User contributions for Wf312

25 March 2015

• 18:2718:27, 25 March 2015 diff hist 0 N File:New Figure 2 WF.PNG No edit summary current
• 18:2618:26, 25 March 2015 diff hist +20 Rep:Mod:Computational Liquids Will →Make plots of the energy, temperature, and pressure, against time for the 0.001 timestep experiment (attach a picture to your report)
• 18:2618:26, 25 March 2015 diff hist 0 N File:New Figure 1 WF.PNG No edit summary current
• 18:2318:23, 25 March 2015 diff hist −247 Rep:Mod:Computational Liquids Will →Total Energy v Time 0.001 Timestep
• 18:0618:06, 25 March 2015 diff hist +40 Rep:Mod:Computational Liquids Will →Of the five timesteps that you used, which is the largest to give acceptable results? Which one of the five is a particularly bad choice? Why?
• 18:0618:06, 25 March 2015 diff hist 0 N File:Another file 4 da wiki WF.PNG No edit summary current
• 18:0018:00, 25 March 2015 diff hist +391 Rep:Mod:Computational Liquids Will →Does the simulation reach equilibrium?
• 17:5817:58, 25 March 2015 diff hist +39 Rep:Mod:Computational Liquids Will →Make a single plot which shows the energy versus time for all of the timesteps
• 17:5717:57, 25 March 2015 diff hist −36 Rep:Mod:Computational Liquids Will →Getting the Thermodynamic Output
• 17:5717:57, 25 March 2015 diff hist −75 Rep:Mod:Computational Liquids Will →Comparing the five timesteps
• 17:5717:57, 25 March 2015 diff hist +283 Rep:Mod:Computational Liquids Will →Make plots of the energy, temperature, and pressure, against time for the 0.001 timestep experiment (attach a picture to your report)
• 17:5617:56, 25 March 2015 diff hist −285 Rep:Mod:Computational Liquids Will →Getting the Thermodynamic Output
• 17:5617:56, 25 March 2015 diff hist +474 Rep:Mod:Computational Liquids Will →Examining the Script
• 17:5317:53, 25 March 2015 diff hist −863 Rep:Mod:Computational Liquids Will /* Make plots of the energy, temperature, and pressure, against time for the 0.001 timestep experiment (attach a picture to your report). Does the simulation reach equilibrium? How long does this take? When you have done this, make a single plot which...
• 17:5217:52, 25 March 2015 diff hist +864 Rep:Mod:Computational Liquids Will →Setting the properties of the atoms
• 17:5017:50, 25 March 2015 diff hist +874 Rep:Mod:Computational Liquids Will →Examining the Script
• 17:4317:43, 25 March 2015 diff hist +682 Rep:Mod:Computational Liquids Will →TASK: Given that we are specifying \mathbf{x}_i\left(0\right) and \mathbf{v}_i\left(0\right), which integration algorithm are we going to use?
• 17:4117:41, 25 March 2015 diff hist +121 Rep:Mod:Computational Liquids Will →TASK: Given that we are specifying \mathbf{x}_i\left(0\right) and \mathbf{v}_i\left(0\right), which integration algorithm are we going to use?
• 17:3517:35, 25 March 2015 diff hist −66 Rep:Mod:Computational Liquids Will →TASK: Given that we are specifying \mathbf {x}}_{i}\left(0\right /math and \mathbf {v}}_{i}\left(0\right), which integration algorithm are we going to use?
• 17:3517:35, 25 March 2015 diff hist +80 Rep:Mod:Computational Liquids Will →TASK: Given that we are specifying {\mathbf {x}}_{i}\left(0\right) and {\mathbf {v}}_{i}\left(0\right), which integration algorithm are we going to use?
• 17:3417:34, 25 March 2015 diff hist +90 Rep:Mod:Computational Liquids Will →Setting the properties of the atoms
• 17:2617:26, 25 March 2015 diff hist +92 Rep:Mod:Computational Liquids Will →Setting the properties of the atoms
• 17:2517:25, 25 March 2015 diff hist +516 Rep:Mod:Computational Liquids Will →Setting the properties of the atoms
• 17:1717:17, 25 March 2015 diff hist +1,291 Rep:Mod:Computational Liquids Will →Setting the properties of the atoms
• 17:0317:03, 25 March 2015 diff hist +2 Rep:Mod:Computational Liquids Will →Setting the properties of the atoms
• 17:0217:02, 25 March 2015 diff hist +57 Rep:Mod:Computational Liquids Will →TASK: Using the LAMMPS manual, find the purpose of the following commands in the input script:

