Skip to Main content Skip to Navigation
Theses

Development of new numerical integration schemes for multiscale coarse-graining methods

Abstract : This thesis is about the development and analysis of numerical schemes for the integration of the Dissipative Particle Dynamics with Energy conservation. A presentation and a weak convergence analysis of existing schemes is performed, as well as the introduction and a similar analysis of two new straightforwardly parallelizable schemes. The energy preservation properties of all these schemes are studied followed by a comparative study of their biases on the estimation of the average values of physical observables on equilibrium simulations. The schemes are then tested on shock simulations of DPDE fluids, where we show that our schemes bring an improvement on the accuracy of the description of the behavior of such systems compared to existing straightforwardly parallelizable schemes. Finally, we present an attempt at accelerating a reference DPDE integration scheme on sequential simulations.
Complete list of metadatas

https://pastel.archives-ouvertes.fr/tel-01343764
Contributor : Ahmed-Amine Homman <>
Submitted on : Saturday, July 9, 2016 - 6:06:26 PM
Last modification on : Tuesday, May 30, 2017 - 11:09:43 AM

Identifiers

  • HAL Id : tel-01343764, version 1

Collections

Citation

Ahmed-Amine Homman. Development of new numerical integration schemes for multiscale coarse-graining methods . Mathematical Physics [math-ph]. Paris-Est, 2016. English. ⟨tel-01343764v1⟩

Share

Metrics

Record views

209

Files downloads

124