XRay Cube Size

Cube,side=15,total=19130
1.0
nHS
side = 15
k values
0.8
0.9
1.0
0.5
0.0
100
150
T (K)
200
250
k=0.8
k=0.9
k=1.0

100
100
100
k=0.9
k=0.8
50
0
1.0
1.5
1/d (a.u.)
50
0
1.0
2.0
intensity (a.u.)
intensity (a.u.)
intensity (a.u.)
k=1.0
1.5
1/d (a.u.)
50
0
1.0
2.0
1.5
1/d (a.u.)
2.0
k=1.0
k=0.8
1.0
1.2
1.4
1.6
1/d (a.u.)
1.8
2.0
T (K)
T (K)
T (K)
k=0.9
1.0
1.2
1.4
1.6
1/d (a.u.)
1.8
2.0
1.0
1.2
1.4
1.6
1/d (a.u.)
1.8
2.0
1.00
nHS
0.75
0.50
side=20
k values
0.05
0.25
0.50
0.70
0.80
0.90
1.00
0.25
0.00
100
150
T (K)
200
250
k=0.7
k=0.8
k=0.9
k=1.0
800
800
800
intensity (a.u.)
400
600
intensity (a.u.)
600
600
intensity (a.u.)
k = 0.9
k = 0.8
k = 0.7
400
200
200
200
0
1.0
1.5
1/d (a.u.)
2.0
400
0
1.0
1.5
1/d (a.u.)
2.0
1.0
1.5
1/d (a.u.)
2.0
1.0
1.2
1.4
1.6
1/d (a.u.)
1.8
2.0
T (K)
k = 0.9
T (K)
k = 0.8
T (K)
k = 0.7
1.0
1.2
1.4
1.6
1/d (a.u.)
1.8
2.0
1.0
1.2
1.4
1.6
1/d (a.u.)
1.8
2.0
1.00
side=25
k values
0.9
0.8
0.7
1.00
nHS
0.75
0.75
nHS
0.50
Cube,
size 25, k=0.70
100 MCS/K
1000 MCS/K
0.50
0.25
0.25
0.00
100
150
T (K)
200
250
0.00
100
150
200
T (K)
k=0.6
k=0.7
k=0.8
k=0.9
800
800
k=0.6
600
400
600
400
200
200
k=0.7
intensity (a.u.)
intensity (a.u.)
intensity (a.u.)
600
800
1.5
1/d (a.u.)
1.0
2.0
400
200
1.0
k=0.8
1.5
1/d (a.u.)
2.0
1.0
1.5
1/d (a.u.)
2.0
k=0.7
1.0
1.2
1.4
1.6
1/d (a.u.)
1.8
2.0
T (K)
k=0.8
T (K)
T (K)
k=0.6
1.0
1.2
1.4
1.6
1/d (a.u.)
1.8
2.0
1.0
1.2
1.4
1.6
1/d (a.u.)
1.8
2.0
Cube size
(no. of particles on a side / total)
15 / 19130
20 / 46794
25 / 90646
30 / 159260
Intensity (a.u.)
0.50
0.25
0.00
1.0
1.2
1.4
1.6
1/d (a.u.)
1.8
2.0

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Cube,side=15,total=19130

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