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19 Nov 2019
Consider the following periodic system in 2 dimensions, which contains a central unit cell surrounded by 8 periodic images...
Consider the following periodic system in 2 dimensions, which contains a central unit cell surrounded by 8 periodic images. 2. Assuming that the box length of the unit cell is 10a and the interaction potential is a Lennard- Jones potential with a cut-off radius of 2.5Ï answer the following: (a) How many unique particles have been simulated? Which of the particles A, B, C and D will be subject to a force from other particles at this timestep? (b) (c)Between which two particles (A, B, C or D) is the minimum image distance the shortest? (d) Assume the diffusion constant for the particles in this system is I ÏÇns. After a simulation of 10 ns, which of the particles (A, B, C or D) will likely still be in the unit cel? Explain your answer.
Consider the following periodic system in 2 dimensions, which contains a central unit cell surrounded by 8 periodic images...
Consider the following periodic system in 2 dimensions, which contains a central unit cell surrounded by 8 periodic images. 2. Assuming that the box length of the unit cell is 10a and the interaction potential is a Lennard- Jones potential with a cut-off radius of 2.5Ï answer the following: (a) How many unique particles have been simulated? Which of the particles A, B, C and D will be subject to a force from other particles at this timestep? (b) (c)Between which two particles (A, B, C or D) is the minimum image distance the shortest? (d) Assume the diffusion constant for the particles in this system is I ÏÇns. After a simulation of 10 ns, which of the particles (A, B, C or D) will likely still be in the unit cel? Explain your answer.