19 March 2015

• 22:0922:09, 19 March 2015 diff hist +4 Rep:Mod:Computational Liquids Will →Evaluate the integral \int_{3\sigma}^\infty \phi\left(r\right)\mathrm{d}r
• 22:0822:08, 19 March 2015 diff hist +23 Rep:Mod:Computational Liquids Will →Evaluate the integral \int_{3\sigma}^\infty \phi\left(r\right)\mathrm{d}r
• 22:0422:04, 19 March 2015 diff hist +2 Rep:Mod:Computational Liquids Will →Evaluate the integral \int_{3\sigma}^\infty \phi\left(r\right)\mathrm{d}r
• 22:0322:03, 19 March 2015 diff hist +42 Rep:Mod:Computational Liquids Will →=Evaluate the integral \int_{3\sigma}^\infty \phi\left(r\right)\mathrm{d}r
• 22:0322:03, 19 March 2015 diff hist +43 Rep:Mod:Computational Liquids Will →Evaluate the integral \int_{2.5\sigma}^\infty \phi\left(r\right)\mathrm{d}r
• 22:0322:03, 19 March 2015 diff hist −138 Rep:Mod:Computational Liquids Will →Evaluate the integral \int_{2\sigma}^\infty \phi\left(r\right)\mathrm{d}r
• 22:0222:02, 19 March 2015 diff hist +76 Rep:Mod:Computational Liquids Will →Integral 3
• 22:0122:01, 19 March 2015 diff hist +79 Rep:Mod:Computational Liquids Will →Integral 2
• 22:0122:01, 19 March 2015 diff hist +259 Rep:Mod:Computational Liquids Will →Integral 1
• 21:5121:51, 19 March 2015 diff hist +2 Rep:Mod:Computational Liquids Will →In the solid case, illustrate which lattice sites the first three peaks correspond to.
• 21:5121:51, 19 March 2015 diff hist −181 Rep:Mod:Computational Liquids Will →In the solid case, illustrate which lattice sites the first three peaks correspond to.
• 21:5021:50, 19 March 2015 diff hist 0 N File:CubeforwikiWF.PNG No edit summary current
• 21:5021:50, 19 March 2015 diff hist +296 Rep:Mod:Computational Liquids Will →In the solid case, illustrate which lattice sites the first three peaks correspond to.
• 21:1321:13, 19 March 2015 diff hist −1 Rep:Mod:Computational Liquids Will →What does the above tell us about the lattice system in each phase?
• 21:1321:13, 19 March 2015 diff hist +1,896 Rep:Mod:Computational Liquids Will →What does the above tell us about the lattice system in each phase?
• 20:2220:22, 19 March 2015 diff hist +36 Rep:Mod:Computational Liquids Will →Structural properties and the radial distribution function
• 20:2120:21, 19 March 2015 diff hist +906 Rep:Mod:Computational Liquids Will →What do we expect to find?
• 20:1220:12, 19 March 2015 diff hist +862 Rep:Mod:Computational Liquids Will →What do we expect to find?
• 20:0420:04, 19 March 2015 diff hist +859 Rep:Mod:Computational Liquids Will →Structural properties and the radial distribution function
• 19:5319:53, 19 March 2015 diff hist +41 Rep:Mod:Computational Liquids Will →Section 7
• 19:5219:52, 19 March 2015 diff hist +49 Rep:Mod:Computational Liquids Will →Section 6
• 19:5219:52, 19 March 2015 diff hist +43 Rep:Mod:Computational Liquids Will →Calculating heat capacities using statistical physics
• 19:5119:51, 19 March 2015 diff hist +121 Rep:Mod:Computational Liquids Will →Calculating heat capacities using statistical physics
• 19:4919:49, 19 March 2015 diff hist +141 Rep:Mod:Computational Liquids Will →Calculating heat capacities using statistical physics