Literature DB >> 32015110

The displacement field associated with the freezing of a melt and its role in determining crystal growth kinetics.

Gang Sun1, Alexander Hawken1, Peter Harrowell2.   

Abstract

The atomic displacements associated with the freezing of metals and salts are calculated by treating crystal growth as an assignment problem through the use of an optimal transport algorithm. Converting these displacements into timescales based on the dynamics of the bulk liquid, we show that we can predict the activation energy for crystal growth rates, including activation energies significantly smaller than those for atomic diffusion in the liquid. The exception to this success, pure metals that freeze into face-centered cubic crystals with little to no activation energy, are discussed. The atomic displacements generated by the assignment algorithm allows us to quantify the key roles of crystal structure and liquid caging length in determining the temperature dependence of crystal growth kinetics.

Keywords:  crystal growth kinetics; freezing transitions; liquid structure

Year:  2020        PMID: 32015110      PMCID: PMC7035514          DOI: 10.1073/pnas.1915806117

Source DB:  PubMed          Journal:  Proc Natl Acad Sci U S A        ISSN: 0027-8424            Impact factor:   11.205


  7 in total

1.  Transferable pair potentials for CdS and ZnS crystals.

Authors:  Michael Grünwald; Alexey Zayak; Jeffrey B Neaton; Phillip L Geissler; Eran Rabani
Journal:  J Chem Phys       Date:  2012-06-21       Impact factor: 3.488

2.  Mechanisms of heterogeneous crystal growth in atomic systems: insights from computer simulations.

Authors:  M S Gulam Razul; J G Hendry; P G Kusalik
Journal:  J Chem Phys       Date:  2005-11-22       Impact factor: 3.488

3.  Crystal growth kinetics exhibit a fragility-dependent decoupling from viscosity.

Authors:  M D Ediger; Peter Harrowell; Lian Yu
Journal:  J Chem Phys       Date:  2008-01-21       Impact factor: 3.488

4.  Embedded-atom-method functions for the fcc metals Cu, Ag, Au, Ni, Pd, Pt, and their alloys.

Authors: 
Journal:  Phys Rev B Condens Matter       Date:  1986-06-15

5.  Testing mode-coupling theory for a supercooled binary Lennard-Jones mixture I: The van Hove correlation function.

Authors: 
Journal:  Phys Rev E Stat Phys Plasmas Fluids Relat Interdiscip Topics       Date:  1995-05

6.  Observing crystal nucleation in four dimensions using atomic electron tomography.

Authors:  Jihan Zhou; Yongsoo Yang; Yao Yang; Dennis S Kim; Andrew Yuan; Xuezeng Tian; Colin Ophus; Fan Sun; Andreas K Schmid; Michael Nathanson; Hendrik Heinz; Qi An; Hao Zeng; Peter Ercius; Jianwei Miao
Journal:  Nature       Date:  2019-06-26       Impact factor: 49.962

7.  The mechanism of the ultrafast crystal growth of pure metals from their melts.

Authors:  Gang Sun; Jenny Xu; Peter Harrowell
Journal:  Nat Mater       Date:  2018-09-17       Impact factor: 43.841

  7 in total
  1 in total

1.  Revealing the role of liquid preordering in crystallisation of supercooled liquids.

Authors:  Yuan-Chao Hu; Hajime Tanaka
Journal:  Nat Commun       Date:  2022-08-04       Impact factor: 17.694

  1 in total

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