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This is an Accep ed Manusc ip o an a icle published by Else ie
In Mechanics o Ma e ials, Vol. 151, on Decembe 2020, a ailable
a : h ps://doi.o g/10.1016/j.mechma .2020.103604
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Analy ical exp essions o es ima e he e ec i e
piezoelec ic enso o a ex u ed polyc ys al o any
c ys al symme y
Julie a L. Bu oni
Facul ad de Ciencias Exac as y Na u ales, Uni e sidad Nacional de Ma del Pla a,
Deán Funes 3350, B7602AYL, Ma del Pla a, A gen ina
Fede ico C. Bu oni
E-mail: [email p o ec ed]
Depa men o Mechanical Enginee ing and Manu ac u ing, Uni e sidad de Se illa,
Camino de los Descub imien os s/n, 41092, Se ille, Spain
Ad ián P. Cisilino
INTEMA & Depa men o Mechanical Enginee ing, Uni e sidad Nacional de Ma del
Pla a & CONICET, A . Juan B. Jus o 4302, B7608FDQ Ma del Pla a, A gen ina
Rode ick Melnik
MS2 Disco e y In e disciplina y Resea ch Ins i u e, Wil id Lau ie Uni e si y, 75
Uni e si y A e W, Wa e loo, On a io, Canada N2L 3C5
Luis Rod íquez-Tembleque and And és Sáez
Depa men o Con inuum Mechanics and S uc u al Analysis, Uni e sidad de
Se illa, Camino de los Descub imien os s/n, Se ille E-41092, Spain
Abs ac . This wo k in oduces a se o analy ical exp essions ha simpli ies he
p ocedu e o ob aining closed- o m o mulas o es ima e he e ec i e piezoelec ic
p ope ies o polyc ys alline agg ega es o med by c ys als o all he 21 non-
cen osymme ical classes and wi h a bi a y ex u es. The exp essions a e de i ed
om o ien a ional a e ages o hi d-o de piezoelec ic enso s o he indi idual c ys als
ha a e weigh ed by o ien a ional dis ibu ion unc ions. The a e aging is done by
using gene alized sphe ical ha monic se ies expansions. Imp o emen s wi h espec o
p e ious wo ks in he li e a u e a e wo old: all c ys al symme ies a e conside ed and
no symme y es ic ions a e imposed o ex u e. The e sa ili y o he in oduced
exp essions is demons a ed on an example o BaTiO3polyc ys als wi h uniaxial and
biaxial ex u es cha ac e ized by single and double Gaussian dis ibu ions, espec i ely.
The esul s o uniaxial ex u e a e in pe ec ag eemen wi h he esul s published in
he li e a u e. The biaxial ex u e is discussed in de ail and analyzed o a se o
limi ing cases.
Manusc ip File Click he e o iew linked Re e ences
A e aging piezoelec ic hi d-o de enso s 2
1. In oduc ion
Piezoelec ic ce amics (Uchino, 2017) a e gene ally used in he o m o a collec ion
o pe ec ly bonded piezoelec ic c ys als wi h a la ge numbe o dis inc pola iza ion
o ien a ions. Mac oscopic piezoelec ic p ope ies o he ma e ial a e go e ned by
his mic oscopic inhomogeneous c ys al mo phology. When he ma e ial is an
agg ega e o andomly o ien ed piezoelec ic c ys als, no ne pola iza ion is ealized
and so he ma e ial is no mac oscopically piezoelec ic. To achie e mac oscopic
piezoelec ic p ope ies, he indi idual c ys als mus ha e a p e e en ial o ien a ion.
Gene ally, piezoelec ic p ope ies exhibi la ge aniso opy, which is an a ac i e ea u e
o ma e ial design. P e e ed o ien a ion o he c ys allog aphic domains can be
accomplished by con olling g ow h pa ame e s du ing ab ica ion (Kim e al., 2006)
o by subjec ing he ma e ial o a la ge elec ic ield a high empe a u e (Li e al.,
2005).
Op imiza ion me hods can be used o design ma e ials speci ic piezoelec ic
p ope ies by ailo ing hei o ien a ion dis ibu ion ( ex u e). In he amewo k o
he implemen a ion o an op imiza ion algo i hm, Fini e Elemen Analysis (FEA)
is a e sa ile ool o compu e e ec i e piezoelec ic p ope ies ( he op imiza ion
objec i e unc ion) by means o a nume ical homogeniza ion app oach, see o ins ance
Jayachand an e al. (2011). Howe e , closed- o m analy ical exp essions o e ec i e
piezoelec ic p ope ies a e always p e e able o e he FEA homogeniza ion app oach,
as hey simpli y implemen a ions and speed up calcula ions.
