User contributions for Aa11413

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
02:2902:29, 20 November 2015 diff hist −68 m Rep:Mod:4815162342 →Program
02:2502:25, 20 November 2015 diff hist +68 Rep:Mod:4815162342 →Molecular Dynamics
02:2302:23, 20 November 2015 diff hist +185 Rep:Mod:4815162342 →Quasi-harmonic approximation
02:1902:19, 20 November 2015 diff hist +82 Rep:Mod:4815162342 →Diatomic chain
02:1902:19, 20 November 2015 diff hist −201 Rep:Mod:4815162342 →3 Dimensional lattice
02:1502:15, 20 November 2015 diff hist +108 Rep:Mod:4815162342 →Diatomic chain
02:0702:07, 20 November 2015 diff hist −16 m Rep:Mod:4815162342 →Monoatomic chain
02:0202:02, 20 November 2015 diff hist +33 Rep:Mod:4815162342 →Reciprocal lattice: added ref
01:5501:55, 20 November 2015 diff hist +156 Rep:Mod:4815162342 →Thermal expansion: added ref and spellchecked
01:4201:42, 20 November 2015 diff hist +14,479 Rep:Mod:4815162342 Finished all sections except references

23:0823:08, 19 November 2015 diff hist 0 File:4815162342 Phonon DOS.jpg Aa11413 uploaded a new version of File:4815162342 Phonon DOS.jpg current
21:5021:50, 19 November 2015 diff hist 0 File:4815162342 A vs T.jpg Aa11413 uploaded a new version of File:4815162342 A vs T.jpg current
21:4221:42, 19 November 2015 diff hist +31 N File:4815162342 A vs T.jpg Lattice constant vs temperature
21:4021:40, 19 November 2015 diff hist +54 N File:4815162342 F vs T.jpg Free energy vs temperature using MD and quasi harmonic current
20:4020:40, 19 November 2015 diff hist +157 N 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 current
17:3617:36, 19 November 2015 diff hist +130 N 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 current
14:0914:09, 19 November 2015 diff hist +148 N 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) current
14:0814:08, 19 November 2015 diff hist +150 N 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) current

23:3723:37, 18 November 2015 diff hist +4,945 Rep:Mod:4815162342 Added more to results and discussion
23:3323:33, 18 November 2015 diff hist 0 File:4815162342 F V melt.jpg Aa11413 uploaded a new version of File:4815162342 F V melt.jpg current
23:0323:03, 18 November 2015 diff hist +125 N File:4815162342 F V melt.jpg Cell volume and free energy against temperature [100K, 4000K] for MgO (2x2x2 supercell). Calculated using molecular dynamics.

22:2522:25, 17 November 2015 diff hist +3,059 Rep:Mod:4815162342 Added volume relationships between primitive and conventional cell, added part of result and discussion, experimental, phonon dos and phonon disp + minor changes
22:2022:20, 17 November 2015 diff hist +161 N 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. current
22:0722:07, 17 November 2015 diff hist +249 N 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.
14:4414:44, 17 November 2015 diff hist +1,496 Rep:Mod:4815162342 worked on harmonic phonon model section
12:3212:32, 17 November 2015 diff hist +500 Rep:Mod:4815162342 →Thermal expansion: added description of α

22:1722:17, 16 November 2015 diff hist +77 Rep:Mod:4815162342 Added MgO structure
22:1722:17, 16 November 2015 diff hist +79 N File:4815162342 MgO.png Structure of magnesium oxide. Blue = Mg, Red = O. created with CrystalMaker 9.2 current
20:5320:53, 16 November 2015 diff hist 0 File:4815162342 1D monoatomic.png Aa11413 uploaded a new version of File:4815162342 1D monoatomic.png current
20:4320:43, 16 November 2015 diff hist +22 Rep:Mod:4815162342 →Harmonic phonon model: changed fig. description
20:3920:39, 16 November 2015 diff hist +235 Rep:Mod:4815162342 Added picture
20:2920:29, 16 November 2015 diff hist +176 N 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.
15:2515:25, 16 November 2015 diff hist +888 Rep:Mod:4815162342 thermal expansion rearranging alpha for plot + minor edits in other sections
13:2513:25, 16 November 2015 diff hist +1,616 Rep:Mod:4815162342 worked on intro to QH, made notes

19:5119:51, 15 November 2015 diff hist +1,001 Rep:Mod:4815162342 basic description and conversion between conventional and primitive cell
16:0616:06, 15 November 2015 diff hist −79 Rep:Mod:4815162342 Added links
15:4415:44, 15 November 2015 diff hist +221 Rep:Mod:4815162342 Added (empty) sections
15:2015:20, 15 November 2015 diff hist +1,849 Rep:Mod:4815162342 Added "abstract" (first bit before TOC) Tag: Visual edit: Switched
14:0514:05, 15 November 2015 diff hist +42 N Rep:Mod:4815162342 Created title

28 January 2016

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