ORALS

In this overview it will be shown how the first successful example of real multiscaling for metals was achieved. Multiscale simulation in the present context comprises the involvement of all length scales from atomistics via micromechanical contributions to macroscopic materials behavior and further up to applications for components - multiscale materials modelling (MMM).The main focus of this work will be put on new developments with special emphasis on MD-simulations as well as other modelling tools such as Monte Carlo (MC) or Finite Element (FE) methods and how they interact within the present approach. It will be shown that each method is superior on its respective length scale. The parameters which transport the relevant information from one length scale to the next one are decisive for the success of physical multiscaling – and is demonstrated by a recent international state of the art summary shown in ref. [1]. In the past, the different involved methods were combined into one simulation. However, it is nowadays obvious that the preferred way to succeed in reliably understanding the mechanical behavior of materials is to apply scale bridging techniques in sequential multiscale simulations in order to achieve physically based practical material solutions without any experimental adjustment. This opens the door to successful virtual material design strategies.In this presentation micromechanical material modelling is not limited to metals but will be extended to other material classes. This approach can also be applied to composites, as shown in the literature overview in [2] as well as to many aspects of material problems in modern technical applications where several disciplines meet - physics, materials science as well as engineering.A main focus will be put on the problem of fatigue of metals. Here, multiscale materials modelling will provide, e.g., S-N (or Wöhler) diagrams and can answer questions such as the influence of lattice type or material properties on fatigue behavior - without performing extensive experiments as required in the past. This will provide tremendous acceleration for industrial development of materials and components as shown by examples in [3].

References:
[1] S. Schmauder, I. Schäfer (Eds.) 2016, Multiscale Materials Modelling – Approaches to Full Multiscaling, Walter de Gruyter GmbH, Berlin/Boston, 326 p.
[2] S. Schmauder, L. Mishnaevsky Jr. (Eds.) 2008, Micromechanics and Nanosimulation of Metals and Composites – Advanced Methods and Theoretical Concepts, Springer, Berlin/Heidelberg, 420 p.
[3] M. Mlikota, S. Schmauder, Ž. Božić (Ed.: K.J. Dogahe) 2022, Multiscale Fatigue Modelling of Metals, Materials Research Forum (MRF) LLC, Millersville, PA, USA, 85 p.