E ec i e piezoelec ic p ope ies can be es ima ed by a e aging he p ope ies o
single c ys als in he agg ega e aking in o accoun mac oscopic ex u e. To calcula e
he e ec i e p ope ies o a polyc ys al, he bes a e aging me hod is he sel -consis en ,
ex ended o piezoelec ic polyc ys als by Li (2000). Howe e his me hod equi es
compu a ion o piezoelec ic Eshelby enso which in ol es, in gene al, nume ical
in eg a ion. On he o he hand, he e a e he simple olume a e aging app oaches,
like he Voig model (see Li and Dunn (2001)), which a e a ac i e because hey allow
o deduce closed- o m exp essions o he e ec i e p ope ies. In pa icula , he Voig
model assumes uni o m s ain and elec ic ields in he c ys alli es. This assump ion is
alid o piezoelec ic polyc ys als wi h ibe ex u es unde ce ain condi ions (see Li e
al. (1999)) o which exac es ima es o some o he elec oelas ic moduli esul . Wo king
in he con ex o ibe ex u e, Li e al. (1999) and Li (2000) compu ed Voig -Reuss
es ima ions o he elec oelas ic moduli o polyc ys als by app oaching he p oblem wi h
gene alized sphe ical ha monics. Speci ically, Li e al. (1999) conside ed ibe ex u e
o o ho hombic single c ys als belonging o class symme y 2mm, which includes as
pa icula cases classes o e agonal 4mm and hexagonal 6mm symme ies (see Nye’s
book (Nye, 1985)). An in e es ing inding by Li (2000) was ha agg ega es o 4mm
c ys als o ba ium i ana e (BaTiO3) wi h hei o ien a ions a ound he pola iza ion
di ec ion cha ac e ized by a Gaussian dis ibu ion p esen an ampli ica ion e ec o he
piezoelec ic coupling wi h espec o he single c ys al p ope ies. Recen ly, some o he
A e aging piezoelec ic hi d-o de enso s 3
au ho s o he p esen wo k ha e used he Li’s amewo k o modelling mode n lead- ee
piezocomposi es o ind in e es ing beha iou s a ibu able o such ampli ica ion e ec
o he polyc ys alline phase (K ishnaswamy e al., 2019a,b, 2020a,b,c).
P e ious wo ks add ess only o ho hombic c ys al symme y wi h ans e sely
iso opic ex u e. This wo k p esen s a comp ehensi e app oach o de i e closed-
o m exp essions o he es ima ion o he e ec i e piezoelec ic s ess enso o c ys al
agg ega es o any symme y and gene al ex u e. The p oposed app oach is based on
he p e ious wo ks by Li e al. in he use o gene alized sphe ical ha monics expansion
and ex ends he ideas by Bunge (1982) and Roe (1965) among o he s, om elas ici y
o piezoelec ici y.
The de i ed analy ical exp essions a e e i ied and hei e sa ili y demons a ed
h ough a s udy p oblem consis ing in a polyc ys alline agg ega e o BaTiO3wi h a ious
o ien a ional dis ibu ion unc ions. I is shown how he gene al exp essions in oduced
in his wo k can be educed o hose esul s by Li (2000) o speci ic cases.
The epea ed index con en ion o addi ion is used in his wo k. Explici sums a e
indica ed in exp essions when deemed con enien o he sake o cla i y.
2. P elimina ies
We conce n wi h he compu a ion o he aniso opic elec omechanical coupling o
polyc ys al piezoce amics om he p ope ies o single c ys alli es and hei o ien a ions.
A simple app oxima ion o compu e his coupling is h ough he olume a e age o he
hi d-o de piezoelec ic s ess enso eijk, which sa is ies eijk =eikj (i, j, k =1...3).
