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- Material Point Method (1)
- Physiksimulation (1)
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The Material Point Method (MPM) has proven to be a very capable simulation method in computer graphics that is able to model materials that were previously very challenging to animate [1, 2]. Apart from simulating singular materials, the simulation of multiple materials that interact with each other introduces new challenges. This is the focus of this thesis. It will be shown that the self-collision capabilities of the MPM can naturally handle multiple materials interacting in the same scene on a collision basis, even if the materials use distinct constitutive models. This is then extended by porous interaction of materials as in[3], which also integrates easily with MPM.It will furthermore be shown that regular single-grid MPM can be viewed as a subset of this multi-grid approach, meaning that its behavior can also be achieved if multiple grids are used. The porous interaction is generalized to arbitrary materials and freely changeable material interaction terms, yielding a flexible, user-controllable framework that is independent of specific constitutive models. The framework is implemented on the GPU in a straightforward and simple way and takes advantage of the rasterization pipeline to resolve write-conflicts, resulting in a portable implementation with wide hardware support, unlike other approaches such as [4].
Molecular dynamics (MD) as a field of molecular modelling has great potential to revolutionize our knowledge and understanding of complex macromolecular structures. Its field of application is huge, reaching from computational chemistry and biology over material sciences to computer-aided drug design. This thesis on one hand provides insights into the underlying physical concepts of molecular dynamics simulations and how they are applied in the MD algorithm, and also briefly illustrates different approaches, as for instance the molecular mechanics and molecular quantum mechanics approaches.
On the other hand an own all-atom MD algorithm is implemented utilizing and simplifying a version of the molecular mechanics based AMBER force field published by \big[\cite{cornell1995second}\big]. This simulation algorithm is then used to show by the example of oxytocin how individual energy terms of a force field function. As a result it has been observed, that applying the bond stretch forces alone caused the molecule to be compacted first in certain regions and then as a whole, and that with adding more energy terms the molecule got to move with increasing flexibility.