What should the density of amorphous solids be?
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Cui, Xiangyuan
Ringer, Simon P.
Wang, Gang
Stachurski, Zbigniew
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American Institute of Physics (AIP)
Abstract
A survey of published literature reveals a difference in the density of amorphous and crystalline solids (organic and inorganic) on the order
of 10%-15%, whereas for metallic alloys, it is found to be typically less than 5%. Standard geometric models of atomic packing can account
for the polymeric and inorganic glasses without requiring changes in interatomic separations (bond lengths). By contrast, the relatively small
difference in density between crystalline and glassy metals (and metallic alloys) implies variations in interatomic separations due to merging
orbitals giving rise to reduced atomic volumes. To test this hypothesis, quantum density functional theory computations were carried out on
ordered and irregular clusters of aluminum. The results point to decreasing interatomic distances with decreasing coordination, from which
one can deduce that the geometrical method of random hard sphere packing significantly underestimates the densities of amorphous metallic
alloys.
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Journal of Chemical Physics
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