Since in his case eijk depends only on he c ys al o ien a ion g(xi)(i=1...3) a
each poin x, he in eg a ion o e a ep esen a i e olume elemen Vcan be ca ied
ou in wo s eps, as usual. We i s in eg a e o e all hose olume elemen s dVwi h
o ien a ion g, and hen o e all o ien a ions g, he eby he a e age enso is compu ed
by
hei=8⇡2Ie(g)w(g)dg, (1)
whe e he unc ion w:SO(3) !R0–called O ien a ion Dis ibu ion Func ion
(ODF)– appea s as a weigh unc ion ha accoun s o he olume ic densi y o
c ys alli es o ien ed in dg. This Haa measu e dgis —a e no maliza ion— gi en
by dg=1/(8⇡2)sin✓d✓d dwhe e ( ,✓,)a e he Eule ’s angles. Then, he ODF is
no malized such as
8⇡2Iw(g)dg=1.(2)
The e o e, by exp essing he c ys al o ien a ion in e ms o ( ,⇠=cos✓,), he Voig
a e age becomes
hei=Z2⇡
0Z2⇡
0Z+1
1
e(⇠, ,)w(⇠, ,)d⇠d d,(3)
A e aging piezoelec ic hi d-o de enso s 4
No e ha he no maliza ion ac o 8⇡2abo e esul s in a iso opic ODF, wiso =1/(8⇡2)
(Bunge, 1982; Roe, 1965).
Among he di e en al e na i es, we adop he ollowing con en ion o speci y
o a ions h ough Eule ’s angles: one begins wi h he p incipal ma e ial coo dina e
sys em x0
i(i=1,2,3) ixed o he c ys al and wi h he axes being pa allel o hose o
he global coo dina e sys em xi(i=1,2,3); hen x0
i(i=1,2,3) is i s o a ed abou
he x0
3-axis h ough he angle ; he second o a ion is abou he x0
2-axis (in i s new
o ien a ion) h ough ✓and, inally, he hi d o a ion is again abou he x0
3-axis (in i s
new o ien a ion) h ough he angle . All posi i e o a ions a e in coun e clockwise
di ec ion.
The piezoelec ic componen s o e0 ixed o a c ys al can be exp essed in he global
coo dina e sys em xi(i=1,2,3) acco ding o he ans o ma ion law o hi d-o de
enso s
eijk(⇠, ,)=⌦
im⌦jn⌦koe0
mno =Timjnkoe0
mno,(4)
whe e ⌦– he ma ix ep esen a ion o he o ien a ion gin he Eule ’s space– is he
o hogonal ans o ma ion ma ix (SO(3)) gi en by
⌦=0
B
@
cos(✓)cos( )cos()sin( )sin()cos(✓)cos( )sin()sin( )cos()sin(✓)cos( )
cos(✓)sin( )cos()+cos( )sin()cos( )cos()cos(✓)sin( )sin()sin(✓)sin( )
sin(✓)cos()sin(✓)sin()cos(✓)
1
C
A.(5)
The six h-o de ma ix Timjnko condenses he iple enso p oduc ⌦im⌦jn⌦ko; i
possesses majo symme ies only (mino symme ies a e no p esen because ⌦is
nonsymme ic) gi en by he pe mu a ions o he disjoin cycles o indices
Cycles[(3 5)(4 6)],Cycles[(1 3)(2 4)],Cycles[(1 3 5)(2 4 6)].(6)
These symme ies allow a conside able educ ion in he numbe o componen s o Timjnko
o be compu ed. Thus, o he 729 componen s o Timjnko only 249 a e di e en .
Finally, he a e aging o equa ion (4) esul s in
heijk(⇠, ,)i=hTimjnkoe0
mnoi=hTimjnkoie0
mno,(7)
which shows ha he es ima ion o he e ec i e piezoelec ic enso o he polyc ys alline
agg ega e educes o inding he hTimjnkoi o he co esponding ODF.
In wha ollows, he p ime symbol will be d opped om he piezoelec ic cons an s
in he c ys al coo dina e sys em in o de o allow a cleane no a ion.
3. A e aging in e ms o gene alized sphe ical ha monic se ies expansions
Following Gel’ and e al. (1963), gene alized sphe ical ha monics o m a comple e
o hogonal basis o he Hilbe space L2(SO(3)), which is he se o all squa e in eg able
eal- alued unc ions on SO(3) wi h inne p oduc de ined by
(H1,H
2)=IH1(g)H⇤
2(g)dg, H1,H
22L2(SO(3)),(8)
A e aging piezoelec ic hi d-o de enso s 5
whe e ⇤deno es he complex conjuga e. Thus, a gene al eal unc ion H2L2(SO(3))
can be expanded in se ies o gene alized sphe ical ha monics. This is a use ul app oach
o e alua e he a e age o a gene al eal unc ion hHi. To do his, we expand bo h he
ODF w(⇠, ,)and H(⇠, ,)in o gene alized sphe ical ha monics se ies (Roe, 1965)
as ollows:
w(⇠, ,)=
1
X
l=0
l
X
m=l
l
X
n=l
WlmnZlmn(⇠)eim ein,(9)
and
H(⇠, ,)=
1
X
l=0
l
X
m=l
l
X
n=l
HlmnZlmn(⇠)eim ein,(10)
whe e i=p1and Zlmn(⇠)is a gene aliza ion o he Legend e associa ed unc ion Pmn
l
ha can be exp essed as
Zlmn(⇠)=i
nm 2l+1
2Pmn
l(⇠),(11)
being
Pmn
l(⇠)=
(1)lminm
2l(lm)! (lm)!(l+n)!
