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The main objective of this article is to investigate the stability and size-dependency of CB hypothesis in three-dimensional applications by direct comparison of information between atomistic and continuous description of a medium.
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This model bridges between atomistic and continuum simulation techniques as it operates on diffusive timescales but at atomistic length scales.
The differentiation between atomistic and coarse-grain dynamics is then achieved solely based on the type of force field used.
It is therefore inevitable to adopt a mesoscopic simulation technique and bridge the gap between atomistic and mesoscopic simulations for an effective material design.
In this paper, we present a hierarchical procedure for bridging the gap between atomistic and macroscopic modeling passing through mesoscopic simulations.
Simulations of liquid argon have also been performed using a one-to-one mapping between atomistic and CG sites.
In these serial approaches, there is no direct link between atomistic and CG particles.
It reminds me of the difference between continual and continuous.
Figure 5 illustrates the comparison between atomistic simulation and model (for impact speeds of 40 to 90 m/s), with good agreements.
We have shown that the discrepancies between atomistic simulations and continuum predictions increase as the wall/epoxy interaction strength reduces.
Particular challenges are identified in the realm between atomistic simulations and the scale of dislocation substructure formation in establishing next generation constitutive models.
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