Nils Berglund | Coagulating falling hexagons @NilsBerglund | Uploaded July 2024 | Updated October 2024, 2 hours ago.
The video youtu.be/UfSW2LOqbaI showed falling squares that could merge whenever two sides were close enough. This video shows a similar situation with regular hexagons, but the simulation algorithm is quite different. When two hexagons 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 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 color gradients:
Cluster: 0:00
Cluster size: 1:08
In the first part, the hexagons' color is constant on each rigid cluster, the hexagons having random initial colors. In the second part, it depends on the size of the rigid cluster the hexagon belongs to.
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: 28 minutes 2 second
Compression: crf 23
Color scheme: Part 1 - HSL/Jet
Part 2 - Inferno by Nathaniel J. Smith and Stefan van der Walt
github.com/BIDS/colormap
Music: "Oh My" by Patrick Patrikios@patrikiospatrick
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 #hexagon
The video youtu.be/UfSW2LOqbaI showed falling squares that could merge whenever two sides were close enough. This video shows a similar situation with regular hexagons, but the simulation algorithm is quite different. When two hexagons 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 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 color gradients:
Cluster: 0:00
Cluster size: 1:08
In the first part, the hexagons' color is constant on each rigid cluster, the hexagons having random initial colors. In the second part, it depends on the size of the rigid cluster the hexagon belongs to.
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: 28 minutes 2 second
Compression: crf 23
Color scheme: Part 1 - HSL/Jet
Part 2 - Inferno by Nathaniel J. Smith and Stefan van der Walt
github.com/BIDS/colormap
Music: "Oh My" by Patrick Patrikios@patrikiospatrick
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 #hexagon
