Jump to content

User contributions for Otr12

Results for Otr12 talk block log uploads logs

A user with 1,699 edits. Account created on 24 March 2013.

21:1421:14, 23 November 2017 diff hist +31,954 N Talk:MDS:Yiming Xu Created page with "'''Abstract''' Molecular dynamics simulation is an important tool to give macroscopic properties from microscopic interactions. A simple simulation of neutral partciles - a L..."
16:5316:53, 23 November 2017 diff hist +741 Talk:LiquidSimsJEF15 No edit summary current
16:4716:47, 23 November 2017 diff hist +605 Talk:LiquidSimsJEF15 →Results and Discussion
16:3116:31, 23 November 2017 diff hist +104 Talk:LiquidSimsJEF15 →Methods
16:1316:13, 23 November 2017 diff hist +201 Talk:LiquidSimsJEF15 →Methods
16:1216:12, 23 November 2017 diff hist −1 Talk:LiquidSimsJEF15 →Aims and Objectives
16:1116:11, 23 November 2017 diff hist 0 Talk:LiquidSimsJEF15 →Aims and Objectives
16:1116:11, 23 November 2017 diff hist +126 Talk:LiquidSimsJEF15 →Aims and Objectives
16:1016:10, 23 November 2017 diff hist +516 Talk:LiquidSimsJEF15 →Aims and Objectives
16:0516:05, 23 November 2017 diff hist +2 Talk:LiquidSimsJEF15 →Introduction
16:0416:04, 23 November 2017 diff hist +775 Talk:LiquidSimsJEF15 →Introduction
15:5315:53, 23 November 2017 diff hist +593 Talk:LiquidSimsJEF15 →Abstract
15:4915:49, 23 November 2017 diff hist +657 Talk:LiquidSimsJEF15 →Tasks
15:4315:43, 23 November 2017 diff hist +235 Talk:LiquidSimsJEF15 →Tasks
15:4015:40, 23 November 2017 diff hist +580 Talk:LiquidSimsJEF15 →Tasks
15:2915:29, 23 November 2017 diff hist +34,126 N Talk:LiquidSimsJEF15 Created page with "=Tasks= '''<big>TASK</big>: Open the file HO.xls. In it, the velocity-Verlet algorithm is used to model the behaviour of a classical harmonic oscillator. Complete the three co..."

16:5216:52, 3 November 2017 diff hist +151 Talk:Wdmn 3rd Year Liquid Simulations →Results and Discussion current
16:5116:51, 3 November 2017 diff hist +179 Talk:Wdmn 3rd Year Liquid Simulations →Results and Discussion
16:4916:49, 3 November 2017 diff hist +153 Talk:Wdmn 3rd Year Liquid Simulations →Model and Methodology
16:4816:48, 3 November 2017 diff hist +240 Talk:Wdmn 3rd Year Liquid Simulations →Introduction
16:4516:45, 3 November 2017 diff hist +1 Talk:Wdmn 3rd Year Liquid Simulations →Abstract
16:4416:44, 3 November 2017 diff hist +225 Talk:Wdmn 3rd Year Liquid Simulations →Abstract
16:4316:43, 3 November 2017 diff hist 0 Talk:LH3115-Liquidsimulations No edit summary current
16:4216:42, 3 November 2017 diff hist +44,663 N Talk:Wdmn 3rd Year Liquid Simulations Created page with "== Report == ===Abstract=== Molecular dynamic simulations are a well developed technique for probing the qualities of liquids. Here, the temperature dependency of number den..."
16:3816:38, 3 November 2017 diff hist +197 Talk:LH3115-Liquidsimulations No edit summary
16:3716:37, 3 November 2017 diff hist +50 Talk:LH3115-Liquidsimulations →Conclusion
16:3616:36, 3 November 2017 diff hist +674 Talk:LH3115-Liquidsimulations →Results and Discussion
16:1216:12, 3 November 2017 diff hist +142 Talk:LH3115-Liquidsimulations →Method
16:1016:10, 3 November 2017 diff hist +78 Talk:LH3115-Liquidsimulations →Introduction
16:0916:09, 3 November 2017 diff hist +39,251 N Talk:LH3115-Liquidsimulations Created page with "==Tasks from the lab script== ===Tasks Introduction to molecular dynamics simulation=== ====TASK: Open the file HO.xls. In it, the velocity-Verlet algorithm is used to model..."
11:5011:50, 3 November 2017 diff hist +406 Rep:LH3115-Liquidsimulations →Abstract
11:4711:47, 3 November 2017 diff hist +214 Rep:LH3115-Liquidsimulations →Tasks: Dynamical properties and the diffusion coefficient
11:4411:44, 3 November 2017 diff hist +305 Rep:LH3115-Liquidsimulations /* TASK: perform simulations of the Lennard-Jones system in the three phases. When each is complete, download the trajectory and calculate g(r) and integral of g(r). Plot the RDFs for the three systems on the same axes, and attach a copy to your report...
11:2611:26, 3 November 2017 diff hist +453 Rep:LH3115-Liquidsimulations →Tasks:Calculating heat capacities using statistical physics
11:2211:22, 3 November 2017 diff hist +24 Rep:LH3115-Liquidsimulations /* TASK: When your simulations have finished, download the log files as before. At the end of the log file, LAMMPS will output the values and errors for the pressure, temperature, and density. Use software of your choice to plot the density as a functi...
11:2211:22, 3 November 2017 diff hist +112 Rep:LH3115-Liquidsimulations →Tasks:Running simulations under specific conditions
11:2111:21, 3 November 2017 diff hist +36 Rep:LH3115-Liquidsimulations /* TASK: make plots of the energy, temperature, and pressure, against time for the 0.001 time step 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...
11:2011:20, 3 November 2017 diff hist +35 Rep:LH3115-Liquidsimulations →TASK: Given that we are specifying x_i(0) and v_i(0), which integration algorithm are we going to use?
11:2011:20, 3 November 2017 diff hist +70 Rep:LH3115-Liquidsimulations →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?
11:1911:19, 3 November 2017 diff hist +133 Rep:LH3115-Liquidsimulations →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?
11:1911:19, 3 November 2017 diff hist +41 Rep:LH3115-Liquidsimulations →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?:
11:1911:19, 3 November 2017 diff hist +36 Rep:LH3115-Liquidsimulations →TASK: For a single Lennard-Jones interaction
11:1811:18, 3 November 2017 diff hist +35 Rep:LH3115-Liquidsimulations /* TASK: Experiment with different values of the timestep. What sort of a timestep do you need to use to ensure that the total energy does not change by more than 1% over the course of your "simulation"? Why do you think it is important to monitor the...
05:4505:45, 3 November 2017 diff hist 0 Talk:EMMdssl2017 No edit summary current
05:4405:44, 3 November 2017 diff hist −1 Talk:EMMdssl2017 →Running simulations under specific conditions
05:3705:37, 3 November 2017 diff hist 0 Talk:Third Year Liquid Simulations KKL115 No edit summary current
05:3605:36, 3 November 2017 diff hist +1 Talk:Jd2615 comp liq No edit summary current
05:3605:36, 3 November 2017 diff hist 0 Talk:Third Year Liquid Simulations KKL115 No edit summary
05:3605:36, 3 November 2017 diff hist +329 Talk:Jd2615 comp liq No edit summary
05:3305:33, 3 November 2017 diff hist +254 Talk:Jd2615 comp liq →VACF Plot

Retrieved from "https://chemwiki.ch.ic.ac.uk/wiki/Special:Contributions/Otr12"