Periodic Reporting for period 4 - TIME-BRIDGE (Time-scale bridging potentials for realistic molecular dynamics simulations)
Reporting period: 2019-03-01 to 2020-12-31
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.
Progress has been achieved also in the research direction focusing on the length scale problem, for example, by developing new and improved atomic interactions or by coupling the atomistic domain to larger length scale continuum approaches. As for the experiments, miniaturized, or so-called small scaled compression experiments have been performed on copper single crystalline micro pillars oriented in two distinct crystallographic orientations, which is a well-studied system and consequently serves as an idealized model system to study the processes simulated with our atomistic developments.