ApplicationofContinuumMechanicstoNanoscale

By:JoshuaRosen
Introduction
With the discovery of carbon nanotubes, the ability to accurately model and predict their
behavior is generating considerable interest. This is mainly due in part to the ability of the carbon
nanotubetowithstandgreattensilestrength(upwardsof100GPa)andthefactthatthenanotubehas
an extremely high Youngs modulus (approximately 1 TPa). Continuum mechanics cannot be directly
appliedtothesenanotubesandothernanomaterialsastheyformadiscontinuousmedium.However,
work is currently being done, such as intermediate truss steps, scale factors, etc. in order to apply the
continuummechanicshypothesistothenanoscale.
Early modeling of the macroscopic physical properties of carbon nanotubes, such as Youngs
modulusandPoissonsratiowasaccomplishedthroughtheassumptionofauniformwallthickness[1].
This wall thickness was assumed to be 0.34 nm, or the thickness of interplaner spacing of two
grapheme sheets. This method however, does not properly show the effective thickness as will be
shownlater.Otherearlycontinuummodelingtechniquesassumedthatthetubetobeasolidcylinder.
Thisalsoprovedineffectiveasitcouldnotdifferentiatebetweensingleandmultiwallednanotubes[1].
It is clear something must be done in order to successfully apply continuum mechanics to the nano
scale.
ScaleFactor
One method of applying the continuum mechanics hypothesis to the nano scale is through the
use of a scale factor [2]. When studying nano scaled materials, one thing to note is that the ratio of
surfaceareatovolumeismuchgreaterwhencomparedtothesamemacroscaledmaterial.Therefore,
thesurfaceeffectsplayamuchgreatereffectontheoverallbehaviorthanwouldnormallybeexpected.
Fortunatelyascalefactorhasbeendevelopedinordertogofrommacrotomicroscale.Thescalefactor
hastheform:
H(L)
H()
= 1 +
1
L
(o
k
l
x
+ [

)
Where H(L) is the physical property
corresponding to length L and H() is the
same property when the surface effect is
extremelysmall.Furthermore,andare
constants while l

and l

are the two

intrinsic surface elastic constants for an
isotropic material [2]. The accuracy of the
scalefactorcanbeseenthroughfigure1.

Molecular/ContinuumModelingHybrid
Another method to model nano scale objects, particularly, carbon nanotubes has been
developed by Gregory Odegard, et al. Odegard proposed a three step method which starts with
molecular modeling, then
develops a pinjoint truss
model and finally finishes
with continuum modeling
[1](figure2).
ThefirststepinOdegards
methodisrunmolecularmechanicsonmaterialinquestion.Thismolecularmodelisdevelopedinorder
Figure2 OdegardModelingMethod
Figure1 ExactsolutionvsScalingfactor
to determine the equilibrium bond angles and bond length between the individual atoms. Once this
step is accomplished, an intermediate pinjointed truss model is created in order to represent the
molecularmodel[1].
Thetrussmembersinthemodelrepresenttheinteratomicbondsaswellasotherinteratomic
forces. Typically, two different types of truss segments are used in this model. One truss segment is
used to represent the interatomic bonds while the other type of truss segment is used to model the
interatomicforces.Thismodelcanbeusedastypicallywhenmodelingmoleculestheindividualatoms
areseenasmassesheldtogetherviaelasticsprings[1].Thefinalstepinthismethodistheapplication
ofcontinuummechanicsbyconversionofthetrussmodelintoacontinuousplatewithfinitethickness.
Odegardappliedfourrulestothecontinuumdevelopedfromthetrussmodel.
1) Trusslatticeswithpinnedjointsaremodeledasclassicalcontinuawheremicropolar
continuumassumptionsarenotnecessary.
2) Localdeformationsareaccountedfor.
3) The temperature distribution, loading, and boundary conditions of the continuum
modelsimulatethoseofthetrussmodel.
4) TheSameamountofthermoelasticstrainenergyisstoredinthetwomodelswhen
deformedbyidenticalstaticloadingconditions.[1]
Once the truss model and
the continuum model are
linked via the above rules,
thefinalstepistodetermine
a uniform thickness for the
continuum. This is
accomplished through the
application of the boundary
Figure3ContinuumModelvsMolecularModel
conditions.Fromhismodel,Odegardfoundresults muchdifferent thanwhatwaspreviouslybelieved.
Asstatedpreviously,thecommonbeliefwasthatthewallthicknessforthecarbonnanotubewas0.34
nm. However, through the application of Odegards method, the wall thickness was found to be 0.69
nm.
Conclusion
Theapplicationofreliablemodelstonanoscalematerialsisextremelyimportantduetothe
strengthanddurabilitythesematerialsoffer.Unfortunately,duetotheirsmallsizeinteratomicforces
anddiscontinuitiesarise,makingitdifficulttoapplythecontinuummechanicshypothesis.Workis
currentlybeingaccomplishedinordertodevelopcontinuummechanicmodelstonanoscalematerials.
TwosuchmethodswhichcurrentlyshowpromiseisthethreesteptrussprocessdevelopedbyOdegard
andthescalefactormethod.However,furtherworkmustbeaccomplishedineachofthese.
Reference
[1] Odegard,G.,Gates,T.Nicholson,L.&Wise,K.(2002)EquivalentcontinuumModelingofNano
StructuredMaterials.CompositesScienceandTechnology.Vol62:18691880
[2] Wang,J.,Karihaloo,B.L.,&Duan,H.L.(2007)Nanomechanicsorhowtoextendcontinuum
mechanicstonanoscale.BulletinofthePolishAcademyofSciencesTechnicalSciences.Vol.55,
No.2,2007:133140