (notebook & video)
Examination of Electrochemical Impedance (notebook)
Image Processing Using the Watershed Transformation (notebook)
Heat and Mass Transfer
› Selected student projects (click to reveal / hide)
Heat Transfer in a Material (notebook & video)
Exploration of Conductive Heat Transfer (notebook)
Fluid Flow in Pipes and Rivers (video)
Mechanical Properties
› Selected student projects (click to reveal / hide)
Visualizing the Energies of Screw Dislocations (notebook & video)
Mohr’s Circles (notebook & video)
The Stress and Strain Induced by Dislocations (notebook)
Mohr’s Circle (video)
Hooke’s Law in Cubic Solids (video)
Optical Properties
› Selected student projects (click to reveal / hide)
Thin Film Rainbows (notebook & video)
The Fundamental Principles of Reflection and Refraction (notebook)
Photoluminescence and a Case Study of Zinc Sulfide (notebook)
Birefringence in Dispersive Media (notebook)
Investigation of the Role of Structure in Color of Biomaterials (notebook)
Spherical Distribution Problem (video)
Quantum, Magnetic, and Electronic Properties
› Selected student projects (click to reveal / hide)
Quantum Time Evolution Using the Split Operator Fourier Transform Algorithm (notebook & video)
Tight Binding Model (notebook & video)
2D Brillouin Zones (notebook & video)
An Introduction to Spintronics (notebook)
Particle in a Tube (video)
