Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 135, Issue 10, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.3635775
Keywords
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Funding
- National Institute Of Allergy And Infectious Diseases [R01AI080791]
- Engineering and Physical Sciences Research Council (UK) [EP/G038074/1, EP/I003797/1]
- National Science Foundation (NSF) through the Brandeis Materials Research Science and Engineering Center (MRSEC)
- Division Of Materials Research
- Direct For Mathematical & Physical Scien [0820492] Funding Source: National Science Foundation
- Office of Advanced Cyberinfrastructure (OAC)
- Direct For Computer & Info Scie & Enginr [0910735] Funding Source: National Science Foundation
- Engineering and Physical Sciences Research Council [EP/I003797/1, EP/G038074/1] Funding Source: researchfish
- EPSRC [EP/G038074/1, EP/I003797/1] Funding Source: UKRI
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In self-assembly processes, kinetic trapping effects often hinder the formation of thermodynamically stable ordered states. In a model of viral capsid assembly and in the phase transformation of a lattice gas, we show how simulations in a self-assembling steady state can be used to identify two distinct mechanisms of kinetic trapping. We argue that one of these mechanisms can be adequately captured by kinetic rate equations, while the other involves a breakdown of theories that rely on cluster size as a reaction coordinate. We discuss how these observations might be useful in designing and optimising self-assembly reactions. (C) 2011 American Institute of Physics. [doi:10.1063/1.3635775]
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