User contributions for Wf312
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18 March 2015
- 21:4321:43, 18 March 2015 diff hist +32 Rep:Mod:Computational Liquids Will →Single Lennard-Jones interaction
- 21:4021:40, 18 March 2015 diff hist +23 Rep:Mod:Computational Liquids Will →Single Lennard-Jones interaction
- 21:3821:38, 18 March 2015 diff hist +1 Rep:Mod:Computational Liquids Will →Single Lennard-Jones interaction
- 21:3721:37, 18 March 2015 diff hist +552 Rep:Mod:Computational Liquids Will →Single Lennard-Jones interaction
- 21:2021:20, 18 March 2015 diff hist +375 Rep:Mod:Computational Liquids Will →Single Lennard-Jones interaction
- 21:1121:11, 18 March 2015 diff hist +2 Rep:Mod:Computational Liquids Will →Single Lennard-Jones interaction
- 21:1021:10, 18 March 2015 diff hist +34 Rep:Mod:Computational Liquids Will →Single Lennard-Jones interaction
- 21:0921:09, 18 March 2015 diff hist +110 Rep:Mod:Computational Liquids Will →Single Lennard-Jones interaction
- 13:5613:56, 18 March 2015 diff hist +62 Rep:Mod:Computational Liquids Will →Running Simulations Under Certain Conditions
- 12:2312:23, 18 March 2015 diff hist +125 Rep:Mod:Computational Liquids Will →Running Simulations Under Certain Conditions
17 March 2015
- 18:0418:04, 17 March 2015 diff hist +52 Rep:Mod:Computational Liquids Will No edit summary
- 17:5617:56, 17 March 2015 diff hist +34 Rep:Mod:Computational Liquids Will →Getting the Thermodynamic Output
- 17:5617:56, 17 March 2015 diff hist +40 Rep:Mod:Computational Liquids Will →Total Energy v Time 0.001 Timestep
- 17:5517:55, 17 March 2015 diff hist 0 N File:5 timesteps on 1 graph WF.PNG No edit summary current
- 17:2117:21, 17 March 2015 diff hist +18 Rep:Mod:Computational Liquids Will →Getting the Thermodynamic Output
- 17:2017:20, 17 March 2015 diff hist +104 Rep:Mod:Computational Liquids Will →Getting the Thermodynamic Output
- 17:1917:19, 17 March 2015 diff hist +1 Rep:Mod:Computational Liquids Will →Getting the Thermodynamic Output
- 17:1917:19, 17 March 2015 diff hist +38 Rep:Mod:Computational Liquids Will →Getting the Thermodynamic Output
- 17:1817:18, 17 March 2015 diff hist 0 N File:0.001 Pressure v Time WF.PNG No edit summary current
- 17:1217:12, 17 March 2015 diff hist +42 Rep:Mod:Computational Liquids Will →Getting the Thermodynamic Output
- 17:1217:12, 17 March 2015 diff hist 0 N File:0.001 Temperature v Time WF.PNG No edit summary current
- 17:0317:03, 17 March 2015 diff hist +43 Rep:Mod:Computational Liquids Will →Getting the Thermodynamic Output
- 17:0317:03, 17 March 2015 diff hist 0 N File:0.001 Total energy V Time WF.PNG No edit summary current
- 17:0317:03, 17 March 2015 diff hist +39 Rep:Mod:Computational Liquids Will →Setting the properties of the atoms
- 15:5615:56, 17 March 2015 diff hist +42 Rep:Mod:Computational Liquids Will →TASK: Estimate the number of water molecules in 1ml of water under standard conditions. Estimate the volume of 10000 water molecules under standard conditions.
- 15:5615:56, 17 March 2015 diff hist 0 N File:Liquid simulations Figure 4.jpg No edit summary current
- 15:4115:41, 17 March 2015 diff hist +20 Rep:Mod:Computational Liquids Will →TASK: Estimate the number of water molecules in 1ml of water under standard conditions. Estimate the volume of 10000 water molecules under standard conditions.