(l+m)!(ln)!1
2
⇥(1 ⇠)
(nm)
2
(1 + ⇠)(n+m)
2
dln
d⇠ln⇥(1 ⇠)lm(1 + ⇠)l+m⇤
.(12)
The associa ed Legend e unc ion Pmn
lcan be ei he eal o pu ely imagina y, acco ding
o whe he m+nis e en o odd, espec i ely. Consequen ly, Zlmn(⇠)is always eal-
alued.
The coe icien s o he expansions in (9) and (10) a e (Bunge, 1982; Kocks e al.,
2005)
Wlmn =1
4⇡2Z2⇡
0Z2⇡
0Z+1
1
w(⇠, ,)Zlmn(⇠)eim eind⇠d d,(13)
he so-called ex u e coe icien s, and
Hlmn =1
4⇡2Z2⇡
0Z2⇡
0Z+1
1
H(⇠, ,)Zlmn(⇠)eim eind⇠d d.(14)
No e ha all in o ma ion abou he ODF is con ained in he ex u e coe icien s, which
a e complex quan i ies sa is ying
Wlmn =(1)m+nW⇤
l¯m¯n,(15)
due o he symme y p ope ies o Zlmn(⇠)(Roe, 1965). In equa ion (15), ¯m=m.
F om he no maliza ion condi ion (2), i can be shown ha
W000 =1
4p2⇡2.(16)
In p ac ice, he no maliza ion o w(⇠, ,)is p e e ed by ensu ing (16) ins ead o (2).
A e aging piezoelec ic hi d-o de enso s 6
Expansion coe icien s Hlmn a e complex and ypically in ol e in eg a ion o simple
igonome ic unc ions (Hcon ains p oduc s o di ec ion cosines) and he gene alized
sphe ical ha monics. Thei analy ical exp essions can be ound once His speci ied.
Finally, he expansion o he a e age o a gene al eal unc ion hHi,is (Bunge,
1982; Kocks e al., 2005)
hHi=4⇡2
R
X
l=0
l
X
m=l
l
X
n=l
HlmnWlmn,(17)
whe e, om he unca ion heo em by Fe a i and Johnson (1988), R=3, he enso
ank o eijk. In ac , all coe icien s Hlmn a e ze o o l>3.
I is wo h o no e ha , unlike he wo ks by Li (2000); K ishnaswamy e al. (2019a);
Li e al. (1999), he p esen analysis does no imposed any es ic ion on Wlmn. In he
nex , we will use (17) o ob ain he exp essions o he a e age o a ion enso in (7),
which, in u n, will be used o compu e he e ec i e piezolec ic enso .
4. E ec i e piezoelec ic enso s o all c ys al symme ies
No e i s ha each o he componen s Timjnko a e eal unc ions Timjnko :SO(3) !R,
simila o unc ion H. Then, de i a ion o he exp essions o he a e age o a ion ma ix
in (7) can be pe o med ia exp ession (17). This me hodology in ol es he compu a ion
o he coe icien s Hlmn o each o hse 249 di e en componen s o Timjnko acco ding o
(14). This was done analy ically using Ma hema ica (2020). Due o space limi a ions,
he ull exp essions a e epo ed in Supplemen a y Ma e ial 1. All 249 componen s
a e necessa y in o de o conside a gene al case wi h any symme y.
Two sou ces o symme y a e conside ed when compu ing he a e age piezoelec ic
enso (7): he ones due o he c ys alli e s uc u es and he o he s due o he
ODF. No symme y es ic ions a e imposed on he ODF –and hence o he ex u e
coe icien s in (17)– in his wo k. In espec o he c ys alli e symme ies, all he
non-cen osymme ical classes (Nye, 1985) a e conside ed. The exp essions o (7)
o each o he 21 classes a e p esen ed in Supplemen a y Ma e ial 2. The heijki
in Supplemen a y Ma e ial 2 a e unc ions o he ex u e coe icien s Wlmn, which
a e necessa y o speci y o each case o analysis acco ding o he adop ed ODF. The
p ope y (15) has been used o p esen he exp essions o heijkiin eal o m. No e ha
om he 21 non-cen osymme ical classes only 20 a e piezoelec ic. Thus, he cubic
class 432 esul s in all componen s o heijkiiden ically ze o, no ma e wha he Wlmn
a e. Some o he piezoelec ic classes sha e he ma ix s uc u e educing he amoun
o exp essions as i can be obse ed in Supplemen a y Ma e ial 2.
