R. Zugic et al., EFFECT OF POROSITY ON THE ELASTIC RESPONSE OF BRITTLE MATERIALS - AN EMBEDDED-ATOM METHOD APPROACH, Philosophical magazine. A. Physics of condensed matter. Structure, defects and mechanical properties, 75(4), 1997, pp. 1041-1055
The values for Young's modulus of porous single-crystal Ni in the [100
] and [111] directions are computed using the embedded-atom method (EA
M). Both pore volume fraction and pore size (defined by ratio S/R of t
he flaw size to pore radius) are varied. A reduction in Young's modulu
s with increasing pore volume fraction and with increasing S/R ratio i
s observed in the EAM simulations, in good agreement with a recent the
oretical model proposed by Krstic and Erickson. A porous Sigma = 5, [1
00] grain boundary also demonstrates a marked reduction in Young's mod
ulus compared with the pore-free Sigma = 5, [100] grain boundary. Thes
e results suggest that recent literature values demonstrating greatly
reduced Young's modulus for some nanocrystalline materials (compared w
ith conventional polycrystalline materials) may be a consequence of re
sidual porosity in the material. Poisson's ratio is calculated for ali
gned pores with stress applied in the [100] direction. The crack-openi
ng displacement is qualitatively and quantitatively confirmed for pore
s containing annular flaws.