@NilsBerglund
  @NilsBerglund
Nils Berglund | Falling sticks @NilsBerglund | Uploaded June 2024 | Updated October 2024, 2 hours ago.
This is a preparatory simulation, for a new way to simulate interacting polygonal shapes. The particles in this simulation are very thin rectangles. They interact via a harmonic potential as soon as they come close to each other, and their dynamics is determined from the total force and torque. A weak Lennard-Jones interaction has been added for stability, but it may not be necessary.
If the motion of the sticks does not seem very realistic, this can probably be improved by tweaking the parameters (force constants of the harmonic interaction, moment of inertia, friction for the rotational dynamics). The temperature is controlled by a thermostat with constant temperature. There is a constant gravitational force directed downward.
This simulation has two parts, showing the evolution with two different color gradients:
Orientation: 0:00
Kinetic energy: 1:08
In the first part, the particles' color depends on their orientation. In the second part, it depends on their kinetic energy, averaged over a sliding time window.
To save on computation time, particles are placed into a "hash grid", each cell of which contains between 3 and 10 particles. Then only the influence of other particles in the same or neighboring cells is taken into account for each particle.
The temperature is controlled by a thermostat, implemented here with the "Nosé-Hoover-Langevin" algorithm introduced by Ben Leimkuhler, Emad Noorizadeh and Florian Theil, see reference below. The idea of the algorithm is to couple the momenta of the system to a single random process, which fluctuates around a temperature-dependent mean value. Lower temperatures lead to lower mean values.
The Lennard-Jones potential is strongly repulsive at short distance, and mildly attracting at long distance. It is widely used as a simple yet realistic model for the motion of electrically neutral molecules. The force results from the repulsion between electrons due to Pauli's exclusion principle, while the attractive part is a more subtle effect appearing in a multipole expansion. For more details, see en.wikipedia.org/wiki/Lennard-Jones_potential

Render time: 52 minutes 46 seconds
Compression: crf 23
Color scheme: Part 1 - HSL/Jet
Part 2 - Turbo, by Anton Mikhailov
gist.github.com/mikhailov-work/6a308c20e494d9e0ccc29036b28faa7a

Music: "Come and Get It!" by Dan Lebowitz@lebo_tone

Reference: Leimkuhler, B., Noorizadeh, E. & Theil, F. A Gentle Stochastic Thermostat for Molecular Dynamics. J Stat Phys 135, 261–277 (2009). doi.org/10.1007/s10955-009-9734-0
maths.warwick.ac.uk/~theil/HL12-3-2009.pdf

Current version of the C code used to make these animations:
github.com/nilsberglund-orleans/YouTube-simulations
https://www.idpoisson.fr/berglund/software.html
Some outreach articles on mathematics:
https://images.math.cnrs.fr/auteurs/nils-berglund/
(in French, some with a Spanish translation)

#molecular_dynamics #ions #quasicrystal
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Falling sticks @NilsBerglund

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