We report on a density functional theory based study of a novel structural rotation of single-crystal aluminum (Al) under uniaxial compression. It was found that under strains either along the 〈112〉 or the 〈111〉 direction, beyond a critical stress of about 13 GPa, the Al crystal can rotate through shear in the Shockley partial direction on the {111} plane, to relieve internal stresses. This phenomenon reveals a new mechanism leading to the onset of homogeneous dislocation nucleation in face-centered-cubic materials under high uniaxial compressions.
REFERENCES
1.
2.
J. A.
Moriarty
and A. K.
McMahan
, Phys. Rev. Lett.
48
, 809
(1982
).3.
J. C.
Boetteger
and S. B.
Trickey
, Phys. Rev. B
53
, 3007
(1996
).4.
P. K.
Lam
and M. L.
Cohen
, Phys. Rev. B
27
, 5986
(1983
).5.
M. J.
Tambe
, N.
Bonini
, and N.
Marzari
, Phys. Rev. B
77
, 172102
(2008
).6.
I. A.
Ovid’ko
, Science
295
, 2386
(2002
).7.
Y. B.
Wang
, B. Q.
Li
, M. L.
Sui
, and S. X.
Mao
, Appl. Phys. Lett.
92
, 011903
(2008
).8.
I. A.
Ovid’ko
and A. G.
Sheinerman
, Appl. Phys. Lett.
98
, 181909
(2011
).9.
G.
Kresse
and J.
Furthmuller
, Phys. Rev. B
54
, 11169
(1996
).10.
J. P.
Perdew
, K.
Burke
, and M.
Ernzerhof
, Phys. Rev. Lett.
77
, 3865
(1996
).11.
P. E.
Blöchl
, Phys. Rev. B
50
, 17953
(1994
).12.
M.
Jahnátek
, J.
Hafner
, and M.
Krajčí
, Phys. Rev. B
79
, 224103
(2009
).13.
S. K.
Yadav
, R.
Ramprasad
, A.
Misra
, and X.-Y.
Liu
, J. Appl. Phys.
111
, 083505
(2012
).14.
L.
Li
, J.-L.
Shao
, S.-Q.
Duan
, and J.-Q.
Liang
, Chin. Phys. B
20
, 046402
(2011
).© 2012 American Institute of Physics.
2012
American Institute of Physics
You do not currently have access to this content.
