Q0)

a) My UFID is 91460833

b) The tensor for any property P in a monoclinic b-unique system is as follows:

𝑃11 0 𝑃13
P= [ 0 𝑃22 0 ] The values of P13 and P31 are equal. [S16: Slide 103]
𝑃31 0 𝑃33

Therefore, the k tensor for the dielectric permittivity is as follows,

𝑘11 0 𝑘13
k= [ 0 𝑘22 0 ]
𝑘31 0 𝑘33

16.03 0 −1.49
 k= [ 0 19.25 0 ] [From the data in the question]
−1.49 0 20.97

c) Now we need to determine the value of the dielectric permittivity along the [2 D6 3] or [2 8 3]
direction.
First lets calculate the direction cosines using the lecture notes.
The G matrix for a monoclinic system is as follows

a11=
0.26163225 0 −0.0433078289 1
[2 8 3][ 0 0.26708224 0 ][0]
−0.0433078289 0 0.279841 0
0.26163225 0 −0.0433078289 2 0.26163225 0 −0.0433078289 1
√[2 8 3][ 0 0.26708224 0 ][8]√[1 0 0][ 0 0.26708224 0 ][0]
−0.0433078289 0 0.279841 3 −0.0433078289 0 0.279841 0

0.3933410133
a11= 2.295410035 = 0.1713598038

a12=
0.26163225 0 −0.0433078289 0
[2 8 3][ 0 0.26708224 0 ][1]
−0.0433078289 0 0.279841 0
0.26163225 0 −0.0433078289 2 0.26163225 0 −0.0433078289 0
√[2 8 3][ 0 0.26708224 0 ][8]√[0 1 0][ 0 0.26708224 0 ][1]
−0.0433078289 0 0.279841 3 −0.0433078289 0 0.279841 0
 2.13665792
a12=2.3192085888 = 0.9212875161

a13=
0.26163225 0 −0.0433078289 0
[2 8 3][ 0 0.26708224 0 ][0]
−0.0433078289 0 0.279841 1
0.26163225 0 −0.0433078289 2 0.26163225 0 −0.0433078289 0
√[2 8 3][ 0 0.26708224 0 ][8]√[0 0 1][ 0 0.26708224 0 ][0]
−0.0433078289 0 0.279841 3 −0.0433078289 0 0.279841 1

0.7529073422
a13= 2.373957708
= 0.3171528034

Now, to calculate the dielectric permittivity along [2 8 3], we will use the following expression,

k=
16.03 0 −1.49 0.1713598038
[0.1713598038 0.9212875161 0.3171528034] [[ 0 19.25 0 ] ] [0.9212875161]
−1.49 0 20.97 0.3171528034
k= 18.7568751302
Hence, the value of the dielectric permittivity along the [2 8 3] direction is 18.7568751302.

Bonus Question:
Monoclinic material with P21/c space group is low temperature VO2. The source and image are below.
Q1) a) My UFID is 91460833.
b) Therefore, the normal stress on the x direction, σx is 91MPa.
The normal stress on the z direction, σz is -46MPa.
The shear stress τxz is 08MPa.
We have to assume that the stress in the y direction is 0.
The stress tensor has the following format.

[S17: Slide 15]

Hence, the stress tensor in our case is as follows,
𝟗𝟏 𝟎 𝟖
[𝟎 𝟎 𝟎 ] MPa
−𝟖 𝟎 −𝟒𝟔
c) To calculate the maximum normal stress experienced by this material, we can use the following
formula given in the lecture slides

Please note that since we do not have a y component and have a z component, the y terms will be replaced
by the z terms.
Please note that for maximum, we will use the plus ‘+’ sign only before the square root symbol. [S17:
Slide 9]

σmax= ((91-46)/2) +  (((91-(-46))/2)2 + 82)

σmax= 22.5 + 68.97 = 91.47

Hence, the maximum normal stress experienced by the cubic material is 91.47 MPa.
d) To determine the angle with respect to the x axis at which the maximum normal stress is experienced,
we will use the following formula from the lecture slides,
Please note that since we do not have a y component and have a z component, the y terms will be replaced
by the z terms.
2∗8
tan 2m= 91+46 = 16/137 =0.1167883212

 m = (tan-1(0.1167883212))/2 = 6.66130164/2 =3.33065082⁰

Therefore, the angle with respect to the x axis at which the maximum normal stress is experienced is
3.33065082⁰.
e) To determine the maximum shear stress that the material will experience, we will use the following
formula from the lecture slides,

Please note that since we do not have a y component and have a z component, the y terms will be replaced
by the z terms.

