Crystalline size and strain

The width of the diffraction curve increases as the thickness of the

crystal decreases, and due to the effects of internal lattice stress, which

were not taken into account in the Shearer method, also the presence of

more than one peak in that phase. The crystallite size D and lattice strain

ε of β-Sn phase have been invistegated by analysis the XRD pattern using

the Williamson-Hall formula. The instrumental broadening (βhkl) was corrected,

corresponding to each diffraction peak of Sn-9Zn-xCu material using the relation:

B=B D + Bε(1)

Where B is the total broadening, BD is broadening due to crystallites size B

ε is broadening due to strain

From the Scherrer equation we know that,

Where β is full width at half of the maximum of XRD peak, K is a crystal

shape factor from 0.9~1, λ is X-ray wavelength, D corresponds to the crystalline

size, θ is the Bragg's angle and ε is lattice strain respectively

The microstrain is given by

Putting eq(2,3) in eq(1)

We get
or

Equation (6) is known as modified Williamson–Hall equation, and represent

the equation of a straight line is given by, 𝒚=𝒎x+𝒄

In which (ε )is the gradient (slop) of the line and c is the y-intercept.

By comparing the straight line equation with eq(6), we have.

B
y= cosθ ( i )
λ

m=ε (ii)

2
x= sinθ (iii)
λ

kλ
c= (iv)
D

We will plot 2sin𝜽/ λ on x-axis and "𝜷cos𝜽/ λ " on y-axis.

The value of m is slop of line, so, it will be the value of strain (ε). Finally, we

kλ
will calculate crystallite size from the y-intercept ( D ).

We will need the flowing data, to make Williamson–Hall plot.

Now let's Convert FWHM (𝜷) to radians, and find the value of 2sin𝜽 and 𝜷cos𝜽.
Calculations for Sn-9Zn

Line ID 2θ θ Cos θ Sin θ FWH FWHM

M
B
B ( θ (radian)
)
Sn( 2 0 30.58 15.29 0.9646 0.2637 0.335 0.00585 0.342 0.00366
0) 1 05 01 13 36
Sn ( 1 0 31.96 0.9613 0.2753 0.362 0.00632 0.357 0.00394
1) 0 15.98 58 02 4
Sn ( 2 2 43.28 21.64 0.9295 0.3687 0.425 0.00742 0.478 0.00448
0) 1 05 16 82 76
Sn ( 2 1 44.86 0.9243 0.3815 0.352 0.00614 0.495 0.00369
1) 0 22.43 46 54 35
Sn ( 3 0 55.34 0.8856 0.4643 0.364 0.00635 0.602 0.00365
1) 0 27.67 37 78 87
Sn ( 1 1 62.50 0.8549 0.5187 0.384 0.0067 0.673 0.00372
2) 0 31.25 12 73 49
Sn ( 4 0 63.80 0.8489 0.5284 0.399 0.00696 0.686 0.00384
0) 0 31.9 72 38 03
Sn ( 3 2 64.56 0.8454 0.5340 0.350 0.00611 0.693 0.00335
1) 0 32.28 48 57 33
We will ready to plot Williamson–Hall plot.
.
let's plot 2sin𝜽 on y-axis and "𝜷cos𝜽" on x-axis, to get final Williamson–Hall plot.

2sin theta/lemda
Linear Fit of Sheet1 B"2sin the
9

7
2sin theta/lemda

0.4 0.5 0.6 0.7

costheta/lemda
To calculate Grain size and microstrain calculations for Sn-9Zn-0.2Cu

Line ID 2θ θ Cos θ Sin θ B( θ B

) (radian)

Sn( 2 0 30.30 0.9652 0.2613 0.368 0.00642 0.3392 0.00402

0) 0 15.15 45 47 9
Sn ( 1 0 31.70 0.9619 0.2731 0.348 0.00607 0.3545 0.00379
1) 0 15.85 8 2 7
Sn ( 2 2 43.54 0.9286 0.3708 0.337 0.00588 0.4814 0.00355
0) 0 21.77 8 82 9
Sn ( 2 1 44.56 0.9253 0.3791 0.330 0.00576 0.4922 0.00346
1) 0 22.28 42 33
Sn ( 3 0 55.00 0.8870 0.4617 0.314 0.00548 0.5994 0.00316
1) 0 27.5 11 49 6
Sn ( 1 1 62.22 0.8561 0.5166 0.315 0.0055 0.6707 0.00306
2) 0 31.11 77 83 7
Sn ( 4 0 63.46 0.8505 0.5259 0.276 0.00482 0.6827 0.00266
0) 0 31.73 36 17 6
Sn ( 3 2 64.28 0.8467 0.5319 0.328 0.00572 0.6906 0.00315
1) 0 32.14 51 9 4
To calculate Grain size and microstrain calculations for Sn-9Zn-0.4Cu

Line ID 2θ θ Cos θ Sin θ B( θ B

) (radian)