- 15:4115:41, 17 March 2015 diff hist 0 N File:Liquid simulations Figure 3.jpg No edit summary current
- 15:4115:41, 17 March 2015 diff hist +22 Rep:Mod:Computational Liquids Will →TASK: Estimate the number of water molecules in 1ml of water under standard conditions. Estimate the volume of 10000 water molecules under standard conditions.
- 15:3315:33, 17 March 2015 diff hist −2 Rep:Mod:Computational Liquids Will →Lennard-Jones parameters and reduced units
- 15:3315:33, 17 March 2015 diff hist −1 Rep:Mod:Computational Liquids Will →Cubic Simulation Atomic position
- 15:3315:33, 17 March 2015 diff hist −4 Rep:Mod:Computational Liquids Will →Theory tasks
- 15:3315:33, 17 March 2015 diff hist +168 Rep:Mod:Computational Liquids Will →Volume and number of Water Molecules
- 15:3315:33, 17 March 2015 diff hist −167 Rep:Mod:Computational Liquids Will →TASK: Estimate the number of water molecules in 1ml of water under standard conditions. Estimate the volume of 10000 water molecules under standard conditions.
- 15:3215:32, 17 March 2015 diff hist +168 Rep:Mod:Computational Liquids Will →Volume and number of Water Molecules
- 15:1315:13, 17 March 2015 diff hist +279 Rep:Mod:Computational Liquids Will →TASK: Consider again the face-centred cubic lattice from the previous task. How many atoms would be created by the create_atoms command if you had defined that lattice instead?
- 15:0815:08, 17 March 2015 diff hist +46 Rep:Mod:Computational Liquids Will →TASK: Satisfy yourself that this lattice spacing corresponds to a number density of lattice points of 0.8. Consider instead a face-centred cubic lattice with a lattice point number density of 1.2. What is the side length of the cubic unit cell?
- 15:0815:08, 17 March 2015 diff hist 0 N File:Liquid simulations Figure 2 WF.jpg No edit summary current
- 14:3914:39, 17 March 2015 diff hist +45 Rep:Mod:Computational Liquids Will →TASK: Satisfy yourself that this lattice spacing corresponds to a number density of lattice points of 0.8. Consider instead a face-centred cubic lattice with a lattice point number density of 1.2. What is the side length of the cubic unit cell?
- 14:3814:38, 17 March 2015 diff hist 0 N File:Liquid simulations Figure 1 WF.jpg No edit summary current
- 14:2414:24, 17 March 2015 diff hist +1,686 Rep:Mod:Computational Liquids Will →TASK: Why do you think giving atoms random starting coordinates causes problems in simulations? Hint: what happens if two atoms happen to be generated close together?
- 13:5813:58, 17 March 2015 diff hist +162 Rep:Mod:Computational Liquids Will →Setting the properties of the atoms
- 13:5713:57, 17 March 2015 diff hist +2 Rep:Mod:Computational Liquids Will →TASK: Using the LAMMPS manual, find the purpose of the following commands in the input script:
- 13:5713:57, 17 March 2015 diff hist +100 Rep:Mod:Computational Liquids Will →Setting the properties of the atoms
- 13:5613:56, 17 March 2015 diff hist −4 Rep:Mod:Computational Liquids Will No edit summary
- 13:5613:56, 17 March 2015 diff hist +45 Rep:Mod:Computational Liquids Will →Equilibration
- 13:5613:56, 17 March 2015 diff hist +436 Rep:Mod:Computational Liquids Will →Equilibration
- 13:5413:54, 17 March 2015 diff hist +192 Rep:Mod:Computational Liquids Will No edit summary
16 March 2015
- 13:5913:59, 16 March 2015 diff hist +231 Rep:Mod:Computational Liquids Will No edit summary
- 13:0413:04, 16 March 2015 diff hist +38 N Rep:Mod:Computational Liquids Will Created page with "Page for Liquid simulations experiment"