Thursday, 5 March, 11h00, MSG-024/25 Bernal Institute

Physical Multiscale Fatigue Modeling from Atoms to Components without Experiments


In this presentation, the first successful examples of real multiscaling from atoms to macroscale for different applications for metals will be outlined. Multiscale simulation comprises all length scales from electrons/atoms via micromechanical contributions to macroscopic materials behavior and further up to applications for components, frequently called multiscale materials modelling (MMM) (Fig. 1).

A main focus of this presentation will be on new developments with special emphasis on MD-simulations and other methods involved and how they interact within the present approach. It will be shown that each method is superior on the respective length scale. Furthermore, the parameters which transport the relevant information from one length scale to the next one are decisive for performing physically based multiscale simulations [1].

While in the past, different methods were tried to be combined into one simulation, it is nowadays obvious in many fields of research that a successful way to succeed in understanding the mechanical behavior of materials is to apply scale bridging techniques in sequential multiscale simulations (Fig. 2) to achieve physically based practical material solutions without adjustment to any experiment. This has opened the door to real virtual materials design strategies.

Finally, it will be shown that the approach is not limited to metals but can be extended to other material classes and can also be applied to composites [2] as well as to many aspects of material problems in modern technical applications where all disciplines meet, from physics to materials science and further on to engineering applications. Emphasis will be put on the problem of fatigue of metals where multiscale materials modelling can provide the answer to numerous questions such as the influence of the lattice type or the relevance of materials properties. A new rule for fatigue strength is derived based on the critical resolved shear stress (CRSS).


[1]           Schmauder, S., Schäfer, I. (Eds.) 2016, Multiscale Materials Modelling – Approaches to Full Multiscaling, Walter de Gruyter GmbH, Berlin/Boston, 326 p.

[2]           Schmauder, S., Mishnaevsky, L. (Eds.) 2008, Micromechanics and Nanosimulation of Metals and Composites – Advanced Methods and Theoretical Concepts, Springer, Berlin/Heidelberg, 420 p.


Siegfried Schmauder is a Professor for Strength of Materials and Materials Techniques in Stuttgart/Germany since 1994. He was educated in Stuttgart where he received his Diploma in Mathematics at the same University and his doctorate in Materials Science at the Max-Planck-Institute for Metals Research. He held postdoc positions in Tokyo/Japan and Santa Barbara/USA from 1989-1991. His main research topic is Multiscale Materials Modelling where he published the first book for different classes of materials.


 Tea/coffee will be available at 10h45

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