User contributions for Lh3115

10:3610:36, 25 October 2017 diff hist +1,849 Rep:LH3115-Liquidsimulations →Tasks from the lab script
10:3510:35, 25 October 2017 diff hist 0 N File:Erroragaindsttimelh3115.PNG No edit summary current
10:3310:33, 25 October 2017 diff hist 0 N File:Varat0.1lh3115.PNG No edit summary current
10:3110:31, 25 October 2017 diff hist 0 N File:Varat0.2lh3115.PNG No edit summary current
10:2710:27, 25 October 2017 diff hist +105 Rep:LH3115-Liquidsimulations →Attached input script of heat capacity
10:2410:24, 25 October 2017 diff hist +8 Rep:LH3115-Liquidsimulations →Attached input script of heat capacity
10:2310:23, 25 October 2017 diff hist +1,756 Rep:LH3115-Liquidsimulations →Tasks:Calculating heat capacities using statistical physics
10:2110:21, 25 October 2017 diff hist +33 Rep:LH3115-Liquidsimulations →Tasks from the lab script
10:1910:19, 25 October 2017 diff hist +408 Rep:LH3115-Liquidsimulations →Abstract Tag: Visual edit
10:1310:13, 25 October 2017 diff hist +472 Rep:LH3115-Liquidsimulations →Introduction
10:0610:06, 25 October 2017 diff hist +180 Rep:LH3115-Liquidsimulations →references
10:0610:06, 25 October 2017 diff hist +538 Rep:LH3115-Liquidsimulations →Introduction
09:5709:57, 25 October 2017 diff hist +1,025 Rep:LH3115-Liquidsimulations →Conclusion
09:3909:39, 25 October 2017 diff hist +440 Rep:LH3115-Liquidsimulations →Results and Discussion
09:3209:32, 25 October 2017 diff hist +92 Rep:LH3115-Liquidsimulations →Results and Discussion
09:3009:30, 25 October 2017 diff hist +44 Rep:LH3115-Liquidsimulations →Appendix
09:2909:29, 25 October 2017 diff hist +34 Rep:LH3115-Liquidsimulations →Report
09:2809:28, 25 October 2017 diff hist +12 Rep:LH3115-Liquidsimulations →Results and Discussion
09:2709:27, 25 October 2017 diff hist +6 Rep:LH3115-Liquidsimulations /* TASK: Use the trapezium rule to approximate the integral under the velocity autocorrelation function for the solid, liquid, and gas, and use these values to estimate D in each case. You should make a plot of the running integral in each case. Are th...
09:2709:27, 25 October 2017 diff hist +1,508 Rep:LH3115-Liquidsimulations →Results and Discussion
09:2109:21, 25 October 2017 diff hist +1,459 Rep:LH3115-Liquidsimulations →Results and Discussion
09:2009:20, 25 October 2017 diff hist +1 Rep:LH3115-Liquidsimulations /* TASK: make a plot for each of your simulations (solid, liquid, and gas), showing the mean squared displacement (the "total" MSD) as a function of timestep. Are these as you would expect? Estimate D in each case. Be careful with the units! Repeat thi...
09:1909:19, 25 October 2017 diff hist +195 Rep:LH3115-Liquidsimulations →Results and Discussion
09:1609:16, 25 October 2017 diff hist +841 Rep:LH3115-Liquidsimulations →Results and Discussion
09:1509:15, 25 October 2017 diff hist +8 Rep:LH3115-Liquidsimulations /* TASK: make a plot for each of your simulations (solid, liquid, and gas), showing the mean squared displacement (the "total" MSD) as a function of timestep. Are these as you would expect? Estimate D in each case. Be careful with the units! Repeat thi...
09:1009:10, 25 October 2017 diff hist +7 Rep:LH3115-Liquidsimulations /* TASK: make a plot for each of your simulations (solid, liquid, and gas), showing the mean squared displacement (the "total" MSD) as a function of timestep. Are these as you would expect? Estimate D in each case. Be careful with the units! Repeat thi...
09:0909:09, 25 October 2017 diff hist −12 Rep:LH3115-Liquidsimulations /* TASK: make a plot for each of your simulations (solid, liquid, and gas), showing the mean squared displacement (the "total" MSD) as a function of timestep. Are these as you would expect? Estimate D in each case. Be careful with the units! Repeat thi...
