Atomistic and Multiscale Material Modeling and Testing (MMM)

Understanding how materials fail has always been of great importance to enable and advance technologies. With the concept of nanotechnology we now start creating structures and technologies at the scale of single atoms, and atomistic modeling and simulation is becoming increasingly important in the engineering design process. In recent years quantum mechanical based approaches have become more available for engineers because of effective calculation procedures and the rapid increase in computer power. The gap between continuum mechanics and first principle based models is decreasing, and it is now possible to perform calculations of materials with sufficiently large volumes (millions of atoms) to represent typical deformation mechanisms. The focus is on failure mechanisms related to fracture mechanics concepts of metals and ceramics, from a bottom-up perspective. Also other mechanical properties (elasticity, plasticity) and groups of materials (nano-materials, bio-materials) will be introduced. The topics include basic molecular dynamics, atomistic analysis methods, interatomic potentials, multi-scale methods, basic fracture mechanics, deformation mechanisms (brittle fracture, dislocation mechanics, dynamic fracture), nanomechanical testing, modeling of nanomaterials (carbon nanotubes, nanowires) and modeling of protein based bio-materials. The subject includes hands-on computational projects. Students will learn how to link atomistic based multi-scale models of materials with engineering models and continuum theory.

KNOWLEDGE
• Be in the forefront of knowledge about fundamental theories for atomistic modeling of fracture and multiscale material modeling and testing
• Can evaluate different methods and choose the most optimum solution for a defined case
• Knowledge within computations of atomistic and multiscale calculations on supercomputer clusters

SKILLS
• Formulate problems and carry out atomistic calculations on supercomputers
• Define calculation input parameters and analyze the results
• Carry out Case in cooperation with other students and plan, perform and present the results

GENERAL COMPETENCE
• General competence in atomistic and multiscale modeling and testing of materials failure
• Good background for performing computations on supercomputers
• Can manage complex interdisciplinary assignments and projects

Lectures and project work with atomistic calculations. The lectures are in English when students who do not speak Norwegian take the course. To pass the course a score of at least 70 percent is required.