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Macroscopic Simulation of Deformation in Soft Microporous Composites

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Academic year: 2021

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Figure 1: (a) Density functional theory (DFT) methods are employed to relate atomistic strains to a periodic lattice and, in the present work, we have used finite element methods (FEM) to extend this description to the macroscopic scale of an entire crysta
Figure 2: (a) The model system used by Neimark and coworkers to represent a composite material
Table 1: Material properties of the adsorbent and three encapsulating matrix materials con- con-sidered in this investigation.
Figure 4: (a) Illustration and dimensions of one realization of the MMM model used in this study
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