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Title: Induction time of a polymorphic transformation

Abstract

We analyze the processes governing the lifetimes of transient metastable polymorphs, within the context of classical nucleation theory.

Authors:
ORCiD logo [1]; ORCiD logo [1]
  1. Department of Materials Science and Engineering; Massachusetts Institute of Technology; Cambridge; USA; Materials Sciences Division
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Center for Next Generation of Materials by Design: Incorporating Metastability (CNGMD)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1469875
DOE Contract Number:  
AC36-99GO10337
Resource Type:
Journal Article
Journal Name:
CrystEngComm
Additional Journal Information:
Journal Volume: 19; Journal Issue: 31; Related Information: CNGMD partners with National Renewable Energy Laboratory (lead); Colorado School of Mines; Harvard University; Lawrence Berkeley National Laboratory; Massachusetts Institute of Technology; Oregon State University; SLAC National Accelerator Laboratory; Journal ID: ISSN 1466-8033
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
solar (photovoltaic), solar (fuels), solid state lighting, phonons, thermoelectric, hydrogen and fuel cells, defects, charge transport, optics, materials and chemistry by design, synthesis (novel materials)

Citation Formats

Sun, Wenhao, and Ceder, Gerbrand. Induction time of a polymorphic transformation. United States: N. p., 2017. Web. doi:10.1039/c7ce00766c.
Sun, Wenhao, & Ceder, Gerbrand. Induction time of a polymorphic transformation. United States. doi:10.1039/c7ce00766c.
Sun, Wenhao, and Ceder, Gerbrand. Sun . "Induction time of a polymorphic transformation". United States. doi:10.1039/c7ce00766c.
@article{osti_1469875,
title = {Induction time of a polymorphic transformation},
author = {Sun, Wenhao and Ceder, Gerbrand},
abstractNote = {We analyze the processes governing the lifetimes of transient metastable polymorphs, within the context of classical nucleation theory.},
doi = {10.1039/c7ce00766c},
journal = {CrystEngComm},
issn = {1466-8033},
number = 31,
volume = 19,
place = {United States},
year = {2017},
month = {1}
}

Works referenced in this record:

Prediction of absolute crystal-nucleation rate in hard-sphere colloids
journal, February 2001

  • Auer, Stefan; Frenkel, Daan
  • Nature, Vol. 409, Issue 6823
  • DOI: 10.1038/35059035

Prediction of solid-aqueous equilibria: Scheme to combine first-principles calculations of solids with experimental aqueous states
journal, June 2012


Theoretical Evidence for a Dense Fluid Precursor to Crystallization
journal, February 2006


Conformational Polymorphism
journal, December 2013

  • Cruz-Cabeza, Aurora J.; Bernstein, Joel
  • Chemical Reviews, Vol. 114, Issue 4
  • DOI: 10.1021/cr400249d

On some probabilistic aspects of the nucleation process
journal, May 1972


Nucleation of NaCl from Aqueous Solution: Critical Sizes, Ion-Attachment Kinetics, and Rates
journal, October 2015

  • Zimmermann, Nils E. R.; Vorselaars, Bart; Quigley, David
  • Journal of the American Chemical Society, Vol. 137, Issue 41
  • DOI: 10.1021/jacs.5b08098

Nucleation of Crystals from Solution: Classical and Two-Step Models
journal, May 2009

  • Erdemir, Deniz; Lee, Alfred Y.; Myerson, Allan S.
  • Accounts of Chemical Research, Vol. 42, Issue 5
  • DOI: 10.1021/ar800217x

Conformational Energy Landscape of the Ritonavir Molecule
journal, May 2016

  • Chakraborty, Debayan; Sengupta, Neelanjana; Wales, David J.
  • The Journal of Physical Chemistry B, Vol. 120, Issue 19
  • DOI: 10.1021/acs.jpcb.5b12272

Crystallization by particle attachment in synthetic, biogenic, and geologic environments
journal, July 2015

  • De Yoreo, J. J.; Gilbert, P. U. P. A.; Sommerdijk, N. A. J. M.
  • Science, Vol. 349, Issue 6247
  • DOI: 10.1126/science.aaa6760

Confinement stabilises single crystal vaterite rods
journal, January 2014

  • Schenk, Anna S.; Albarracin, Eduardo J.; Kim, Yi-Yeoun
  • Chem. Commun., Vol. 50, Issue 36
  • DOI: 10.1039/C4CC01093K

In situ TEM imaging of CaCO3 nucleation reveals coexistence of direct and indirect pathways
journal, September 2014


Microscopic Evidence for Liquid-Liquid Separation in Supersaturated CaCO3 Solutions
journal, August 2013


