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Date
Name
Thumbnail
Size
Description
Versions
14:30, 22 March 2017
BN Summary of MgO DOS for dimension variations.jpg
(
file
)
236 KB
2
11:20, 22 March 2017
BN Graph to compare LD with MD.JPG
(
file
)
57 KB
2
16:34, 21 March 2017
Hemholtz thermodynamic.JPG
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file
)
11 KB
1
16:06, 21 March 2017
BN Harmonic anharmonic.png
(
file
)
26 KB
1
14:55, 21 March 2017
BN Convensional and primitive cell inverted colour.jpg
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file
)
115 KB
1
14:09, 21 March 2017
BN Helmholtz free energy equation.JPG
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file
)
17 KB
1
11:23, 21 March 2017
BN Brillouin zone.PNG
(
file
)
2 KB
1
15:24, 18 March 2017
Diatomic phonons.png
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file
)
54 KB
By Brews ohare (Own work) [CC BY-SA 3.0 (http://creativecommons.org/licenses/by-sa/3.0)], via Wikimedia Commons
2
13:17, 18 March 2017
BN Quasi-harmonic free energy.JPG
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file
)
13 KB
1
11:57, 18 March 2017
BN Thermal expansion coefficient.JPG
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file
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11 KB
1
14:45, 16 March 2017
BN 1x1x1 calculating the phonon modes of MgO desnity of states 4 peaks white background.JPG
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file
)
41 KB
1
14:33, 16 March 2017
Summary of graphs to show Free energy, lattice constant and cell volume against temperature.JPG
(
file
)
58 KB
1
14:26, 16 March 2017
BN Graph to show variation of free energy of MgO against temperature.JPG
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file
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57 KB
1
14:18, 16 March 2017
BN calculating the phonon modes of MgO white background.JPG
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file
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45 KB
1
14:15, 16 March 2017
BN MgO snapshot of lattice.PNG
(
file
)
124 KB
1
09:50, 15 December 2016
BN VACF gas simulation.JPG
(
file
)
25 KB
1
09:28, 15 December 2016
BN VACF solid running integral.JPG
(
file
)
30 KB
1
09:25, 15 December 2016
VACF gas running integral BN.JPG
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file
)
22 KB
1
09:04, 15 December 2016
BN VACF gas running integral.JPG
(
file
)
27 KB
1
16:34, 14 December 2016
BN diffusion coefficient equation.JPG
(
file
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11 KB
1
16:04, 14 December 2016
BN Integral of rdf plot.JPG
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file
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46 KB
1
15:38, 14 December 2016
BN Heat cap d 0.8 t 2.2.in
(
file
)
2 KB
log file code
1
15:24, 14 December 2016
BN density as a function of temperature with ideal gas p=2.8.JPG
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file
)
40 KB
1
15:23, 14 December 2016
Graph to show Density against pressure p 2.5.PNG
(
file
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47 KB
2
09:48, 2 December 2016
BN VACF gas simulation 1 million atoms.JPG
(
file
)
44 KB
1
09:31, 2 December 2016
BN VACF liquid simulation 1 million atoms.JPG
(
file
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37 KB
1
09:30, 2 December 2016
BN VACF solid simulation 1 million.JPG
(
file
)
45 KB
1
09:30, 2 December 2016
BN VACF liquid simulation.JPG
(
file
)
41 KB
1
09:29, 2 December 2016
BN VACF solid simulation.JPG
(
file
)
46 KB
1
09:16, 2 December 2016
BN trapezoid.JPG
(
file
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23 KB
1
09:10, 2 December 2016
BN lennard jones.JPG
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file
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68 KB
2
18:10, 1 December 2016
BN Gamma derivation.JPG
(
file
)
20 KB
1
14:00, 1 December 2016
BN VACF Graph liquid solid and 1D harmonic oscillator.JPG
(
file
)
86 KB
corrected version, previous one had incorrect HO values
2
12:55, 1 December 2016
BN velocity autocorrection function.JPG
(
file
)
75 KB
1
17:53, 30 November 2016
Fcc lattice image BN.JPG
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file
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12 KB
from https://upload.wikimedia.org/wikipedia/commons/c/c9/Cubic-face-centered.svg
1
15:22, 30 November 2016
BN Graph to showheat capacity against temperature.JPG
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file
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44 KB
1
14:56, 30 November 2016
BN Energy against time all timesteps.JPG
(
file
)
68 KB
1
14:50, 30 November 2016
Energy against time all timesteps.JPG
(
file
)
68 KB
1
14:27, 30 November 2016
BN Energy against time timestep - 0.001.JPG
(
file
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46 KB
1
14:27, 30 November 2016
BN Temperature against time timestep - 0.001.JPG
(
file
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48 KB
1
14:26, 30 November 2016
BN Pressure against time timestep - 0.001.JPG
(
file
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50 KB
1
13:43, 30 November 2016
Equation 6 BN.gif
(
file
)
942 bytes
1
18:40, 29 November 2016
Equation 5 BN v2.JPG
(
file
)
8 KB
1
18:30, 29 November 2016
Equation 4 BN.JPG
(
file
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22 KB
corrected version
2
15:33, 29 November 2016
Equation 3 BN velocity verlet equation.JPG
(
file
)
13 KB
1
15:26, 29 November 2016
Equation 2 BN.JPG
(
file
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16 KB
1
14:52, 29 November 2016
BN Equation 1.JPG
(
file
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12 KB
1
14:50, 29 November 2016
Equation 1.JPG
(
file
)
12 KB
1
13:46, 29 November 2016
Liquid Mean Squared Displacement Plot 1 million atoms.JPG
(
file
)
42 KB
corrected version
2
13:44, 29 November 2016
Solid Mean Squared Displacement Plot 1 million.JPG
(
file
)
36 KB
corrected version
2
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