Defects around nanocolloids in nematic solvents simulated by Multi-particle Collision Dynamics

• Published in: Physica A 2020-06, Vol.547, p.123862, Article 123862
• Main Authors: Reyes-Arango, Denisse, Quintana-H., Jacqueline, Armas-Pérez, Julio C., Híjar, Humberto
• Format: Article
• Language: English
• Subjects: Mesoscopic simulation techniques; Nematic colloids; Nematic flow; Topological defects
• ISSN: 0378-4371; 1873-2119
• DOI: 10.1016/j.physa.2019.123862

Colloids of nanometric size dispersed in a nematic environment are simulated using a hybrid algorithm that combines rules from Multi-particle Collision Dynamics and Molecular Dynamics. Coupling between flow and orientation fields is incorporated through the application of the Leslie–Ericksen theory for reorientation of slender rods under flow. It is found that Multi-particle Collision Dynamics sustains Saturn ring defects in the solvent when homeotropic anchoring on the colloids is considered. Changes on these topological structures induced by different anchoring strengths and spontaneous fluctuating flows are quantified. Stable defect structures around two close colloidal particles are observed that coincide with those obtained in experiments and alternative numerical techniques. Simulations of uniform nematic flow around the suspended colloid are conducted. It is found that Saturn rings are displaced along the stream direction. Large flows can separate the Saturn ring from the colloid, though the motion of the defect and the suspended particle reaches a steady state where disclinations are aligned with the streamlines. •Multi-particle Collision Dynamics is extended to simulate colloids in nematic fluids.•The method is able to simulate quadrupolar defects in nematic solvents.•Known topological defects around two colloids in a nematic solvent are observed.•Disclinations around colloids are displaced by flow and follow the streamlines.•The proposed algorithm is a potentially useful tool for simulating nematic colloids.