Add Sedimentation Tutorial Langevin vs. LB (#4570)

Two-dimensional lattice-Boltzmann sedimentation tutorial to show the impact of hydrodynamics effects on particle diffusion.
espressomd · Oct 1, 2022 · dc51330 · dc51330
2 parents 3636d8f + 5ae40ef
commit dc51330
Show file tree

Hide file tree

Showing 7 changed files with 714 additions and 2 deletions.
diff --git a/doc/sphinx/integration.rst b/doc/sphinx/integration.rst
@@ -440,6 +440,7 @@ Best explained in an example::
 As explained before the temperature is set as thermal energy :math:`k_\mathrm{B} T`.
 
 The Langevin thermostat is based on an extension of Newton's equation of motion to
+account for drag and collisions with a fluid:
 
 .. math::  m_i \dot{v}_i(t) = f_i(\{x_j\},v_i,t) - \gamma v_i(t) + \sqrt{2\gamma k_B T} \eta_i(t).
 

diff --git a/doc/tutorials/Readme.md b/doc/tutorials/Readme.md
@@ -39,7 +39,8 @@ physical systems.
   Simulations including hydrodynamic interactions using the Lattice-Boltzmann method.  
   Guide
   [Part 1](lattice_boltzmann/lattice_boltzmann_theory.ipynb) |
-  [Part 2](lattice_boltzmann/lattice_boltzmann_poiseuille_flow.ipynb)
+  [Part 2](lattice_boltzmann/lattice_boltzmann_poiseuille_flow.ipynb) |
+  [Part 3](lattice_boltzmann/lattice_boltzmann_sedimentation.ipynb)
 * **Polymers**  
   Modelling polymers with hydrodynamic interactions.  
   [Guide](polymers/polymers.ipynb)

diff --git a/doc/tutorials/lattice_boltzmann/CMakeLists.txt b/doc/tutorials/lattice_boltzmann/CMakeLists.txt
@@ -1,9 +1,12 @@
 configure_tutorial_target(
   TARGET tutorial_lb DEPENDS lattice_boltzmann_theory.ipynb
-  lattice_boltzmann_poiseuille_flow.ipynb figures/latticeboltzmann-grid.png
+  lattice_boltzmann_poiseuille_flow.ipynb lattice_boltzmann_sedimentation.ipynb
+  figures/latticeboltzmann-grid.png
   figures/latticeboltzmann-momentumexchange.png)
 
 nb_export(TARGET tutorial_lb SUFFIX "1" FILE "lattice_boltzmann_theory.ipynb"
           HTML_RUN)
 nb_export(TARGET tutorial_lb SUFFIX "2" FILE
           "lattice_boltzmann_poiseuille_flow.ipynb" HTML_RUN)
+nb_export(TARGET tutorial_lb SUFFIX "3" FILE
+          "lattice_boltzmann_sedimentation.ipynb" HTML_RUN)
diff --git a/doc/tutorials/lattice_boltzmann/NotesForTutor.md b/doc/tutorials/lattice_boltzmann/NotesForTutor.md
@@ -26,3 +26,19 @@ In the course of this tutorial, students should learn to:
 
 * Set up an LB fluid with LB boundaries
 * Retrieve data from the LB grid
+
+# Part 3: Sedimentation
+
+## Physics learning goals
+
+After the tutorial, students should be able to:
+
+* Describe hydrodynamic effects on particle diffusion
+
+## ESPResSo learning goals
+
+In the course of this tutorial, students should learn to:
+
+* Set up external forces on particles (e.g. gravity, constant electric field)
+* Set up particle observables and LB profile observables
+* Register observables in accumulators