Glotzer:Binary Mixture Module

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Simulation Description

This simulation consists of a binary-mixture of particles that interact via the Lennard-Jones Potential and the Weeks-Chandler-Andersen Potential . The system runs NVT Molecular Dynamics using the Berendsen Thermostat. The number of particles, number density and temperature are all user-modifiable variables.

Simulation Model/Method

Instructions

Installing

Running

A variety of system parameters can be modified as shown in the schematic below. To run at this statepoint, simply press the Run Simulation button. After pressing Run Simulation a visualizer window with the simulation will appear, as shown below. Note that the number of timesteps completed are displaced in the bottom left corner. Name of Run will correspond to the directory name where data will be saved. The code will crash if there are spaces or odd characters.

The simulation can be terminated from within the visualizer window by pressing "escape", "q" or select "Quit" from the application menu. Additional functionality of the visualizer can be found on the Visualizer Controls page.

(thumbnail)
Screen snapshot showing the visualizer and runtime interface.

Suggested Assignments

Phase Separation

The phase behavior of this system will be a function of both temperature and Number density.

Sample Questions

  • For Number of Particles = 512, Number density=0.9, Temperature = 0.6, hide one species, describe the formation of the domains as a function of time. Make sure you run for ~30,000 timesteps. Repeat for Temperature =0.2 (run for ~50000). Was is the impact of temperature? How does these compare to the following animations?

Examples/Links

MATDL Examples

  • Simulation snapshots of the evolution of a 2-D binary phase separating system using the Cahn-Hilliard Model, Full MatDL Record
  • Simulation snapshot of a phase separated binary mixture using [[softmatter:Dissipative Particle Dynamics| Dissipative Particle Dynamics], Full MatDL Record

Literature Examples

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