CCP5 DL_MESO Practical Exercises

Welcome to the CCP5 DL_MESO Practical Exercises for DL_Software Training. These exercises have been designed to give you experience of using CCP5’s general-purpose mesoscale modelling code package DL_MESO.

DL_MESO consists of two codes and mesoscale modelling methods: Dissipative Particle Dynamics (DPD) and the Lattice Boltzmann Equation (LBE) method. While these methods work differently, they can both be used to look at systems that fit between atomistic and continuum length and time scales, with many advantages over modelling methods looking at those extremes (e.g. molecular dynamics, computational fluid dynamics).

You do not need to complete all six exercises to benefit from them: indeed, if you prefer to concentrate on one particular method or aspects of that method, please feel free to do so. All of the exercises can be completed on a standalone laptop or desktop computer, although access to a multicore machine will help speed up the calculations.

If you have not yet done so, you can download the Using DL_MESO lecture notes.

• Setting up DL_MESO
  • Summary
  • Background
  • Requirements
  • Compiling DL_MESO
  • Running DL_MESO
• Dissipative Particle Dynamics
  • Intro to Dissipative Particle Dynamics
  • Using DL_MESO_DPD
  • DPD Exercise 1: DPD, hydrophobicity and parameterisation
  • DPD Exercise 2: Mesophase behaviour with DPD
  • DPD Exercise 3: Transport properties of DPD fluids
  • DPD Exercises: Additional theory
• Lattice Boltzmann Equation
  • Intro to the Lattice Boltzmann Equation
  • Using DL_MESO_LBE
  • LBE Exercise 1: Pressure-driven flows and Kármán vortex streets
  • LBE Exercise 2: Phase separation and equations of state
  • LBE Exercise 3: Drop flows
  • LBE Exercises: Additional theory