The main aim of TIME-BRIDGE is to design novel methodologies that will enable a more realistic simulation of materials. These simulations will open the pathway to a further improvement of materials properties such as, e.g. strength or deformability. Present-day atomistic simulations face the enormous challenge of bridging the time scale from the atomic motion—i.e. thermal vibrations which happen on the time scale of femtoseconds—to the time scale of seconds where processes relevant for materials properties take place, the so-called rare events. The main idea of TIME-BRIDGE is to develop a special type of potentials that treat the troublesome thermal vibrations in an effective manner. Such potentials are known from the field of electronic structure calculations where they replace effectively the electronic motion. Within TIME-BRIDGE this concept is transferred to the atomic motion. In addition to the time scale problem, also the length scale problem present in atomistic simulations is addressed within the TIME-BRIDGE project. Finally, the third part of TIME-BRIDGE is a complementary experimental branch. In this part, we perform idealized experiments that will serve as a well-defined reference to our new atomistic approaches, allowing to scrutinize critically their performance.
Solving the time and length scale problems is a main objective of the project as it will enable better, more realistic atomistic computer simulations of materials. These simulations will allow materials scientists to improve the properties of materials. The benefit for society can be expected to be substantial in many respects. For example, improved materials properties can lead to safer cars or airplanes. They can also lead to lighter cars or airplanes and thus decrease energy consumption.