Two supplemen a y ma e ials p o ide all he de ails o he main con ibu ion o
his wo k. The nex sec ion analyzes he e agonal 4mm class in de ail.
A e aging piezoelec ic hi d-o de enso s 7
5. S udy p oblem: Te agonal class 4mm
The heo y in oduced abo e is applied o he analysis o polyc ys alline agg ega e o
BaTiO3in o de o e i y and illus a e he de i ed esul s. Ba ium i ana e is bo h
a lead- ee ma e ial (Sai o e al., 2004) and en i onmen ally iendly in i s p ocessing
(Ibn-Mohammed e al., 2017). In e es ing no el applica ions (Wang e al. (2018) among
o he s) ha e been p oposed while BaTiO3-based composi es can be ab ica ed in a
scalable manne using eme ging addi i e manu ac u ing me hods (Kim e al., 2017,
2019; Pha ha apee anun e al., 2017). Li (2000), among o he s (see o example (Li e
al., 1999; Ruglo sky e al., 2006)), has s udied he a e age piezoelec ic p ope ies o
BaTiO3polyc ys alline agg ega es.
The BaTiO3c ys al belongs o he poin g oup class 4mm, wi h hei piezoelec ic
cons an s lis ed in Table 1 (Li, 2000). Thus, he exp essions o he a e age componen s
heijmi o he e agonal symme y a e e ie ed om Supplemen a y Ma e ial 2 and
summa ized below:
he111i=4
105⇡2⇣p14(5eAeB)<⇣p3W310 p5W330⌘+
14p3eB<(W110)⌘,
(18)
he122i=4
315⇡2⇣14p3<(W110)(2eAeB+3e
C)+
p14(eB5eA)<⇣p3W310 +3
p5W330⌘⌘,
(19)
he133i=8⇡27<(W110)(2eAeB+3e
C)+2
p14(5eAeB)<(W310)
105p3,(20)
he123i=8⇡2(5eAeB)=(W320)
3p105 ,(21)
he113i=2
315⇡2⇣7p6<(W100)(2(eA+e
B)+3e
C)+
2p7(5eAeB)<⇣3p2W300 2p15W320⌘⌘,
(22)
he112i=4
315⇡2⇣7p3=(W110)(2(eA+e
B)+3e
C)+
p14(5eAeB)=⇣p3W310 3p5W330⌘⌘,
(23)
he211i=4
315⇡2⇣14p3=(W110)(2eAeB+3e
C)+
p14(eB5eA)=⇣p3W310 3p5W330⌘⌘,
(24)
he222i=4
105⇡2⇣p14(5eAeB)=⇣p3W310 +p5W330⌘+
14p3eB=(W110)⌘,
(25)
A e aging piezoelec ic hi d-o de enso s 8
he233i=8
105p3⇡2(7=(W110)(2eA+e
B3eC)+
2p14(eB5eA)=(W310)⌘,
(26)
he223i=2
315⇡2⇣7p6<(W100)(2(eA+e
B)+3e
C)+
2p7(5eAeB)<⇣3p2W300 +2
p15W320⌘⌘,
(27)
he213i=8⇡2(5eAeB)=(W320)
3p105 ,(28)
he212i=4
315⇡2⇣7p3<(W110)(2(eA+e
B)+3e
C)+
p14(5eAeB)<⇣p3W310 +3
p5W330⌘⌘,
(29)
he311i=4
315⇡2⇣7p6<(W100)(2eAeB+3e
C)+
p7(eB5eA)<⇣3p2W300 2p15W320⌘⌘,
(30)
he322i=4
315⇡2⇣7p6<(W100)(2eAeB+3e
C)+
p7(eB5eA)<⇣3p2W300 +2
p15W320⌘⌘,
(31)
he333i=4
105 ⇣2p14⇡2(eB5eA)<(W300)+7
p6⇡2eB<(W100)⌘,(32)
he323i=4
105p3⇡2(7=(W110)(2(eA+e
B)+3e
C)+
4p14(eB5eA)=(W310)⌘,
(33)
he313i=4
105p3⇡2(7<(W110)(2(eA+e
B)+3e
C)+
4p14(eB5eA)<(W310)⌘,
(34)
and
he312i=8⇡2(5eAeB)=(W320)
3p105 ,(35)
whe e eA=2e113 +e311,eB=4e113 +2e311 +3e333 and eC=2e113 4e311. No e ha
his se o analy ical exp essions educe o hose p esen ed by Li (2000) when ODF is
such ha ex u e coe icien W320 anishes. Howe e , exp essions (18) - (35) a e mo e
gene al as shown below.
