Physics of shell assembly: line tension, hole implosion, and closure catastrophe

The Journal of Chemical Physics
Antoni LuqueRobijn Bruinsma

Abstract

The self-assembly of perfectly ordered closed shells is a challenging process involved in many biological and nanoscale systems. However, most of the aspects that determine their formation are still unknown. Here we investigate the growth of shells by simulating the assembly of spherical structures made of N identical subunits. Remarkably, we show that the formation and energetics of partially assembled shells are dominated by an effective line-tension that can be described in simple thermodynamic terms. In addition, we unveil two mechanisms that can prevent the correct formation of defect-free structures: "hole implosion," which leads to a premature closure of the shell; and "closure catastrophe," which causes a dramatic production of structural disorder during the later stages of the growth of big shells.

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Citations

Feb 8, 2014·Science·Guangnan MengVinothan N Manoharan
Sep 1, 2015·Science·Vinothan N Manoharan
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Dec 12, 2020·Microorganisms·Antoni LuqueSimon White
Mar 9, 2021·ACS Nano·Farzaneh MohajeraniMichael F Hagan
Jun 1, 2021·ACS Central Science·Yaohua LiMonica Olvera de la Cruz
Feb 20, 2014·Journal of the American Chemical Society·Elizabeth E PiersonMartin F Jarrold
Sep 8, 2021·ACS Nano·Manuel Martín-BravoDavid J Wales

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