Prenucleation clusters and non-classical nucleation
journal, December 2011


The effect of specific background electrolytes on water structure and solute hydration: Consequences for crystal dissolution and growth
journal, September 2008


Polysaccharide chemistry regulates kinetics of calcite nucleation through competition of interfacial energies
journal, May 2013

  • Giuffre, Anthony J.; Hamm, Laura M.; Han, Nizhou
  • Proceedings of the National Academy of Sciences, Vol. 110, Issue 23
  • DOI: 10.1073/pnas.1222162110

Ab initio determination of the crystalline benzene lattice energy to sub-kilojoule/mole accuracy
journal, August 2014


Measuring induction times and crystal nucleation rates
journal, January 2015

  • Brandel, Clément; ter Horst, Joop H.
  • Faraday Discussions, Vol. 179
  • DOI: 10.1039/C4FD00230J

Energetics of MnO 2 polymorphs in density functional theory
journal, January 2016


Are Nucleation Kinetics of Protein Crystals Similar to Those of Liquid Droplets?
journal, January 2000

  • Galkin, Oleg; Vekilov, Peter G.
  • Journal of the American Chemical Society, Vol. 122, Issue 1
  • DOI: 10.1021/ja9930869

Kinetics of Phase Change. I General Theory
journal, December 1939

  • Avrami, Melvin
  • The Journal of Chemical Physics, Vol. 7, Issue 12, p. 1103-1112
  • DOI: 10.1063/1.1750380

The Role and Implications of Bassanite as a Stable Precursor Phase to Gypsum Precipitation
journal, April 2012

  • Van Driessche, A. E. S.; Benning, L. G.; Rodriguez-Blanco, J. D.
  • Science, Vol. 336, Issue 6077
  • DOI: 10.1126/science.1215648

Nonclassical nucleation and growth of inorganic nanoparticles
journal, June 2016


Computational Approach for Epitaxial Polymorph Stabilization through Substrate Selection
journal, May 2016

  • Ding, Hong; Dwaraknath, Shyam S.; Garten, Lauren
  • ACS Applied Materials & Interfaces, Vol. 8, Issue 20
  • DOI: 10.1021/acsami.6b01630

Dense Liquid Precursor for the Nucleation of Ordered Solid Phases from Solution
journal, July 2004


Solvent and additive interactions as determinants in the nucleation pathway: general discussion
journal, January 2015

  • Sun, Changquan Calvin; Sun, Wenhao; Price, Sarah
  • Faraday Discussions, Vol. 179
  • DOI: 10.1039/C5FD90038G

Are the Crystal Structures of Enantiopure and Racemic Mandelic Acids Determined by Kinetics or Thermodynamics?
journal, August 2015

  • Hylton, Rebecca K.; Tizzard, Graham J.; Threlfall, Terence L.
  • Journal of the American Chemical Society, Vol. 137, Issue 34
  • DOI: 10.1021/jacs.5b05938

A design equation for low dosage additives that accelerate nucleation
journal, January 2015

  • Poon, Geoffrey G.; Seritan, Stefan; Peters, Baron
  • Faraday Discussions, Vol. 179
  • DOI: 10.1039/C4FD00226A

Disappearing Polymorphs Revisited
journal, June 2015

  • Bučar, Dejan-Krešimir; Lancaster, Robert W.; Bernstein, Joel
  • Angewandte Chemie International Edition, Vol. 54, Issue 24
  • DOI: 10.1002/anie.201410356

Ion-association complexes unite classical and non-classical theories for the biomimetic nucleation of calcium phosphate
journal, February 2013

  • Habraken, Wouter J. E. M.; Tao, Jinhui; Brylka, Laura J.
  • Nature Communications, Vol. 4, Issue 1
  • DOI: 10.1038/ncomms2490

Localizing and inducing primary nucleation
journal, January 2015

  • Hammadi, Zoubida; Grossier, Romain; Zhang, Shuheng
  • Faraday Discussions, Vol. 179
  • DOI: 10.1039/C4FD00274A

The Kinetics of Nucleation and Growth of Sickle Cell Hemoglobin Fibers
journal, January 2007

  • Galkin, Oleg; Nagel, Ronald L.; Vekilov, Peter G.
  • Journal of Molecular Biology, Vol. 365, Issue 2
  • DOI: 10.1016/j.jmb.2006.10.001

Efficient creation and convergence of surface slabs
journal, November 2013


Urea homogeneous nucleation mechanism is solvent dependent
journal, January 2015

  • Salvalaglio, Matteo; Mazzotti, Marco; Parrinello, Michele
  • Faraday Discussions, Vol. 179
  • DOI: 10.1039/C4FD00235K