To e i y hese esul s, we i s conside he ODF
w(⇠, ,)=(⇠1),(36)
whe e (⇠1) is he Di ac del a unc ion a ⇠=1. This ODF desc ibes an agg ega e
wi h all he c ys alli es o ien ed wi h ✓=0and andom alues o and , which
A e aging piezoelec ic hi d-o de enso s 15
Figu e 7. E ec i e piezoelec ic moduli o polyc ys al BaTiO3as a unc ion o he
Gaussian dis ibu ion pa ame e ✓ o µ✓=0,µ =⇡/3and =1.
Figu e 8. E ec i e piezoelec ic cons an he112io he BaTiO3polyc ys al as a
unc ion o µ and o µ✓=0and ✓=0.6.
Table 2. Ma ix s uc u es o he e ec i e piezoelec ic coupling enso s esul ing
om he wo Gaussian ODFs.
ODF C ys al ma ix s uc u e Polyc ys al ma ix s uc u e
wA0
@
0000e223 0
000e223 00
e311 e311 e333 000
1
A0
@
0000he223i0
000he223i00
he311ihe311ihe333i000
1
A
wB0
@
0000e223 0
000e223 00
e311 e311 e333 000
1
A0
@
he111ihe122ihe133ihe123ihe113ihe112i
he211ihe222ihe233ihe223ihe123ihe212i
he311ihe322ihe333ihe323ihe313ihe123i
1
A
A e aging piezoelec ic hi d-o de enso s 16
6. Conclusions
This wo k p o ides gene al analy ical exp essions o olume a e ages o piezoelec ic
p ope ies o polyc ys alline agg ega es. The exp essions a e de i ed om o ien a ional
a e ages o hi d-o de piezoelec ic enso s ha a e weigh ed by o ien a ional
dis ibu ion unc ions ha accoun o ex u e. The exp essions a e de i ed by using
sphe ical ha monic se ies expansions.
Imp o emen s o his wo k wi h espec o he p e ious wo ks in he li e a u e a e
wo old: all c ys al symme ies a e conside ed and no symme y es ic ions a e imposed
o ex u e. Thus, his wo k p o ides he analy ical o mulas o compu e he a e age
piezoelec ic enso o polyc ys alline agg ega es o med by c ys als o all he 21 non-
cen osymme ical classes. These exp essions a e open o be specialized o any ex u e,
which is speci ied in e ms o Eule ´s angles ( ,✓,).
The e sa ili y o he in oduced exp essions is demons a ed o BaTiO3
polyc ys als wi h uniaxial ex u e gi en by a single Gaussian dispe sion o ✓, and
wi h biaxial ex u e gi en by a double Gaussian dispe sion o ✓and . The esul s
o he i s case, which consis ed in a Gaussian dis ibu ion cen e ed a ound ✓=0,
showed o be in pe ec ag eemen wi h esul s published in he li e a u e. This case
has he pa icula i y ha all he ex u e coe icien s and all he exp essions o he
a e age piezoelec ic p ope ies a e eal. On he o he hand, no p e ious s udy was
ound o e i y he esul s o he simple Gaussian dis ibu ions wi h mean alue ✓6=0
and o he case wi h biaxial ex u es. The biaxial ex u e leads o complex- alued
ex u e coe icien s and complex o mula ions o he a e aged piezoelec ic p ope ies.
Resul s o he BaTiO3polyc ys al wi h biaxial ex u e ha e been discussed in de ail
and analyzed o a se o limi ing cases. In all cases, he esul s showed o be consis en .
The main con ibu ion o his wo k is he se o analy ical exp essions ha simpli ies
ob aining closed- o m o mulas o es ima e he e ec i e piezoelec ic p ope ies o
polyc ys als wi h a bi a y symme ies and ex u es. These exp essions a e sui able
o pe o m pa ame ic s udies like hose p esen ed in his wo k o BaTiO3polyc ys als,
and –p o ided he ex u es cha ac e ized by smoo h ODFs– o implemen e icien
analy ical op imiza ion me hods o ind con igu a ions a he mic os uc u al le el in
o de o maximize piezoelec ici y.
