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Nano tools for macro problems: multiscale molecular ... - SFGP

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From beads … to micro: fixed grid<br />

• Geometry: map cubes to Palmyra<br />

tetrahedrons<br />

• Laplace equation is solved <strong>for</strong><br />

electric conductance,<br />

diffusion and permeability<br />

• Local de<strong>for</strong>mation allow the<br />

calculation of mechanical<br />

properties<br />

Atomistic<br />

Mesoscale<br />

Fixed grid<br />

Variable grid<br />

Physical Prop.<br />

InMother 2012<br />

Lyon, 20 April 2012 - 15

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