Jump to content

User contributions for Lh3115

Results for Lh3115 talk block log uploads logs

A user with 765 edits. Account created on 7 March 2016.

15:3815:38, 24 October 2017 diff hist 0 N File:Total Meansquaredisplacement of solids using fcclh3115.png No edit summary current
15:3515:35, 24 October 2017 diff hist 0 Rep:LH3115-Liquidsimulations →Tasks: Dynamical properties and the diffusion coefficient
15:3515:35, 24 October 2017 diff hist +32 Rep:LH3115-Liquidsimulations →Tasks: Dynamical properties and the diffusion coefficient
15:3315:33, 24 October 2017 diff hist 0 N File:TotalMSDgasmillion3500onwardLH3115linear.png No edit summary current
15:3215:32, 24 October 2017 diff hist +20 Rep:LH3115-Liquidsimulations →Tasks: Dynamical properties and the diffusion coefficient
15:3115:31, 24 October 2017 diff hist +6 Rep:LH3115-Liquidsimulations →Tasks: Dynamical properties and the diffusion coefficient
15:3015:30, 24 October 2017 diff hist +272 Rep:LH3115-Liquidsimulations →Tasks: Dynamical properties and the diffusion coefficient
15:2915:29, 24 October 2017 diff hist 0 N File:TotalMSDgasmillion3500onwardLh3115.png No edit summary current
15:2815:28, 24 October 2017 diff hist 0 N File:Total Meansquaredisplacement of gasesLH3115.png No edit summary current
15:2715:27, 24 October 2017 diff hist +217 Rep:LH3115-Liquidsimulations →Tasks: Dynamical properties and the diffusion coefficient
15:2715:27, 24 October 2017 diff hist 0 N File:Total Meansquaredisplacement of gases.png No edit summary current
15:2515:25, 24 October 2017 diff hist 0 N File:Total Meansquaredisplacement of gasesnormal.png No edit summary current
15:1415:14, 24 October 2017 diff hist +15 Rep:LH3115-Liquidsimulations →Tasks: Dynamical properties and the diffusion coefficient
15:0615:06, 24 October 2017 diff hist 0 N File:Total Meansquaredisplacement of gases3500lh3115.png No edit summary current
14:0514:05, 24 October 2017 diff hist +6 Rep:LH3115-Liquidsimulations →TASK: We need to choose γ so that the temperature is correct T = target T if we multiply every velocity γ. We can write two equations:
14:0414:04, 24 October 2017 diff hist −7 Rep:LH3115-Liquidsimulations →Tasks:Structural properties and the radial distribution function
14:0414:04, 24 October 2017 diff hist +18 Rep:LH3115-Liquidsimulations →Tasks:Structural properties and the radial distribution function
14:0314:03, 24 October 2017 diff hist −19 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...
14:0214:02, 24 October 2017 diff hist +429 Rep:LH3115-Liquidsimulations →Tasks:Structural properties and the radial distribution function

22:4522:45, 23 October 2017 diff hist +1,382 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...
22:1222:12, 23 October 2017 diff hist 0 N File:IntegralofRDFsmallylimlh3115.png No edit summary current
22:1122:11, 23 October 2017 diff hist +530 Rep:LH3115-Liquidsimulations →Tasks:Structural properties and the radial distribution function
21:3821:38, 23 October 2017 diff hist 0 N File:IntegralofRDFsmallylim.png No edit summary current
20:5220:52, 23 October 2017 diff hist +580 Rep:LH3115-Liquidsimulations →Tasks:Structural properties and the radial distribution function
19:5519:55, 23 October 2017 diff hist +123 Rep:LH3115-Liquidsimulations →Tasks:Structural properties and the radial distribution function
19:5419:54, 23 October 2017 diff hist 0 N File:RDFLH3115.png No edit summary current
19:5219:52, 23 October 2017 diff hist 0 N File:IntegralofRDFLH3115.png No edit summary current
16:1816:18, 23 October 2017 diff hist +234 Rep:LH3115-Liquidsimulations →Tasks from the lab script
16:0116:01, 23 October 2017 diff hist 0 N File:Heatcapcalcfixd08t22lh3115.in No edit summary current
15:5815:58, 23 October 2017 diff hist −195 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 line, ho...
15:5115:51, 23 October 2017 diff hist +325 Rep:LH3115-Liquidsimulations /* TASK: As in the last section, you need to run simulations at ten phase points. In this section, we will be in density-temperature (p*, T*) phase space, rather than pressure-temperature phase space. The two densities required at 0.2 and 0.8, and the...