Sn( 2 0 30.72 15.32 0.9644 0.2642 0.309 0.00539 0.3438 0.00338

0) 0 2 56 43 8
Sn ( 1 0 32.12 16.00 0.9612 0.2757 0.294 0.00513 0.3591 0.0032
1) 0 9 18 88 5
Sn ( 2 2 43.96 21.93 0.9276 0.3735 0.286 0.00499 0.4859 0.003
0) 0 5 08 54 1
Sn ( 2 1 45.02 22.45 0.9242 0.3818 0.294 0.00513 0.4970 0.00308
1) 0 1 06 93 2
Sn ( 3 0 55.44 27.66 0.8856 0.4643 0.295 0.00515 0.6038 0.00296
1) 0 5 77 01 7
Sn ( 1 1 62.66 31.26 0.8547 0.5190 0.271 0.00473 0.6750 0.00262
2) 0 9 4 57 4
Sn ( 4 0 63.90 31.89 0.8490 0.5283 0.240 0.00419 0.687 0.00231
0) 0 2 45 2
Sn ( 3 2 64.73 32.28 0.8453 0.5341 0.259 0.00452 0.6950 0.00248
1) 9 8 74 75 4
 Line ID 2θ θ Cos θ Sin θ B( θ B
) (radian)

Sn( 2 0 30.48 15.32 0.9644 0.2642 0.300 0.00524 0.3412 0.00328

0) 0 2 56 43 6
Sn ( 1 0 31.88 16.00 0.9612 0.2757 0.302 0.00527 0.3565 0.00329
1) 0 9 18 88 3
Sn ( 2 2 43.70 21.93 0.9276 0.3735 0.262 0.00457 0.4831 0.00276
0) 0 5 08 54 7
Sn ( 2 1 44.76 22.45 0.9242 0.3818 0.283 0.00494 0.4943 0.00296
1) 0 1 06 93
Sn ( 3 0 55.24 27.66 0.8856 0.4643 0.266 0.00464 0.6018 0.00267
1) 0 5 77 01 7
Sn ( 1 1 62.42 31.26 0.8547 0.5190 0.277 0.00483 0.6727 0.00268
2) 0 9 4 57 1
Sn ( 4 0 63.73 31.89 0.8490 0.5283 0.256 0.00447 0.6854 0.00246
0) 8 2 45 2 4
Sn ( 3 2 64.46 32.28 0.8453 0.5341 0.259 0.00452 0.6923 0.00248
1) 0 8 74 75 7

To calculate Grain size and microstrain calculations for Sn-9Zn-0.6Cu

Line ID 2θ θ Cos θ Sin θ B( θ B
) (radian)

Sn( 2 0 30.74 15.32 0.9644 0.2642 0.267 0.00466 0.3441 0.00292

0) 0 2 56 43
Sn ( 1 0 32.12 16.00 0.9612 0.2757 0.261 0.00456 0.3591 0.00284
1) 0 9 18 88 5
Sn ( 2 2 43.99 21.93 0.9276 0.3735 0.248 0.00433 0.4863 0.00261
0) 9 5 08 54 1
Sn ( 2 1 45.02 22.45 0.9242 0.3818 0.376 0.00656 0.4970 0.00394
1) 0 1 06 93 2
Sn ( 3 0 55.44 27.66 0.8856 0.4643 0.224 0.00391 0.6038 0.00225
1) 0 5 77 01 7
Sn ( 1 1 62.64 31.26 0.8547 0.5190 0.245 0.00428 0.6748 0.00237
2) 0 9 4 57 4
Sn ( 4 0 63.90 31.89 0.8490 0.5283 0.279 0.00487 0.687 0.00268
0) 0 2 45 2
Sn ( 3 2 64.70 32.28 0.8453 0.5341 0.398 0.00695 0.6946 0.00381
1) 0 8 74 75 7
Line ID 2θ θ Cos θ Sin θ B( θ B
) (radian)

Sn( 2 0 30.66 15.32 0.9644 0.2642 0.303 0.00529 0.3432 0.00331

0) 0 2 56 43 2
Sn ( 1 0 32.08 16.00 0.9612 0.2757 0.290 0.00506 0.3587 0.00316
1) 0 9 18 88 1
Sn ( 2 2 43.92 21.93 0.9276 0.3735 0.257 0.00449 0.4854 0.0027
0) 0 5 08 54 8
Sn ( 2 1 44.96 22.45 0.9242 0.3818 0.284 0.00496 0.4963 0.00297
1) 0 1 06 93 9
Sn ( 3 0 55.34 27.66 0.8856 0.4643 0.289 0.00504 0.6028 0.0029
1) 1 5 77 01 8
Sn ( 1 1 62.58 31.26 0.8547 0.5190 0.297 0.00518 0.6742 0.00288
2) 0 9 4 57 6
Sn ( 4 0 63.78 31.89 0.8490 0.5283 0.293 0.00511 0.6858 0.00282
0) 1 2 45 2 5
Sn ( 3 2 64.64 32.28 0.8453 0.5341 0.297 0.00518 0.6940 0.00284
 1) 0 8 74 75 9
To calculate Grain size and microstrain calculations for Sn-9Zn-0.8Cu and Sn-9Zn-1Cu

microstra dislocation grain Cu

in size conte
nt
D 1/D
Col("microstrain")/ Col(F)*-1 Col("dislocation")/ 1/
10000 100000 Col(B)
8.14E-08 8.14E-04 1.79E-05 236.30 0.004 0
94 23
2.85E-07 0.00285 2.39E-05 204.49 0.004 0.2
9 89
2.41E-07 0.00241 1.76E-05 238.66 0.004 0.4
35 19
2.17E-07 0.00217 1.60E-05 250.32 0.003 0.6
13 99
1.92E-08 1.92E-04 9.19E-06 329.85 0.003 0.8
33 03
1.01E-07 0.00101 1.22E-05 286.16 0.003 1
7 49