I is s aigh o wa d o adap he exp ession he ein de i ed o he piezoelec ic
s ess enso e o o he piezoelec ic p ope ies, such as d,g,h(see IEEE S anda d on
Piezoelec ici y (1988)) o he piezomagne ic moduli.
Au ho ’s con ibu ions
JLB: In es iga ion, So wa e, Valida ion, FCB: Concep ualiza ion, Fo mal Analysis,
Me hodology, Visualiza ion, P ojec Adminis a ion, W i ing - O iginal d a
p epa a ion, Re iew & Edi ing, APC: Supe ision, Resou ces, W i ing - O iginal d a
p epa a ion, Re iew & Edi ing, RM: W i ing – Re iew & Edi ing, LRT: P ojec
REFERENCES 17
Adminis a ion, W i ing - Re iew, AS: W i ing - Re iew
Acknowledgmen s
This wo k was suppo ed by he Minis e io de Economía y Compe i i idad o Spain
unde p ojec DPI2017-89162-R, he Conseje ía de Economía, Conocimien o, Emp esas
y Uni e sidad o he Jun a de Andalucía (Spain) unde p ojec P18-RT-3128 and he
Uni e sidad Nacional de Ma del Pla a (A gen ina) unde p ojec 15/G511. R.M. is
also acknowledging suppo o NSERC and CRC P og am.
Da a A ailabili y
The da a ha suppo s he indings o his s udy a e a ailable wi hin he a icle [and
i s supplemen a y ma e ial].
Re e ences
Bunge, H. 1982. Tex u e analysis in Ma e ials Science. Bu e wo hs, London.
Fe a i, M., Johnson, G.C. The equilib ium p ope ies o a 6 mm polyc ys al exhibi ing
ans e se iso opy. Jou nal o Applied Physics ol. 63, 4460 - 4468, 1988
Gel’ and, I. M., Minlos, R. A., Cummins, G. 1963. Rep esen a ions o he Ro a ion and
Lo en z G oups and Thei Applica ions. Macmillan
IEEE S anda d on Piezoelec ici y, in ANSI/IEEE S d 176-1987 , 1988. (DOI:
10.1109/IEEESTD.1988.79638)
Jayachand an, K.P., Guedes, J.M., Rod igues, H.C.. Fe oelec ic ma e ials o piezo-
elec ic ac ua o s by op imal design. Ac a Ma e ialia, 59(10), 3770–3778, 2011
Kim, H-S., Hyun, T-S., Kim, H-G., Kim, I-D., Yun, T-S., Lee, J-C. O ien a ion e ec
on mic owa e dielec ic p ope ies o Si-in eg a ed Ba0.6S 0.4TiO3 hin ilms o
equency agile de ices. Appl. Phys. Le . 89 0529021–3, 2006
Kim, H., To es,F., Villag an, D., S ewa , C., Lin, Y., Tseng, T.‐L. B. 3D P in ing
o BaTiO3/PVDF Composi es wi h Elec ic In Si u Poling o P essu e Senso
Applica ions. Mac omolecula Ma e ials and Enginee ing. 302, (11), 1700229, 2017
Kim, H., Wilbu n, B.R., Cas o, E., Ga cia Rosales, C.A., Cha ez, L.A., Tseng, T-L.
