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PUBLICATIONS

Molecular Dynamics Simulation of Trimer Self-Assembly Under Shear

Published

Author(s)

Raymond D. Mountain, Harold Hatch, Vincent K. Shen

Abstract

The self-assembly of patchy trimer particles with one attractive bead and two repulsive beads is investigated with nonequilibrium molecular dynamics simulations in the presence of a velocity gradient, as would be produced by the application of a shear stress on the system. As shear is increased, globular-shaped micellar clusters increase in size and become more elongated. The globular clusters are also stabilized at higher temperatures in the presence of shear than at equilibrium. These results help to increase our understanding of the effect of shear on self-assembly for a variety of applications.
Citation
Fluid Phase Equilibria
Volume
440
Pub Type
Journals

Download Paper

https://doi.org/10.1016/j.fluid.2017.02.017
Local Download

Keywords

self-assembly, colloids, shear, computer simulation
Thermodynamics, Theoretical chemistry and modeling, Flow metrology and rheology and Atomic / molecular / quantum

Citation

Mountain, R. , Hatch, H. and Shen, V. (2017), Molecular Dynamics Simulation of Trimer Self-Assembly Under Shear, Fluid Phase Equilibria, [online], https://doi.org/10.1016/j.fluid.2017.02.017, https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=920027 (Accessed October 14, 2025)

Issues

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Created March 5, 2017, Updated October 12, 2021
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