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We present an effective and simple multiscale method for equilibrating Kremer Grest model polymer melts of varying stiffness. In our approach, we progressively equilibrate the melt structure above the tube scale, inside the tube and finally at the monomeric scale. We make use of models designed to be computationally effective at each scale. Density fluctuations in the melt structure above the tube scale are minimized through a Monte Carlo simulated annealing of a lattice polymer model. Subsequently the melt structure below the tube scale is equilibrated via the Rouse dynamics of a force-capped Kremer-Grest model that allows chains to partially interpenetrate. Finally the Kremer-Grest force field is introduced to freeze the topological state and enforce correct monomer packing. We generate 15 melts of 500 chains of 10.000 beads for varying chain stiffness as well as a number of melts with 1.000 chains of 15.000 monomers. To validate the equilibration process we study the time evolution of bulk, collective, and single-chain observables at the monomeric, mesoscopic, and macroscopic length scales. Extension of the present method to longer, branched, or polydisperse chains, and/or larger system sizes is straightforward.
Engineers are of particular importance for the societies of tomorrow. The big social challenges society has to cope with in future, can only be mastered, if engineers link the development and innovation process closely with the requirements of people. As a result, in the frame of the innovation process engineers have to design and develop products for diverse users. Therefore, the consideration of diversity in this process is a core competence engineers should have. Implementing the consideration of diverse requirements into product design is also linked to the development of sustainable products and thus leads to social responsible research and development, the core concept formulated by the EU.
For this reason, future engineers should be educated to look at the technical perspectives of a problem embedded in the related questions within societies they are developing their artefacts for. As a result, the aim of teaching engineering should be to prepare engineers for these requirements and to draw attention to the diverse needs in a globalized world.
To match the competence profiles of future engineers to the global challenges and the resulting social responsibility, RWTH Aachen University, one of the leading technical universities in Germany, has established the bridging professorship “Gender and Diversity in Engineering” (GDI) which educates engineers with an interdisciplinary approach to expand engineering limits. The interdisciplinary teaching concept of the research group pursues an approach which imparts an application oriented Gender and Diversity expertise to future engineers. In the frame of an established teaching concept, which is a result of experiences and expertise of the research group, students gain theoretical knowledge about Gender and Diversity and learn how to transfer their knowledge into their later field of action.
In the frame of the conference the institutional approach will be presented as well as the teaching concept which will be introduced by concrete course examples.
20 Years of RoboCup
(2016)
Smoothed Finite Element Methods for Nonlinear Solid Mechanics Problems: 2D and 3D Case Studies
(2016)
The Smoothed Finite Element Method (SFEM) is presented as an edge-based and a facebased techniques for 2D and 3D boundary value problems, respectively. SFEMs avoid shortcomings of the standard Finite Element Method (FEM) with lower order elements such as overly stiff behavior, poor stress solution, and locking effects. Based on the idea of averaging spatially the standard strain field of the FEM over so-called smoothing domains SFEM calculates the stiffness matrix for the same number of degrees of freedom (DOFs) as those of the FEM. However, the SFEMs significantly improve accuracy and convergence even for distorted meshes and/or nearly incompressible materials.
Numerical results of the SFEMs for a cardiac tissue membrane (thin plate inflation) and an artery (tension of 3D tube) show clearly their advantageous properties in improving accuracy particularly for the distorted meshes and avoiding shear locking effects.
Rubber materials filled with reinforcing fillers display nonlinear rheological behavior at small strain amplitudes below γ0 < 0.1. Nevertheless, rheological data are analyzed mostly in terms of linear parameters, such as shear moduli (G′, G″), which loose their physical meaning in the nonlinear regime. In this work styrene butadiene rubber filled with carbon black (CB) under large amplitude oscillatory shear (LAOS) is analyzed in terms of the nonlinear parameter I3/1. Three different CB grades are used and the filler load is varied between 0 and 70 phr. It is found that I3/1(φ) is most sensitive to changes of the total accessible filler surface area at low strain amplitudes (γ0 = 0.32). The addition of up to 70 phr CB leads to an increase of I3/1(φ) by a factor of more than ten. The influence of the measurement temperature on I3/1 is pronounced for CB levels above the percolation threshold.