THE SCIENCE OF MATERIALS PROPERTIES SIMULATION

Abstract

We present four cases of simulating material properties simulation. The first case is based on existing experiments to develop an appropriate theory to reproduce them. In the second case there is experimental evidence of a defect and on attempt is made to develop a theory from which definite experiments can be designed. The following case treats a complicated system with simple  theoretical approach that, nevertheless, provides useful information. The last case is purely experimental and an experimental simulation is performed. In all cases emphasis is given to the physics of the properties and to theoretical or experimental methods.