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.

1.
R. M.
Martin
,
Nature
400
,
117
(
1999
).
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
).
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
).
You do not currently have access to this content.