Energetic clues to pathways to biomineralization: Precursors, clusters, and nanoparticles
journal, August 2004


Transient Phase-Induced Nucleation
journal, January 1999


Why don't we find more polymorphs?
journal, July 2013

  • Price, Sarah L.
  • Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, Vol. 69, Issue 4
  • DOI: 10.1107/S2052519213018861

Polymorph Screening: Comparing a Semi-Automated Approach with a High Throughput Method
journal, September 2009

  • Alvarez, Alejandro J.; Singh, Aniruddh; Myerson, Allan S.
  • Crystal Growth & Design, Vol. 9, Issue 9
  • DOI: 10.1021/cg900421v

Isotopic tracer evidence for the amorphous calcium carbonate to calcite transformation by dissolution–reprecipitation
journal, September 2015

  • Giuffre, Anthony J.; Gagnon, Alexander C.; De Yoreo, James J.
  • Geochimica et Cosmochimica Acta, Vol. 165
  • DOI: 10.1016/j.gca.2015.06.002

Kinetics of crystallization preceded by metastable-phase formation
journal, November 1998

  • Kashchiev, Dimo; Sato, Kiyotaka
  • The Journal of Chemical Physics, Vol. 109, Issue 19
  • DOI: 10.1063/1.477519

Induction time and metastability limit in new phase formation
journal, March 1991


Nucleation of metastable aragonite CaCO 3 in seawater
journal, March 2015

  • Sun, Wenhao; Jayaraman, Saivenkataraman; Chen, Wei
  • Proceedings of the National Academy of Sciences, Vol. 112, Issue 11
  • DOI: 10.1073/pnas.1423898112

Ostwald’s Rule of Stages and Its Role in CdSe Quantum Dot Crystallization
journal, October 2012

  • Washington, Aaron L.; Foley, Megan E.; Cheong, Soshan
  • Journal of the American Chemical Society, Vol. 134, Issue 41
  • DOI: 10.1021/ja302964e

The two-step mechanism of nucleation of crystals in solution
journal, January 2010


Stable Prenucleation Calcium Carbonate Clusters
journal, December 2008


The theory of Ostwald ripening
journal, January 1985

  • Voorhees, P. W.
  • Journal of Statistical Physics, Vol. 38, Issue 1-2
  • DOI: 10.1007/BF01017860

Mineral Replacement Reactions
journal, January 2009


Confinement Increases the Lifetimes of Hydroxyapatite Precursors
journal, October 2014

  • Wang, Yun-Wei; Christenson, Hugo K.; Meldrum, Fiona C.
  • Chemistry of Materials, Vol. 26, Issue 20
  • DOI: 10.1021/cm501770r

Amyloid fibrils are “alive”: spontaneous refolding from one polymorph to another
journal, January 2010

  • Kurouski, Dmitry; Lauro, William; Lednev, Igor K.
  • Chemical Communications, Vol. 46, Issue 24
  • DOI: 10.1039/b926758a

Nanoscale Effects on Thermodynamics and Phase Equilibria in Oxide Systems
journal, July 2011


Modeling Polymorphic Molecular Crystals with Electronic Structure Theory
journal, March 2016


Multiphase transformation and Ostwald’s rule of stages during crystallization of a metal phosphate
journal, November 2008

  • Chung, Sung-Yoon; Kim, Young-Min; Kim, Jin-Gyu
  • Nature Physics, Vol. 5, Issue 1
  • DOI: 10.1038/nphys1148

Mechanistic Insights into the Crystallization of Amorphous Calcium Carbonate (ACC)
journal, May 2012

  • Bots, Pieter; Benning, Liane G.; Rodriguez-Blanco, Juan-Diego
  • Crystal Growth & Design, Vol. 12, Issue 7
  • DOI: 10.1021/cg300676b

Low Ice Adhesion on Nano-Textured Superhydrophobic Surfaces under Supersaturated Conditions
journal, May 2016

  • Bengaluru Subramanyam, Srinivas; Kondrashov, Vitaliy; Rühe, Jürgen
  • ACS Applied Materials & Interfaces, Vol. 8, Issue 20
  • DOI: 10.1021/acsami.6b01133

Manipulating the Crystalline State of Pharmaceuticals by Nanoconfinement
journal, May 2007

  • Beiner, M.; Rengarajan, G.; Pankaj, S.
  • Nano Letters, Vol. 7, Issue 5, p. 1381-1385
  • DOI: 10.1021/nl0705081

Two-step nucleation mechanism in solid–solid phase transitions
journal, September 2014

  • Peng, Yi; Wang, Feng; Wang, Ziren
  • Nature Materials, Vol. 14, Issue 1
  • DOI: 10.1038/nmat4083