User contributions for Aa11413

15:0415:04, 4 February 2016 diff hist −23 Rep:Mod:run simulation run →Structural properties and the radial distribution function
15:0415:04, 4 February 2016 diff hist +23 Rep:Mod:run simulation run →Structural properties and the radial distribution function
14:5814:58, 4 February 2016 diff hist 0 File:Rdf.jpg Aa11413 uploaded a new version of File:Rdf.jpg
14:5214:52, 4 February 2016 diff hist −93 Rep:Mod:run simulation run →Heat Capacity Calculation: added discussion
14:1314:13, 4 February 2016 diff hist +75 N File:Mod-run simulation run d02t2.in example of heat capacity calculation script. red density = 0.2 red temp = 2 current
14:0314:03, 4 February 2016 diff hist +380 Rep:Mod:run simulation run →Plotting the Equations of State: edited description of graph
11:2711:27, 4 February 2016 diff hist +376 Rep:Mod:run simulation run →Checking equilibration: added graph descriptions
11:2111:21, 4 February 2016 diff hist 0 m Rep:Mod:run simulation run →Checking equilibration
11:2011:20, 4 February 2016 diff hist −3 m Rep:Mod:run simulation run →Setting the properties of the atoms
11:1911:19, 4 February 2016 diff hist +698 m Rep:Mod:run simulation run →Setting the properties of the atoms
11:1511:15, 4 February 2016 diff hist +393 m Rep:Mod:run simulation run →Creating the simulation box: fixed equation and formatting
11:1111:11, 4 February 2016 diff hist +3,161 Rep:Mod:run simulation run →Equilibration: finished section
08:2508:25, 4 February 2016 diff hist −15,375 m Rep:Mod:run simulation run fixed formatting
08:2308:23, 4 February 2016 diff hist +8,092 m Rep:Mod:run simulation run →Velocity Verlet Algorithm
08:2108:21, 4 February 2016 diff hist −234 m Rep:Mod:run simulation run No edit summary
08:2008:20, 4 February 2016 diff hist +9,032 Rep:Mod:run simulation run →Velocity Verlet Algorithm: finished sections, did some formatting and added nbsp 's to make task tables span entire page

19:4519:45, 3 February 2016 diff hist −140 m Rep:Mod:run simulation run →Introduction
19:1119:11, 3 February 2016 diff hist +40 m Rep:Mod:run simulation run →Velocity Verlet Algorithm
16:4216:42, 3 February 2016 diff hist −453 m Rep:Mod:run simulation run →Introduction to molecular dynamics simulation: minor layout and content edits
16:0416:04, 3 February 2016 diff hist −5 m Rep:Mod:run simulation run →Thermostats and Barostats: fixed equation
16:0116:01, 3 February 2016 diff hist +6,882 Rep:Mod:run simulation run Added more content and figures
15:4515:45, 3 February 2016 diff hist +40 N File:Mod-run simulation run pte.jpg pressure, temp and energy for dt = 0.001 current
15:3715:37, 3 February 2016 diff hist +11 N File:Mod-run simulation run MSD.jpg MSD vs time
14:5614:56, 3 February 2016 diff hist +41 N File:Mod-run simulation run fluct timestep.jpg Change in energy for different time steps current
14:5614:56, 3 February 2016 diff hist +24 N File:Mod-run simulation run peaks v time.jpg error peaks against time current
14:5514:55, 3 February 2016 diff hist +46 N File:Mod-run simulation run error.jpg Error against time between analytical and x(t) current
14:5414:54, 3 February 2016 diff hist 0 N File:Mod-run simulation run position.jpg No edit summary current
14:5314:53, 3 February 2016 diff hist 0 N File:Mod-run simulation run energy.jpg No edit summary current
00:4100:41, 3 February 2016 diff hist +31,544 Rep:Mod:run simulation run Uploaded first draft of report
00:0400:04, 3 February 2016 diff hist +194 N 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. current

23:4623:46, 2 February 2016 diff hist +53 N File:Mod-run simulation run VACF.jpg VACF (8000 and 1 million atoms) and c(\tau) as cosine current
23:4323:43, 2 February 2016 diff hist +94 N File:Rdf.jpg Radial dist function and integral (gas, liq, sol) as plotyy ax(1) is for g(r), ax(2) \int g(r)
23:3623:36, 2 February 2016 diff hist +31 N File:Mod-run simulation run Intro e vs t.jpg Energy vs time for different dt current
23:3623:36, 2 February 2016 diff hist +25 N File:Mod-run simulation run heat cap.jpg heat capacity vs red temp
23:3523:35, 2 February 2016 diff hist +63 N File:Mod-run simulation run d vs t.jpg density vs temperature MD with xy error bars and ideal gas law. current
23:0723:07, 2 February 2016 diff hist +43 N File:Mod-run simulation run gif rdf solid.gif RDF, solid (first 40 frames, bcc unit cell) current
23:0723:07, 2 February 2016 diff hist +43 N File:Mod-run simulation run gif rdf liquid.gif RDF, liquid (first 40 frames, sc unit cell) current
23:0523:05, 2 February 2016 diff hist +40 N File:Mod-run simulation run gif rdf gas.gif RDF, gas (first 40 frames, sc unit cell) current
23:0323:03, 2 February 2016 diff hist +194 N 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. current

11:1211:12, 28 January 2016 diff hist +171 N Rep:Mod:run simulation run Created page and general structure

11:5111:51, 20 November 2015 diff hist +28 Rep:Mod:4815162342 →Molecular Dynamics
11:4811:48, 20 November 2015 diff hist +335 Rep:Mod:4815162342 →Molecular Dynamics
11:4111:41, 20 November 2015 diff hist +361 Rep:Mod:4815162342 →Conclusions
11:3311:33, 20 November 2015 diff hist 0 Rep:Mod:4815162342 No edit summary
11:3211:32, 20 November 2015 diff hist −12 m Rep:Mod:4815162342 →Reciprocal lattice
03:2803:28, 20 November 2015 diff hist −48 Rep:Mod:4815162342 Changed abstract
03:2603:26, 20 November 2015 diff hist +35 Rep:Mod:4815162342 No edit summary
02:4502:45, 20 November 2015 diff hist −14 m Rep:Mod:4815162342 →Conclusions
02:4402:44, 20 November 2015 diff hist +724 Rep:Mod:4815162342 →Conclusions: added conclusion.
02:3402:34, 20 November 2015 diff hist +40 m Rep:Mod:4815162342 →Internal energy and lattice constant

4 February 2016

3 February 2016

2 February 2016

28 January 2016

20 November 2015