Uploads by Aa11413
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 13:43, 11 February 2016 | Mod-run simulation run heat cap.jpg (file) |  |
44 KB | new legend | 2 |
| 23:18, 9 February 2016 | Mod-run simulation run solid zoom.jpg (file) |  |
43 KB | MSD solid, first 500 time steps, 1M and 8K atoms | 1 |
| 22:18, 8 February 2016 | Mod-run simulation run running integral.jpg (file) |  |
115 KB | updated to new gas conditions (now correspond to updated MSD graph) | 2 |
| 22:05, 8 February 2016 | Mod-run simulation run Rdf zoom.jpg (file) |  |
52 KB | RDF and integral for solid, zoomed in to first 3 peaks | 1 |
| 21:05, 8 February 2016 | Mod-run simulation run FCC lattice.jpg (file) |  |
167 KB | included triangles to show relationships | 2 |
| 10:24, 8 February 2016 | Rdf.jpg (file) |  |
64 KB | new y ticks | 4 |
| 16:08, 6 February 2016 | Mod-run simulation run gas diff conditions.jpg (file) |  |
63 KB | trends better visible | 4 |
| 15:53, 6 February 2016 | Mod-run simulation run MSD.jpg (file) |  |
99 KB | new conditions for gas 8K | 3 |
| 14:13, 4 February 2016 | Mod-run simulation run d02t2.in (file) |  |
2 KB | example of heat capacity calculation script. red density = 0.2 red temp = 2 | 1 |
| 15:45, 3 February 2016 | Mod-run simulation run pte.jpg (file) |  |
45 KB | pressure, temp and energy for dt = 0.001 | 1 |
| 14:56, 3 February 2016 | Mod-run simulation run fluct timestep.jpg (file) |  |
34 KB | Change in energy for different time steps | 1 |
| 14:56, 3 February 2016 | Mod-run simulation run peaks v time.jpg (file) |  |
33 KB | error peaks against time | 1 |
| 14:55, 3 February 2016 | Mod-run simulation run error.jpg (file) |  |
34 KB | Error against time between analytical and x(t) | 1 |
| 14:54, 3 February 2016 | Mod-run simulation run position.jpg (file) |  |
34 KB | 1 | |
| 14:53, 3 February 2016 | Mod-run simulation run energy.jpg (file) |  |
40 KB | 1 | |
| 00:04, 3 February 2016 | Mod-run simulation run gif all balls.gif (file) |  |
1.33 MB | System modelled in intro from crystal (SC unit cell) to equilibrated liquid, showing two atoms as atoms, the others are points. n.b. this is not the entire simulation, just the first few frames. | 1 |
| 23:46, 2 February 2016 | Mod-run simulation run VACF.jpg (file) |  |
68 KB | VACF (8000 and 1 million atoms) and c(\tau) as cosine | 1 |
| 23:36, 2 February 2016 | Mod-run simulation run Intro e vs t.jpg (file) |  |
82 KB | Energy vs time for different dt | 1 |
| 23:35, 2 February 2016 | Mod-run simulation run d vs t.jpg (file) |  |
52 KB | density vs temperature MD with xy error bars and ideal gas law. | 1 |
| 23:07, 2 February 2016 | Mod-run simulation run gif rdf solid.gif (file) |  |
1.91 MB | RDF, solid (first 40 frames, bcc unit cell) | 1 |
| 23:07, 2 February 2016 | Mod-run simulation run gif rdf liquid.gif (file) |  |
3.6 MB | RDF, liquid (first 40 frames, sc unit cell) | 1 |
| 23:05, 2 February 2016 | Mod-run simulation run gif rdf gas.gif (file) |  |
3.34 MB | RDF, gas (first 40 frames, sc unit cell) | 1 |
| 23:03, 2 February 2016 | Mod-run simulation run gif balls and points.gif (file) |  |
1.16 MB | System modelled in intro from crystal (SC unit cell) to equilibrated liquid, showing two atoms as atoms, the others are points. n.b. this is not the entire simulation, just the first few frames. | 1 |
| 23:08, 19 November 2015 | 4815162342 Phonon DOS.jpg (file) |  |
72 KB | Extended x axis to 1100 cm^-1 | 2 |
| 21:50, 19 November 2015 | 4815162342 A vs T.jpg (file) |  |
43 KB | Corrected y label | 2 |
| 21:40, 19 November 2015 | 4815162342 F vs T.jpg (file) |  |
42 KB | Free energy vs temperature using MD and quasi harmonic | 1 |
| 20:40, 19 November 2015 | 4815162342 FCC prim.png (file) |  |
194 KB | FCC conventional and primitive cell with cell constants marked. Modified version of https://commons.wikimedia.org/wiki/File:Cubic_cF_and_primitive_cell_1.png | 1 |
| 17:36, 19 November 2015 | 4815162342 1D diatomic.jpg (file) | Error creating thumbnail: File with dimensions greater than 12.5 MP |
1.03 MB | Normal modes of vibration in a 1 dimensional diatomic infinite chain and their corresponding waves with wavelength and wave vector | 1 |
| 14:09, 19 November 2015 | 4815162342 alpha.jpg (file) |  |
63 KB | semilogy(T,V) for MgO for quasi harmonic and MD with trend lines (rsq = 0.9875 slope = 2.5418e-05 and rsq = 0.9956 slope = 3.0132e-05, respectively) | 1 |
| 14:08, 19 November 2015 | Upload alpha2.jpg (file) |  |
63 KB | semilogy(T,V) for MgO for quasi harmonic and MD with trend lines (rsq = 0.9875 slope = 2.5418e-05 and rsq = 0.9956 slope = 3.0132e-05, respectively) | 1 |
| 23:33, 18 November 2015 | 4815162342 F V melt.jpg (file) |  |
71 KB | Added vertical line for melting point | 2 |
| 22:20, 17 November 2015 | 4815162342 Phonon DISP.jpg (file) |  |
456 KB | Phonon dispersion curves for MgO (1x1x1 grid). Data saved as PostScript by program in lab, deleted original title and placed new title on top using Preview 8.1. | 1 |
| 22:17, 16 November 2015 | 4815162342 MgO.png (file) |  |
186 KB | Structure of magnesium oxide. Blue = Mg, Red = O. created with CrystalMaker 9.2 | 1 |
| 20:53, 16 November 2015 | 4815162342 1D monoatomic.png (file) |  |
653 KB | Corrected lambda + minor changes in spacing between elements to clean up appearance | 2 |
