We systematically study the design of simple patchy sphere models that reversibly self-assemble into monodisperse icosahedral clusters. We find that the optimal patch width is a compromise between structural specificity (the patches must be narrow enough to energetically select the desired clusters) and kinetic accessibility (they must be sufficiently wide to avoid kinetic traps). Similarly, for good yields the temperature must be low enough for the clusters to be thermodynamically stable, but the clusters must also have enough thermal energy to allow incorrectly formed bonds to be broken. Ordered clusters can form through a number of different dynamic pathways, including direct nucleation and indirect pathways involving large disordered intermediates. The latter pathway is related to a reentrant liquid-to-gas transition that occurs for intermediate patch widths upon lowering the temperature. We also find that the assembly process is robust to inaccurate patch placement up to a certain threshold and that it is possible to replace the five discrete patches with a single ring patch with no significant loss in yield.
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Univ Autonoma Metropolitana Iztapalapa, Dept Fis, Mexico City, DF, MexicoUniv Autonoma Metropolitana Iztapalapa, Dept Fis, Mexico City, DF, Mexico
Machorro-Martinez, Brian Ignacio
Gutierrez, Anthony B.
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Univ Autonoma Metropolitana Iztapalapa, Dept Quim, Mexico City, DF, MexicoUniv Autonoma Metropolitana Iztapalapa, Dept Fis, Mexico City, DF, Mexico
Gutierrez, Anthony B.
Quintana, Jacqueline
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Univ Nacl Autonoma Mexico, Inst Quim, Mexico City, DF, MexicoUniv Autonoma Metropolitana Iztapalapa, Dept Fis, Mexico City, DF, Mexico
Quintana, Jacqueline
Armas-Perez, Julio C.
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Univ Guanajuato, Div Ciencias Ingn, Campus Leon, Leon, Gto, MexicoUniv Autonoma Metropolitana Iztapalapa, Dept Fis, Mexico City, DF, Mexico
Armas-Perez, Julio C.
Mendoza-Espinosa, Paola
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Univ Nacl Autonoma Mexico, Inst Quim, Mexico City, DF, Mexico
Tecnol Monterrey, Inst Obes Res, Monterrey, NL, MexicoUniv Autonoma Metropolitana Iztapalapa, Dept Fis, Mexico City, DF, Mexico
Mendoza-Espinosa, Paola
Chapela, Gustavo A.
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Univ Autonoma Metropolitana Iztapalapa, Dept Fis, Mexico City, DF, MexicoUniv Autonoma Metropolitana Iztapalapa, Dept Fis, Mexico City, DF, Mexico