Since the macroscopic properties of a large class of materials depend on the heterogeneities on micro- and mesoscopic scales, appropriate mathematical models are needed to adequately describe the evolution of the spatial structure and composition variations at each of these scales. This has lead to a number of modeling approaches that describe a material’s behavior on different scales ranging from the (sub)atomic to the continuum level.

In this workshop, the focus will be on two closely connected themes: computational multiscale methodology and the coupling of thermodynamic models.

Computational multiscale techniques systematically upscale from smaller to larger spatiotemporal scales using mathematical and physical principles. Widely adopted techniques include the quasi-continuum method, the use of representative volume elements and other computational homogenization approaches.
Within a thermodynamic approach, phase-field, CALPHAD and ab initio techniques are typically coupled to simulate microstructure evolution in multi-component heterogeneous materials. CALPHAD and phase-field models are based on the formulation of thermodynamic energy functions, describing the relevant phenomena on the mesoscale. The coupling with ab initio calculations provides the necessary information for the thermodynamic energy functions and kinetic coefficients.

We will bring together experts in the fields of computational multi-scale techniques and multi-scale thermodynamic modeling. There will be 8 invited speakers (4 in each of the domains), giving a lecture of 40 minutes. Moreover, contributed presentations of 20 minutes are welcomed on topics related to the scope of the workshop. We also encourage each participant to bring a poster on his/her work, which will be displayed for the whole duration of the workshop.

Following our first workshop on Multiscale modeling of moving interfaces in materials in 2008, which was attended by over 70 participants, this is the second in a series of workshops on the interplay between mathematical modeling in materials science and numerical techniques for multiscale simulation.

Please go the registration page to participate.

The organizers,

Nele Moelans (Department of Metallurgy and Materials Engineering, K.U.Leuven)
and Giovanni Samaey (Department of Computer Science, K.U.Leuven)