B., Lin, Y. Mul i unc ional SENSING using 3D p in ed CNTs/BaTiO3/PVDF
REFERENCES 18
nanocomposi es. Jou nal o Composi e Ma e ials, 53(10), 1319–1328, 2019
Kocks, U. F., Tomé, C. N., Wenk, H.-R. 2005. Tex u e and Aniso opy. P e e ed
o ien a ions in polyc ys als and hei e ec on ma e ials p ope ies. Camb idge
Uni e si y P ess
K ishnaswamy, J.A., Bu oni, F.C., Ga cía-Sánchez, F., Melnik, R., Rod íguez-
Tembleque, R., Sáez, A. Imp o ing he pe o mance o lead- ee piezoelec ic
composi es by using polyc ys alline inclusions and uning he dielec ic ma ix
en i onmen . Sma Ma e ials & S uc u es, ol. 28, 075032, 2019
K ishnaswamy, J.A., Bu oni, F.C., Ga cía-Sánchez, F., Melnik, R., Rod íguez-
Tembleque, R., Sáez, A. Lead- ee piezocomposi es wi h CNT-modi ied ma ices:
Accoun ing o agglome a ions and molecula de ec s. Composi e S uc u es, ol. 224,
pp. 111033, 2019
K ishnaswamy, J.A., Bu oni, F.C., Ga cía-Macías, E., Melnik, R., Rod íguez-
Tembleque, R., Sáez, A. Design o lead- ee PVDF/CNT/BaTiO3 piezocomposi es
o sensing and ene gy ha es ing: The ole o polyc ys allini y, nanoaddi i es, and
aniso opy. Sma Ma e ials & S uc u es, ol. 29, 015021 (13pp), 2020
K ishnaswamy, J.A., Bu oni, F.C., Ga cía-Macías, E., Melnik, R., Rod íguez-
Tembleque, R., Sáez, A. Design o nano-modi ied PVDF ma ices o lead- ee
piezocomposi es: G aphene s ca bon nano ube nano-addi ions. Mechanics o
Ma e ials ol. 142, 103275, 2020
K ishnaswamy, J.A., Bu oni, F.C., Melnik, R., Rod íguez-Tembleque, R., Sáez, A.
Ad anced modeling o lead- ee piezocomposi es: The ole o nonlocal and nonlinea
e ec s. Composi e S uc u es, ol. 238, pp. 111967, 2020
Ibn-Mohammed, T., Koh, S., Reaney, I., Sinclai , D., Mus apha, K., Acquaye, A.,
Wang, D. A e lead- ee piezoelec ics mo e en i onmen ally iendly? MRS Commu-
nica ions, 7(1), 1-7, 2017
Li, J. Y. The e ec i e elec oelas ic moduli o ex u ed piezoelec ic polyc ys alline
agg ega es Jou nal o Mechanics and Physics o Solids, 48 529–52, 2000
Li, J. Y., Dunn, M. L., Ledbe e , H . The moelec oelas ic moduli o ex u ed
piezoelec ic polyc ys als: Exac solu ions and bounds o ilm ex u es. Jou nal o
Applied Physics ol. 96, 4626-4634, 1999
REFERENCES 19
Li, J. Y., Dunn, M. L., Va ia ional bounds o he eVec i e moduli o he e ogeneous
piezoelec ic solids. Philosophical Magazine A ol. 81, 903-926, 2001
Li, J.Y., . Rogan, R.C, Us undag, E. , Bha acha ya, K. Domain swi ching in polyc ys-
alline e oelec ic ce amics. Na u e Ma e ials 4 776–81, 2005
Ma hema ica, Ve sion 12.1. (Champaign IL.) Wol am Resea ch, Inc.; 2020.
Nye, J. F. 1985. Physical P ope ies o C ys als. Cla endon P ess — Ox o d
Pha ha apee anun, N., Ksapabu , B., Ma ani, D., Bowen, J.R., Esposi o, V. 3D-
p in ed ba ium i ana e/poly-( inylidene luo ide) nano-hyb ids wi h aniso opic
dielec ic p ope ies. Jou nal o Ma e ials Chemis y C, 5, 12430–12440, 2017
Roe, R-J. Desc ip ion o C ys alli e O ien a ion in Polyc ys alline Ma e ials. III.
Gene al Solu ion o Pole Figu e In e sion. Jou nal o Applied Physics 36, 2024, 1965
Ruglo sky, J.L., Li, J.Y., Bha acha ya, K., A wa e , H.A.. The e ec o biaxial ex u e
on he e ec i e elec omechanical cons an s o polyc ys alline ba ium i ana e and
lead i ana e hin ilms. Ac a Ma e ialia 54 3657-3663, 2006
Sai o, Y., Takao, H., Tani, T., Nonoyama, T., Taka o i, K., Homma, T., Nagaya, T.
and Nakamu a, M. Lead- ee piezoce amics. Na u e 432, pp.84, 2004
Sha, G. Explici Backsca e ing Coe icien o Ul asonic Wa e P opaga ing in
Hexagonal Polyc ys als wi h Fibe Tex u e. Jou nal o Nondes uc i e E alua ion
37:51, 2018.
Uchino, K. 2017, Ad anced Piezoelec ic Ma e ials. Science and Technology. Woodhead
Publishing
Wang, D., Du, H., Wang, L., Melnik, R. A phase ield app oach o he ully coupled
he mo-elec o-mechanical dynamics o nanoscale e oelec ic ac ua o s. Sma
Ma e ials & S uc u es, 27 055012, 2018
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