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Title: Minimal physical requirements for crystal growth self-poisoning

Abstract

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.

Authors:
 [1];  [2];  [2]
+ Show Author Affiliations
  1. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  2. Kansas State Univ., Manhattan, KS (United States)
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES); National Inst. of Health (NIH) (United States); National Science Foundation (NSF)
OSTI Identifier:
1379091
Alternate Identifier(s):
OSTI ID: 1237770
Grant/Contract Number:  
AC02-05CH11231; R01GM107487; CNS-1006860; EPS-1006860; EPS-0919443
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 144; Journal Issue: 6; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; crystal growth; mean field theory; proteins; crystal structure; spatial analysis

Citation Formats

Whitelam, Stephen, Dahal, Yuba Raj, and Schmit, Jeremy D. Minimal physical requirements for crystal growth self-poisoning. United States: N. p., 2016. Web. doi:10.1063/1.4941457.
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Whitelam, Stephen, Dahal, Yuba Raj, & Schmit, Jeremy D. Minimal physical requirements for crystal growth self-poisoning. United States. https://doi.org/10.1063/1.4941457
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Whitelam, Stephen, Dahal, Yuba Raj, and Schmit, Jeremy D. Wed . "Minimal physical requirements for crystal growth self-poisoning". United States. https://doi.org/10.1063/1.4941457. https://www.osti.gov/servlets/purl/1379091.
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@article{osti_1379091,
title = {Minimal physical requirements for crystal growth self-poisoning},
author = {Whitelam, Stephen and Dahal, Yuba Raj and Schmit, Jeremy D.},
abstractNote = {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.},
doi = {10.1063/1.4941457},
journal = {Journal of Chemical Physics},
number = 6,
volume = 144,
place = {United States},
year = {Wed Feb 10 00:00:00 EST 2016},
month = {Wed Feb 10 00:00:00 EST 2016}
}
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Journal Article:
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Publisher's Version of Record
https://doi.org/10.1063/1.4941457
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