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Random sequential adsorption of partially ordered discorectangles onto a continuous plane
Nikolai I Lebovka1,2, Nikolai V Vygornitskii1, Yuri Yu Tarasevich3
1Department of Physical Chemistry of Disperse Minerals, F. D. Ovcharenko Institute of Biocolloidal Chemistry, NAS of Ukraine, Kyiv 03142, Ukraine.
Physical Review. E
|September 18, 2020
Summary
Computer simulations reveal how particle shape and alignment influence packing density during random sequential adsorption. Preferential alignment significantly alters the jamming state and structural properties of discorectangles.
Area of Science:
- Physics
- Materials Science
- Computational Chemistry
Background:
- Random sequential adsorption (RSA) is a fundamental process in materials science.
- Understanding particle packing is crucial for designing materials with specific properties.
Purpose of the Study:
- To investigate the impact of discorectangle aspect ratio and deposition anisotropy on packing fraction.
- To analyze the structure and connectivity of jammed states formed by discorectangles.
Main Methods:
- Computer simulations of random sequential adsorption.
- Analysis of particle orientation distributions during deposition.
- Characterization of jammed states using pore-space analysis with disks of varying diameters.
Main Results:
- Packing fraction at the jamming state (φj) is sensitive to discorectangle aspect ratio (ɛ) and alignment.
- Partial ordering significantly affects φj(ɛ) dependencies, shifting characteristic cusps.
- Pore structure analysis reveals details of the jammed state's connectivity and void space.
Conclusions:
- Discorectangle alignment is a critical parameter controlling the final packing density and microstructure.
- The study provides insights into the formation of anisotropic jammed states.
- Results are relevant for understanding granular materials, thin-film deposition, and self-assembly processes.
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