Main public logs

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13:43, 11 February 2016 Aa11413 talk contribs uploaded a new version of File:Mod-run simulation run heat cap.jpg (new legend)
23:18, 9 February 2016 Aa11413 talk contribs uploaded File:Mod-run simulation run solid zoom.jpg (MSD solid, first 500 time steps, 1M and 8K atoms)
22:18, 8 February 2016 Aa11413 talk contribs uploaded a new version of File:Mod-run simulation run running integral.jpg (updated to new gas conditions (now correspond to updated MSD graph))
22:05, 8 February 2016 Aa11413 talk contribs uploaded File:Mod-run simulation run Rdf zoom.jpg (RDF and integral for solid, zoomed in to first 3 peaks)
21:05, 8 February 2016 Aa11413 talk contribs uploaded a new version of File:Mod-run simulation run FCC lattice.jpg (included triangles to show relationships)
19:40, 8 February 2016 Aa11413 talk contribs uploaded File:Mod-run simulation run FCC lattice.jpg (FCC lattice with neighbors marked. This file was edited. the original can be found here: http://archive.cnx.org/resources/3da746297d668a82f8498f09f805fecd55db1f79/graphics21.jpg (accessed Feb 8th 2016))
10:24, 8 February 2016 Aa11413 talk contribs uploaded a new version of File:Rdf.jpg (new y ticks)
10:23, 8 February 2016 Aa11413 talk contribs uploaded a new version of File:Rdf.jpg (new conditions for gas: T*=1.7, d*=0.1)
16:08, 6 February 2016 Aa11413 talk contribs uploaded a new version of File:Mod-run simulation run gas diff conditions.jpg (trends better visible)
15:53, 6 February 2016 Aa11413 talk contribs uploaded a new version of File:Mod-run simulation run MSD.jpg (new conditions for gas 8K)
15:49, 6 February 2016 Aa11413 talk contribs uploaded a new version of File:Mod-run simulation run gas diff conditions.jpg (cropped)
15:47, 6 February 2016 Aa11413 talk contribs uploaded a new version of File:Mod-run simulation run gas diff conditions.jpg (changed subplot 2,2 to 1,4 for better layout on page)
15:44, 6 February 2016 Aa11413 talk contribs uploaded File:Mod-run simulation run gas diff conditions.jpg (MSD gas, different conditions)
19:13, 5 February 2016 Aa11413 talk contribs uploaded File:Mod-run simulation run running integral.jpg (VACF and int VACF vs timestep for 8K and 1M atoms, sol, liq, gas)
19:12, 5 February 2016 Aa11413 talk contribs uploaded a new version of File:Mod-run simulation run MSD.jpg (larger and new x axis title)
14:58, 4 February 2016 Aa11413 talk contribs uploaded a new version of File:Rdf.jpg (Changed color of "solid" to gray, purple was too distracting)
14:13, 4 February 2016 Aa11413 talk contribs uploaded File:Mod-run simulation run d02t2.in (example of heat capacity calculation script. red density = 0.2 red temp = 2)
15:45, 3 February 2016 Aa11413 talk contribs uploaded File:Mod-run simulation run pte.jpg (pressure, temp and energy for dt = 0.001)
15:37, 3 February 2016 Aa11413 talk contribs uploaded File:Mod-run simulation run MSD.jpg (MSD vs time)
14:56, 3 February 2016 Aa11413 talk contribs uploaded File:Mod-run simulation run fluct timestep.jpg (Change in energy for different time steps)
14:56, 3 February 2016 Aa11413 talk contribs uploaded File:Mod-run simulation run peaks v time.jpg (error peaks against time)
14:55, 3 February 2016 Aa11413 talk contribs uploaded File:Mod-run simulation run error.jpg (Error against time between analytical and x(t))
14:54, 3 February 2016 Aa11413 talk contribs uploaded File:Mod-run simulation run position.jpg
14:53, 3 February 2016 Aa11413 talk contribs uploaded File:Mod-run simulation run energy.jpg
00:04, 3 February 2016 Aa11413 talk contribs uploaded File:Mod-run simulation run gif all balls.gif (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.)