 Tmax = (((91-(-46))/2)2 + 82) =68.97

Therefore, the maximum shear stress that the material will experience is 68.97 MPa.
f) The angle with respect to the x axis at which the maximum shear stress is experienced is the same as
rotating the angle with respect to the x axis at which the maximum normal stress is experienced by 180⁰
[Complex Stress States Discussions]

Let this new angle be n

 2n = 180° + 2m

 2n = 180° + 6.66130164⁰

 2n = 186.66130164⁰

 n= 93.33065082⁰
Therefore, the angle with respect to the x axis at which the maximum shear stress is experienced is
93.33065082⁰.
Q2) a) My UFID is 91460833
Therefore, (D1 D2 1) = (9 1 1); [D3 -D4 2] = [4 -6 2]; [3 D5 D6] = [3 0 8]
b) The system given in the question is orthorhombic. Let’s calculate the reciprocal space for this system.
bxc
ao*= = 1/a2
𝑎•𝑏𝑥𝑐
cxa
bo*= 𝑎•𝑏𝑥𝑐 = 1/b2
axb
co*= 𝑎•𝑏𝑥𝑐 = 1/c2 [S16: Slide 97]

a=0.1 nm, b=0.2nm, c=0.3nm [Given in the question]

We need to calculate a vector normal to (9 1 1).

𝑛⃗(9 1 1) = 9*(1/(0.1)2) 𝑖̂ + 1*(1/(0.2)2) 𝑗̂ + 1*(1/(0.3)2) 𝑘̂

𝑛⃗(9 1 1) = [900 25 11.11]

cos is angle between this normal vector and the direction in which the longitudinal stress is applied i.e.
[3 0 8]
G matrix for an orthorhombic system is as follows:

0.01 0 0 900
[3 0 8][ 0 0.04 0 ][ 25 ]
 cos = 0.01 0 0 3
0 0 0.09 11.11
0.01 0 0 900
√[3 0 8][ 0 0.04 0 ][0]√[900 25 11.11][ 0 0.04 0 ][ 25 ]
0 0 0.09 8 0 0 0.09 11.11
 34.9992
 cos = 218.16563 = 0.1604249029

Hence, the value of cos is 0.1604249029.

c) Now, let’s calculate cos

cos is the angle between the [3 0 8] and [4 -6 2]

0.01 0 0 4
[3 0 8][ 0 0.04 0 ][−6]
 cos = 0.01 0 0 3
0 0 0.09 2
0.01 0 0 4
√[3 0 8][ 0 0.04 0 ][0]√[4 −6 2][ 0 0.04 0 ][−6]
0 0 0.09 8 0 0 0.09 2

1.56
 cos = = 0.4607004428.
√11.466

Hence, the value of cos is 0.4607004428.

d) The Schmid factor is a product the cos and cos

Schmid Factor= cos.cos = 0.1604249029*0.4607004428 = 0.0739078238

Therefore, the Schmid factor for this loading is 0.0739078238.
Q3) a) My UFID is 91460833.
b) The system mentioned in this question is cubic. Therefore, the stiffness matrix will follow the
following form.