21:5621:56, 22 October 2017 diff hist +362 Rep:LH3115-Liquidsimulations /* TASK: As in the last section, you need to run simulations at ten phase points. In this section, we will be in density-temperature (p*, T*) phase space, rather than pressure-temperature phase space. The two densities required at 0.2 and 0.8, and the...
21:4121:41, 22 October 2017 diff hist +771 Rep:LH3115-Liquidsimulations →Tasks:Calculating heat capacities using statistical physics
21:3321:33, 22 October 2017 diff hist +48 Rep:LH3115-Liquidsimulations →Tasks:Calculating heat capacities using statistical physics
21:3221:32, 22 October 2017 diff hist 0 N File:Heatcapacity as a functionLH3115.png No edit summary current
21:3121:31, 22 October 2017 diff hist +68 Rep:LH3115-Liquidsimulations →Tasks from the lab script
21:2921:29, 22 October 2017 diff hist +839 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...
20:3020:30, 22 October 2017 diff hist −1 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...
20:2920:29, 22 October 2017 diff hist +619 Rep:LH3115-Liquidsimulations →Tasks:Running simulations under specific conditions
20:2920:29, 22 October 2017 diff hist 0 N File:Density as a function of temperature lh3115.png No edit summary current
20:2520:25, 22 October 2017 diff hist +891 Rep:LH3115-Liquidsimulations →Tasks:Running simulations under specific conditions
18:5918:59, 22 October 2017 diff hist +8 Rep:LH3115-Liquidsimulations →TASK: We need to choose γ so that the temperature is correct T = target T if we multiply every velocity γ. We can write two equations:
18:5818:58, 22 October 2017 diff hist +7 Rep:LH3115-Liquidsimulations →TASK: We need to choose γ so that the temperature is correct T = target T if we multiply every velocity γ. We can write two equations:
18:5818:58, 22 October 2017 diff hist +21 Rep:LH3115-Liquidsimulations →TASK: We need to choose γ so that the temperature is correct T = target T if we multiply every velocity γ. We can write two equations:
18:5618:56, 22 October 2017 diff hist −1 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?
18:5618:56, 22 October 2017 diff hist −9 Rep:LH3115-Liquidsimulations →TASK: We need to choose \gamma so that the temperature is correct T = \mathfrak{T} if we multiply every velocity \gamma. We can write two equations:
18:4618:46, 22 October 2017 diff hist −462 Rep:LH3115-Liquidsimulations /* TASK: Choose 5 temperatures (above the critical temperature T* = 1.5), and two pressures (you can get a good idea of what a reasonable pressure is in Lennard-Jones units by looking at the average pressure of your simulations from the last section)....
18:4518:45, 22 October 2017 diff hist −12 Rep:LH3115-Liquidsimulations /* TASK: Choose 5 temperatures (above the critical temperature T^* = 1.5), and two pressures (you can get a good idea of what a reasonable pressure is in Lennard-Jones units by looking at the average pressure of your simulations from the last section)....
18:4418:44, 22 October 2017 diff hist +632 Rep:LH3115-Liquidsimulations →Tasks:Running simulations under specific conditions
18:4418:44, 22 October 2017 diff hist +60 Rep:LH3115-Liquidsimulations →Tasks from the lab script

Retrieved from "https://chemwiki.ch.ic.ac.uk/wiki/Special:Contributions/Lh3115"