2016
DOI: 10.1016/j.cma.2015.10.006
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Stochastic continuum modeling of random interphases from atomistic simulations. Application to a polymer nanocomposite

Abstract: This paper is concerned with the probabilistic multiscale analysis of polymeric materials reinforced by nanoscopic fillers. More precisely, this work is devoted to the stochastic modeling and inverse identification of the random field associated with the elastic properties in the so-called interphase region. For illustration purposes, a prototypical polymer system reinforced by a Silica nanoscopic inclusion is considered. Molecular Dynamics (MD) simulations are first performed and used to characterize the conf… Show more

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Cited by 64 publications
(41 citation statements)
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References 70 publications
(88 reference statements)
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“…The main idea of the Monte Carlo method is to repeat realizations randomly in the input space and then calculate the corresponding output through the simulation model [33,34]. Therefore, this numerical technique exhibits a high ability in parallel computing [35][36][37][38]. A concept of using the Monte Carlo method is presented in Figure 4, involving a two-dimensional input space with a typical probability distribution.…”
Section: Monte Carlo Simulationsmentioning
confidence: 99%
“…The main idea of the Monte Carlo method is to repeat realizations randomly in the input space and then calculate the corresponding output through the simulation model [33,34]. Therefore, this numerical technique exhibits a high ability in parallel computing [35][36][37][38]. A concept of using the Monte Carlo method is presented in Figure 4, involving a two-dimensional input space with a typical probability distribution.…”
Section: Monte Carlo Simulationsmentioning
confidence: 99%
“…On the other hand, lower RMSE and MAE indicate a better model [85,86]. The formulas are defined as follow [87][88][89][90]:…”
Section: Performance Indicatorsmentioning
confidence: 99%
“…This section is devoted to the stochastic modeling and to the inverse identification presented in [119,120] related to the random field associated with the elastic properties in the interphase region between the polymer and a silicon nano-inclusion inserted in the polymer, for a polymer system reinforced by a Silica nanoscopic inclusion. This application gives an interesting illustration of the use of − the advanced prior stochastic model of the apparent elasticity random field with a given symmetry class, presented in Section 10.7.3.…”
Section: Stochastic Continuum Modeling Of Random Interphases From Atomentioning
confidence: 99%