[S18: slide5]
Therefore
C11= 2D1D2 =291= C22 = C33
C12= 1D5D6= 108= C13 = C23
C44= 8D3.D4= 84.6= C55 = C66
Hence the Stiffness matrix is as follows,
C11 C12 C12 0 0 0 291 108 108 0 0 0
C21 C11 C12 0 0 0 C21 291 108 0 0 0
C31 C32 C11 0 0 0 C31 C32 291 0 0 0
=
0 0 0 C44 0 0 0 0 0 84.6 0 0
0 0 0 0 C44 0 0 0 0 0 84.6 0
[ 0 0 0 0 0 C44] [ 0 0 0 0 0 84.6]
Using the cubic orientation dependence derivation, we can calculate the values of the remaining terms.
The same correlation can be applied to the stiffness matrix since there are no specific deviations in the
cubic system. [S18: Slide 5]
Therefore,
C21=C12; C31=C13=C12 and C32=C23=C12
Hence, the stiffness matrix is as follows:
291 108 108 0 0 0
108 291 108 0 0 0
108 108 291 0 0 0
0 0 0 84.6 0 0
0 0 0 0 84.6 0
[ 0 0 0 0 0 84.6]
Now to calculate the values of the components of the compliance matrix, we will use the
relationship Sij*Cij= I {S18: Slide 27]
Using the matrix multiplication rules, we get the following symbolic equations,
S11*C11 + S12*C21 + S13*C31=1
S11*C12 + S12*C22 + S13*C32=0
S11*C13 + S12*C23 + S13*C33=0

Using the form for cubic systems, we get

S11*C11 + S12*C12 + S12*C12=1
S11*C12 + S12*C11 + S12*C12=0
S11*C12 + S12*C12 + S12*C11=0
C11 =291 C12=108

 291*S11 +216 S12= 1

108*S11 + 399*S12=0

108*S11 + 399*S12=0
We get 2 equations the same, which was expected. We now have 2 equations and 2 variables. Solving
these equations, we get:
S11= 133/30927 = 0.0043 GPa-1
S12= (-12/10309) = -0.001164 GPa-1
Using matrix multiplication rules, we also get
S44*C44=1

 S44= (1/C44) = (1/84.6) =0.01182 GPa-1

The compliance matrix follows the same form as the stiffness matrix since the system is cubic.
Hence, the compliance matrix is as follows:
𝟎. 𝟎𝟎𝟒𝟑 −𝟎. 𝟎𝟎𝟏𝟏𝟔𝟒 −𝟎. 𝟎𝟎𝟏𝟏𝟔𝟒 𝟎 𝟎 𝟎
−𝟎. 𝟎𝟎𝟏𝟏𝟔𝟒 𝟎. 𝟎𝟎𝟒𝟑 −𝟎. 𝟎𝟎𝟏𝟏𝟔𝟒 𝟎 𝟎 𝟎
−𝟎. 𝟎𝟎𝟏𝟏𝟔𝟒 −𝟎. 𝟎𝟎𝟏𝟏𝟔𝟒 𝟎. 𝟎𝟎𝟒𝟑 𝟎 𝟎 𝟎
GPa-1
𝟎 𝟎 𝟎 𝟎. 𝟎𝟎𝟏𝟏𝟖𝟐 𝟎 𝟎
𝟎 𝟎 𝟎 𝟎 𝟎. 𝟎𝟎𝟏𝟏𝟖𝟐 𝟎
[ 𝟎 𝟎 𝟎 𝟎 𝟎 𝟎. 𝟎𝟎𝟏𝟏𝟖𝟐]

c) Since the system in this question is cubic, we can use the cubic orientation dependence formula
calculated in class.
We have to calculate the Young’s modulus in the [2 3 D8] direction, which is [2 3 3]. Therefore, i=2, j=3
and k=3.
To use this formula, we need the values of li1, lj2, lk3 and S11, S12, S44
Let’s calculate the direction cosines first. We will use the following slides as reference.
 1
[2 3 3][0]
2
a11=li1= 2
0
1
= ((2*1) + (3*0) + (3*0))/((22+32+32) * (12+02+02)) =
√22
√[2 3 3][3]√[1 0 0][0]
3 0

0
[23 3][1]
3
a12=lj2= 2
0
0
= ((2*0) + (3*1) + (3*0))/((22+32+32) * (02+12+02)) =
√22
√[2 3 3][3]√[0 1 0][1]
3 0

0
[2
3 3][0]
3
a13=lk3= 2
1
0
= ((2*0) + (3*0) + (3*1))/((22+32+32) * (02+02+12)) =
√22
√[2 3 3][3]√[0 0 1][0]
3 1

2 3 3 3 2 3
 The term = ((( )( ))2 +(( 22)( 22))2 + (( )( ))2)
√22 √22 √ √ √22 √22
 153
 =
484

