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@ARTICLE{Hter:810241,
author = {Hüter, Claas and Friák, Martin and Weikamp, Marc and
Neugebauer, Jörg and Goldenfeld, Nigel and Svendsen, Bob
and Spatschek, Robert},
title = {{N}onlinear elastic effects in phase field crystal and
amplitude equations: {C}omparison to ab initio simulations
of bcc metals and graphene},
journal = {Physical review / B},
volume = {93},
number = {21},
issn = {2469-9950},
address = {College Park, Md.},
publisher = {APS},
reportid = {FZJ-2016-03101},
pages = {214105},
year = {2016},
abstract = {We investigate nonlinear elastic deformations in the phase
field crystal model and derived amplitude equation
formulations. Two sources of nonlinearity are found, one of
them is based on geometric nonlinearity expressed through a
finite strain tensor. This strain tensor is based on the
inverse right Cauchy-Green deformation tensor and correctly
describes the strain dependence of the stiffness for
anisotropic and isotropic behavior. In isotropic one- and
two-dimensional situations, the elastic energy can be
expressed equivalently through the left deformation tensor.
The predicted isotropic low-temperature nonlinear elastic
effects are directly related to the Birch-Murnaghan equation
of state with bulk modulus derivative K′=4 for bcc. A
two-dimensional generalization suggests K′2D=5. These
predictions are in agreement with ab initio results for
large strain bulk deformations of various bcc elements and
graphene. Physical nonlinearity arises if the strain
dependence of the density wave amplitudes is taken into
account and leads to elastic weakening. For anisotropic
deformation, the magnitudes of the amplitudes depend on
their relative orientation to the applied strain.},
cin = {IEK-2},
ddc = {530},
cid = {I:(DE-Juel1)IEK-2-20101013},
pnm = {111 - Efficient and Flexible Power Plants (POF3-111)},
pid = {G:(DE-HGF)POF3-111},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000377299100002},
doi = {10.1103/PhysRevB.93.214105},
url = {https://juser.fz-juelich.de/record/810241},
}