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amorphous porous Silicon
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Topic: amorphous porous Silicon (Read 2497 times)
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marmotte
Heavy QuantumATK user
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amorphous porous Silicon
«
on:
October 9, 2012, 23:08 »
Dear all,
Is it possible to construct a unit cell of an amorphous porous Silicon using ATK ?
I will appreciate suuggestions/help
Best regards,
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zh
Supreme QuantumATK Wizard
Posts: 1141
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Re: amorphous porous Silicon
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Reply #1 on:
October 10, 2012, 01:05 »
It is impossible to construct an amorphous porous silicon simply using the "Builder" tool, because such system does not have periodic condition and well-defined structure. A feasible way is to run a melting-quench procedure of molecular dynamics.
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Last Edit: October 10, 2012, 02:17 by zh
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amorphous porous Silicon