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Title: Minimal physical requirements for crystal growth self-poisoning

Self-poisoning is a kinetic trap that can impair or prevent crystal growth in a wide variety of physical settings. In this paper, we use dynamic mean-field theory and computer simulation to argue that poisoning is ubiquitous because its emergence requires only the notion that a molecule can bind in two (or more) ways to a crystal; that those ways are not energetically equivalent; and that the associated binding events occur with sufficiently unequal probability. If these conditions are met then the steady-state growth rate is in general a non-monotonic function of the thermodynamic driving force for crystal growth, which is the characteristic of poisoning. Finally, our results also indicate that relatively small changes of system parameters could be used to induce recovery from poisoning.
 [1] ;  [2] ;  [2]
  1. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  2. Kansas State Univ., Manhattan, KS (United States)
Publication Date:
Grant/Contract Number:
AC02-05CH11231; R01GM107487; CNS-1006860; EPS-1006860; EPS-0919443
Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 144; Journal Issue: 6; Journal ID: ISSN 0021-9606
American Institute of Physics (AIP)
Research Org:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Kansas State Univ., Manhattan, KS (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); National Inst. of Health (NIH) (United States); National Science Foundation (NSF)
Country of Publication:
United States
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; crystal growth; mean field theory; proteins; crystal structure; spatial analysis
OSTI Identifier:
Alternate Identifier(s):
OSTI ID: 1237770