09:0709:07, 25 October 2017 diff hist +2,669 Rep:LH3115-Liquidsimulations →Results and Discussion
09:0509:05, 25 October 2017 diff hist +89 Rep:LH3115-Liquidsimulations →Tasks:Structural properties and the radial distribution function
09:0009:00, 25 October 2017 diff hist +2 Rep:LH3115-Liquidsimulations →Tasks:Structural properties and the radial distribution function
08:5708:57, 25 October 2017 diff hist −2 Rep:LH3115-Liquidsimulations →Tasks:Calculating heat capacities using statistical physics
08:5508:55, 25 October 2017 diff hist +1,747 Rep:LH3115-Liquidsimulations →Results and Discussion
08:4708:47, 25 October 2017 diff hist +1 Rep:LH3115-Liquidsimulations →Results and Discussion
08:4208:42, 25 October 2017 diff hist +165 Rep:LH3115-Liquidsimulations →TASK: Given that we are specifying x_i(0) and v_i(0), which integration algorithm are we going to use?
08:4108:41, 25 October 2017 diff hist −163 Rep:LH3115-Liquidsimulations →TASK: Using the LAMMPS manual, find the purpose of the following commands in the input script:
08:4108:41, 25 October 2017 diff hist +113 Rep:LH3115-Liquidsimulations →TASK: Given that we are specifying x_i(0) and v_i(0), which integration algorithm are we going to use?
08:3808:38, 25 October 2017 diff hist +110 Rep:LH3115-Liquidsimulations →Tasks Equilibration
08:3708:37, 25 October 2017 diff hist −4 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...
08:3708:37, 25 October 2017 diff hist −8 Rep:LH3115-Liquidsimulations /* TASK: make plots of the energy, temperature, and pressure, against time for the 0.001 picosecond 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 s...
08:3208:32, 25 October 2017 diff hist +41 Rep:LH3115-Liquidsimulations →TASK: Using the LAMMPS manual, find the purpose of the following commands in the input script:
08:2908:29, 25 October 2017 diff hist −26 Rep:LH3115-Liquidsimulations →TASK: Use the manual page to find out the importance of the three numbers 100 1000 100000. How often will values of the temperature, etc., be sampled for the average? How many measurements contribute to the average? Looking to the following lin Tag: Visual edit
08:2608:26, 25 October 2017 diff hist +14 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...
08:2408:24, 25 October 2017 diff hist 0 Rep:LH3115-Liquidsimulations /* TASK: In the theoretical section at the beginning, the equation for the evolution of the position of a 1D harmonic oscillator as a function of time was given. Using this, evaluate the normalised velocity autocorrelation function for a 1D harmonic os...
08:2408:24, 25 October 2017 diff hist +7 Rep:LH3115-Liquidsimulations /* TASK: In the theoretical section at the beginning, the equation for the evolution of the position of a 1D harmonic oscillator as a function of time was given. Using this, evaluate the normalised velocity autocorrelation function for a 1D harmonic os...
08:2408:24, 25 October 2017 diff hist +12 Rep:LH3115-Liquidsimulations /* TASK: In the theoretical section at the beginning, the equation for the evolution of the position of a 1D harmonic oscillator as a function of time was given. Using this, evaluate the normalised velocity autocorrelation function for a 1D harmonic os...
08:2308:23, 25 October 2017 diff hist 0 N File:TotalVAFliqsolharmoscsecondlh3115.png No edit summary current
08:2108:21, 25 October 2017 diff hist +332 Rep:LH3115-Liquidsimulations /* TASK: Use the trapezium rule to approximate the integral under the velocity autocorrelation function for the solid, liquid, and gas, and use these values to estimate D in each case. You should make a plot of the running integral in each case. Are th...
08:1608:16, 25 October 2017 diff hist +60 Rep:LH3115-Liquidsimulations /* TASK: In the theoretical section at the beginning, the equation for the evolution of the position of a 1D harmonic oscillator as a function of time was given. Using this, evaluate the normalised velocity autocorrelation function for a 1D harmonic os...
08:1508:15, 25 October 2017 diff hist +15 Rep:LH3115-Liquidsimulations /* TASK: Use the trapezium rule to approximate the integral under the velocity autocorrelation function for the solid, liquid, and gas, and use these values to estimate D in each case. You should make a plot of the running integral in each case. Are th...
08:1508:15, 25 October 2017 diff hist +14 Rep:LH3115-Liquidsimulations /* TASK: In the theoretical section at the beginning, the equation for the evolution of the position of a 1D harmonic oscillator as a function of time was given. Using this, evaluate the normalised velocity autocorrelation function for a 1D harmonic os...

25 October 2017