@NilsBerglund
  @NilsBerglund
Nils Berglund | Growth of a mono-quasicrystal from pentagons @NilsBerglund | Uploaded July 2024 | Updated October 2024, 1 minute ago.
This simulation of merging pentagons uses a somewhat different rule than previous simulations on this channel. At the beginning, one pentagon is singled out, and other pentagons are only allowed to merge with the cluster containing this pentagon. As a result, there is only one large cluster growing, and defects due to merging clusters are reduced.
Whenever two pentagons merge, they form a rigid cluster, which is henceforth considered as a single solid. This polygonal solid evolves according to the laws of Newtonian mechanics, as a result of the forces exerted on it from other polygonal solids. To help pentagons coagulate, a torque has been added between pentagons that are close that helps them to match their orientation.
Particularly when the clusters become large, the merging sometimes results in an imperfect alignment of the parts. Therefore, a "repair" function has been added, that examines each cluster at regular time intervals. It computes the ideal relative placement of adjacent pentagons, and pushes the pentagons in that direction in little steps.
To compute the force and torque of polygon j on polygon i, the code computes the distance of each vertex of polygon j to the faces of polygon i. If this distance is smaller than a threshold, the force increases linearly with a large spring constant. In addition, radial forces between the vertices of the polygons have been added, whenever a vertex of polygon j is not on a perpendicular to a face of polygon i. This is important, because otherwise polygons can approach each other from the vertices, and when one vertex moves sideways, it is suddenly strongly accelerated, causing numerical instability. A weak Lennard-Jones interaction between polygons has been added, as it seems to increase numerical stability.
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 playback speeds:
Time lapse: 0:00
Normal speed: 1:37
In the first part, the speed has been multiplied by a factor 3.
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: 1 hour 16 minutes
Compression: crf 23
Color scheme: Viridis by Nathaniel J. Smith, Stefan van der Walt and Eric Firing
github.com/BIDS/colormap

Music: "URL Melt" by the Unicorn Heads@UnicornHeads

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 #polygon #quasicrystal
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Growth of a mono-quasicrystal from pentagons @NilsBerglund

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