Simulations de fluides complexes à l'échelle mésoscopique sur GPU

Abstract : Colloïdal suspensions have been studied by means of numerical simulation, using two physical models : Brownian dynamics and Stochastic Rotation Dynamics - Molecular Dynamics. These studies consist in parallizing colloïdal simulations from previous studies on GPU, and find some new optimisations for these specific simulations. An improvement of the neigborhood search has been implemented in all our BD type simulations. A SRD-MD with force coupling have been implemented for the first time in the literature, using a new decomposition scheme, which improves significantly its performances. Then, theses simulations have been adapted to study more complex colloidal suspensions : an interfacial heteroaggregation of colloidal suspensions, a heteroaggregation between two types of particles with a large size ratio, and outside this context, a nanoalloy simulation. Finally, the SRD model has been adapted to realistic fluid animtion from computer science context. Theses adaptations require to add to SRD model, the notion of compressibility and surface tension. First results have been released, like a pouring water into a glass simulation.
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Công Tâm Tran. Simulations de fluides complexes à l'échelle mésoscopique sur GPU. Chimie théorique et/ou physique. Université de Limoges, 2018. Français. ⟨NNT : 2018LIMO0024⟩. ⟨tel-01827281⟩

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