We can use the compliance matrix values S11, S12 & S44 from the previous subquestion
S11= 133/30927 = 0.0043 GPa-1
S12= (-12/10309) = -0.001164 GPa-1
S44= (1/C44) = (1/84.6) =0.01182 GPa-1
Substituting all these values in the following equation, we get

(1/E233) = 0.0043 – 2*((0.0043 – (-0.001164) – (0.5*0.01182) *(153/484))

(1/E233) = 0.0043 – 2*((0.0043 + (0.001164) – (0.00591) *(153/484))

(1/E233) = 0.0045819752

E233= 1/0.0042986172 = 218.2464889814 GPa

Hence, the Young’s Modulus in the [2 3 3] direction is 218.2464889814 GPa.
Q4) a) The space group Ia-3 corresponds to a cubic system [S8: Slide 115]
Hence, we can use the form for cubic systems just like the previous question.

[S18: slide5]
C11= 5D1 =59
C12= 2D2 =21=C13=C23
C44= 1D3 =14= C55=C66
Similarly, using the cubic orientation dependence derivation, we can calculate the values of the remaining
terms.

The same correlation can be applied to the compliance matrix since there are no specific deviations in the
cubic system. [S18: Slide 5]
Therefore,
C21=C12=21; C31=C13=C12=21 and C32=C23=C12=21
Hence, the stiffness matrix is as follows,
𝟓𝟗 𝟐𝟏 𝟐𝟏 𝟎 𝟎 𝟎
𝟐𝟏 𝟓𝟗 𝟐𝟏 𝟎 𝟎 𝟎
𝟐𝟏 𝟐𝟏 𝟓𝟗 𝟎 𝟎 𝟎
GPa
𝟎 𝟎 𝟎 𝟏𝟒 𝟎 𝟎
𝟎 𝟎 𝟎 𝟎 𝟏𝟒 𝟎
[𝟎 𝟎 𝟎 𝟎 𝟎 𝟏𝟒]
b)
Now, we will use the relationship Sij*Cij= I to calculate the compliance matrix {S18: Slide 27]
Using the matrix multiplication rules, we get the following symbolic equations,
S11*C11 + S12*C21 + S13*C31=1
S11*C12 + S12*C22 + S13*C32=0
S11*C13 + S12*C23 + S13*C33=0

Using the form for cubic systems, we get

S11*C11 + S12*C12 + S12*C12=1
S11*C12 + S12*C11 + S12*C12=0
S11*C12 + S12*C12 + S12*C11=0
C11 =59 C12=21

 59*S11 +42 S12= 1

21*S11 + 80*S12=0

21*S11 + 80*S12=0
We get 2 equations the same, which was expected. We now have 2 equations and 2 variables. Solving
these equations, we get:
S11= 40/1919 = 0.0020844 GPa-1
S12= -21/3838= -0.0054716 GPa-1
Using matrix multiplication rules, we also get
S44*C44=1
 S44= (1/C44) = (1/14) =0.07143 GPa-1
Hence, the compliance matrix for this material is as follows:
𝟎. 𝟎𝟎𝟐𝟎𝟖𝟒𝟒 −𝟎. 𝟎𝟎𝟓𝟒𝟕𝟏𝟔 −𝟎. 𝟎𝟎𝟓𝟒𝟕𝟏𝟔 𝟎 𝟎 𝟎
−𝟎. 𝟎𝟎𝟓𝟒𝟕𝟏𝟔 𝟎. 𝟎𝟎𝟐𝟎𝟖𝟒𝟒 −𝟎. 𝟎𝟎𝟓𝟒𝟕𝟏𝟔 𝟎 𝟎 𝟎
−𝟎. 𝟎𝟎𝟓𝟒𝟕𝟏𝟔 −𝟎. 𝟎𝟎𝟓𝟒𝟕𝟏𝟔 𝟎. 𝟎𝟎𝟐𝟎𝟖𝟒𝟒 𝟎 𝟎 𝟎
GPa-1
𝟎 𝟎 𝟎 𝟎. 𝟎𝟕𝟏𝟒𝟑 𝟎 𝟎
𝟎 𝟎 𝟎 𝟎 𝟎. 𝟎𝟕𝟏𝟒𝟑 𝟎
[ 𝟎 𝟎 𝟎 𝟎 𝟎 𝟎. 𝟎𝟕𝟏𝟒𝟑]
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