We present a model of mesoparticles, very much in the Dissipative Particle Dynamics spirit, in which a molecule is replaced by a particle with an internal thermodynamic degree of freedom (temperature or energy). The model is shown to give quantitavely accurate results for the simulation of shock waves in a crystalline polymer, and opens the way to a reduced model of detonation waves
There is a need for a unified simulation framework to simulate meso-scale response of HE materials. ...
Modern computers enable routine multimillion-atom molecular dynamics simulations of shock propagatio...
International audienceFour different types of macroscopic models developed for the vibration-chemist...
International audienceWe present a mesoscopic model for reactive shock waves, which extends a previo...
We present a mesoscopic model for reactive shock waves, which extends the model proposed in G. Stolt
An extension of the model described in a previous work of Maillet, Soulard and Stoltz based on a Dis...
We introduce a framework for model reduction of polymer chain models for dissipative particle dynami...
The structure of a self-sustained detonation wave in solid energetic materials was studied using mol...
Detonation of a three-dimensional reactive nonisotropic molecular crystal is modeled using molecular...
International audienceAn extension of the model described in a previous work (see Maillet J. B. et a...
We use a recently developed thermodynamically accurate mesodynamical method (Strachan and Holian 200...
Computer molecular dynamics has been used to study the time evolution of the energy of diatomic mole...
We investigate the ignition and dynamics of detonation waves in condensed phase explosives using dir...
Large-scale molecular dynamics simulations using a REBO (reactive empirical bond-order) model potent...
The major goal of this PhD project is to investigate the fundamental properties of energetic materia...
There is a need for a unified simulation framework to simulate meso-scale response of HE materials. ...
Modern computers enable routine multimillion-atom molecular dynamics simulations of shock propagatio...
International audienceFour different types of macroscopic models developed for the vibration-chemist...
International audienceWe present a mesoscopic model for reactive shock waves, which extends a previo...
We present a mesoscopic model for reactive shock waves, which extends the model proposed in G. Stolt
An extension of the model described in a previous work of Maillet, Soulard and Stoltz based on a Dis...
We introduce a framework for model reduction of polymer chain models for dissipative particle dynami...
The structure of a self-sustained detonation wave in solid energetic materials was studied using mol...
Detonation of a three-dimensional reactive nonisotropic molecular crystal is modeled using molecular...
International audienceAn extension of the model described in a previous work (see Maillet J. B. et a...
We use a recently developed thermodynamically accurate mesodynamical method (Strachan and Holian 200...
Computer molecular dynamics has been used to study the time evolution of the energy of diatomic mole...
We investigate the ignition and dynamics of detonation waves in condensed phase explosives using dir...
Large-scale molecular dynamics simulations using a REBO (reactive empirical bond-order) model potent...
The major goal of this PhD project is to investigate the fundamental properties of energetic materia...
There is a need for a unified simulation framework to simulate meso-scale response of HE materials. ...
Modern computers enable routine multimillion-atom molecular dynamics simulations of shock propagatio...
International audienceFour different types of macroscopic models developed for the vibration-chemist...
DOI
Add to ORKG