23:46, 2 February 2016 Aa11413 talk contribs uploaded File:Mod-run simulation run VACF.jpg (VACF (8000 and 1 million atoms) and c(\tau) as cosine)
23:43, 2 February 2016 Aa11413 talk contribs uploaded File:Rdf.jpg (Radial dist function and integral (gas, liq, sol) as plotyy ax(1) is for g(r), ax(2) \int g(r))
23:36, 2 February 2016 Aa11413 talk contribs uploaded File:Mod-run simulation run Intro e vs t.jpg (Energy vs time for different dt)
23:36, 2 February 2016 Aa11413 talk contribs uploaded File:Mod-run simulation run heat cap.jpg (heat capacity vs red temp)
23:35, 2 February 2016 Aa11413 talk contribs uploaded File:Mod-run simulation run d vs t.jpg (density vs temperature MD with xy error bars and ideal gas law.)
23:07, 2 February 2016 Aa11413 talk contribs uploaded File:Mod-run simulation run gif rdf solid.gif (RDF, solid (first 40 frames, bcc unit cell))
23:07, 2 February 2016 Aa11413 talk contribs uploaded File:Mod-run simulation run gif rdf liquid.gif (RDF, liquid (first 40 frames, sc unit cell))
23:05, 2 February 2016 Aa11413 talk contribs uploaded File:Mod-run simulation run gif rdf gas.gif (RDF, gas (first 40 frames, sc unit cell))
23:03, 2 February 2016 Aa11413 talk contribs uploaded File:Mod-run simulation run gif balls and points.gif (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.)
23:08, 19 November 2015 Aa11413 talk contribs uploaded a new version of File:4815162342 Phonon DOS.jpg (Extended x axis to 1100 cm^-1)
21:50, 19 November 2015 Aa11413 talk contribs uploaded a new version of File:4815162342 A vs T.jpg (Corrected y label)
21:42, 19 November 2015 Aa11413 talk contribs uploaded File:4815162342 A vs T.jpg (Lattice constant vs temperature)
21:40, 19 November 2015 Aa11413 talk contribs uploaded File:4815162342 F vs T.jpg (Free energy vs temperature using MD and quasi harmonic)
20:40, 19 November 2015 Aa11413 talk contribs uploaded File:4815162342 FCC prim.png (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)
17:36, 19 November 2015 Aa11413 talk contribs uploaded File:4815162342 1D diatomic.jpg (Normal modes of vibration in a 1 dimensional diatomic infinite chain and their corresponding waves with wavelength and wave vector)
14:09, 19 November 2015 Aa11413 talk contribs uploaded File:4815162342 alpha.jpg (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))
14:08, 19 November 2015 Aa11413 talk contribs uploaded File:Upload alpha2.jpg (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))
23:33, 18 November 2015 Aa11413 talk contribs uploaded a new version of File:4815162342 F V melt.jpg (Added vertical line for melting point)
23:03, 18 November 2015 Aa11413 talk contribs uploaded File:4815162342 F V melt.jpg (Cell volume and free energy against temperature [100K, 4000K] for MgO (2x2x2 supercell). Calculated using molecular dynamics.)
22:20, 17 November 2015 Aa11413 talk contribs uploaded File:4815162342 Phonon DISP.jpg (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.)
22:07, 17 November 2015 Aa11413 talk contribs uploaded File:4815162342 Phonon DOS.jpg (Phonon DOS for different grid sizes. Data saved as PostScript by program in lab. x,y coordinates extracted using GetData Graph Digitizer 2.26 (can be downloaded at http://www.getdata-graph-digitizer.com/download.php) and plotted using MATLAB R2015b.)
22:17, 16 November 2015 Aa11413 talk contribs uploaded File:4815162342 MgO.png (Structure of magnesium oxide. Blue = Mg, Red = O. created with CrystalMaker 9.2)
20:53, 16 November 2015 Aa11413 talk contribs uploaded a new version of File:4815162342 1D monoatomic.png (Corrected lambda + minor changes in spacing between elements to clean up appearance)
20:29, 16 November 2015 Aa11413 talk contribs uploaded File:4815162342 1D monoatomic.png (Normal modes of vibration in a 1 dimensional monoatomic infinite chain and their corresponding waves with wavelength, spatial angular frequency and angular frequency indicated.)