Literature DB >> 19416913

Grain boundaries exhibit the dynamics of glass-forming liquids.

Hao Zhang1, David J Srolovitz, Jack F Douglas, James A Warren.   

Abstract

Polycrystalline materials are composites of crystalline particles or "grains" separated by thin "amorphous" grain boundaries (GBs). Although GBs have been exhaustively investigated at low temperatures, at which these regions are relatively ordered, much less is known about them at higher temperatures, where they exhibit significant mobility and structural disorder and characterization methods are limited. The time and spatial scales accessible to molecular dynamics (MD) simulation are appropriate for investigating the dynamical and structural properties of GBs at elevated temperatures, and we exploit MD to explore basic aspects of GB dynamics as a function of temperature. It has long been hypothesized that GBs have features in common with glass-forming liquids based on the processing characteristics of polycrystalline materials. We find remarkable support for this suggestion, as evidenced by string-like collective atomic motion and transient caging of atomic motion, and a non-Arrhenius GB mobility describing the average rate of large-scale GB displacement.

Entities:  

Year:  2009        PMID: 19416913      PMCID: PMC2683136          DOI: 10.1073/pnas.0900227106

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


  15 in total

1.  Three-dimensional direct imaging of structural relaxation near the colloidal glass transition

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Journal:  Science       Date:  2000-01-28       Impact factor: 47.728

2.  Thermodynamic Criterion for the Stability of Amorphous Intergranular Films in Covalent Materials.

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Journal:  Phys Rev Lett       Date:  1996-09-30       Impact factor: 9.161

3.  Spatial correlations of mobility and immobility in a glass-forming Lennard-Jones liquid.

Authors:  C Donati; S C Glotzer; P H Poole; W Kob; S J Plimpton
Journal:  Phys Rev E Stat Phys Plasmas Fluids Relat Interdiscip Topics       Date:  1999-09

4.  Experimental observations of non-Gaussian behavior and stringlike cooperative dynamics in concentrated quasi-two-dimensional colloidal liquids.

Authors:  A H Marcus; J Schofield; S A Rice
Journal:  Phys Rev E Stat Phys Plasmas Fluids Relat Interdiscip Topics       Date:  1999-11

5.  Elastic deformation of polycrystals.

Authors:  Rajeev Ahluwalia; Turab Lookman; Avadh Saxena
Journal:  Phys Rev Lett       Date:  2003-07-28       Impact factor: 9.161

6.  Scaling behavior in the beta -relaxation regime of a supercooled Lennard-Jones mixture.

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Journal:  Phys Rev Lett       Date:  1994-09-05       Impact factor: 9.161

7.  Influence of confinement on the fragility of antiplasticized and pure polymer films.

Authors:  Robert A Riggleman; Kenji Yoshimoto; Jack F Douglas; Juan J de Pablo
Journal:  Phys Rev Lett       Date:  2006-07-27       Impact factor: 9.161

8.  Characterization of the potential energy landscape of an antiplasticized polymer.

Authors:  Robert A Riggleman; Jack F Douglas; Juan J de Pablo
Journal:  Phys Rev E Stat Nonlin Soft Matter Phys       Date:  2007-07-06

9.  Tuning polymer melt fragility with antiplasticizer additives.

Authors:  Robert A Riggleman; Jack F Douglas; Juan J de Pablo
Journal:  J Chem Phys       Date:  2007-06-21       Impact factor: 3.488

10.  X-ray diffraction studies of the structure of nanometer-sized crystalline materials.

Authors: 
Journal:  Phys Rev B Condens Matter       Date:  1987-06-15
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  23 in total

1.  Poisson's ratio and modern materials.

Authors:  G N Greaves; A L Greer; R S Lakes; T Rouxel
Journal:  Nat Mater       Date:  2011-10-24       Impact factor: 43.841

2.  Comparative surface dynamics of amorphous and semicrystalline polymer films.

Authors:  James S Becker; Ryan D Brown; Daniel R Killelea; Hanqiu Yuan; S J Sibener
Journal:  Proc Natl Acad Sci U S A       Date:  2010-08-16       Impact factor: 11.205

3.  ESR evidence for 2 coexisting liquid phases in deeply supercooled bulk water.

Authors:  D Banerjee; S N Bhat; S V Bhat; D Leporini
Journal:  Proc Natl Acad Sci U S A       Date:  2009-06-25       Impact factor: 11.205

4.  Influence of string-like cooperative atomic motion on surface diffusion in the (110) interfacial region of crystalline Ni.

Authors:  Hao Zhang; Ying Yang; Jack F Douglas
Journal:  J Chem Phys       Date:  2015-02-28       Impact factor: 3.488

5.  Quantitative relations between cooperative motion, emergent elasticity, and free volume in model glass-forming polymer materials.

Authors:  Beatriz A Pazmiño Betancourt; Paul Z Hanakata; Francis W Starr; Jack F Douglas
Journal:  Proc Natl Acad Sci U S A       Date:  2015-02-23       Impact factor: 11.205

6.  Machine learning determination of atomic dynamics at grain boundaries.

Authors:  Tristan A Sharp; Spencer L Thomas; Ekin D Cubuk; Samuel S Schoenholz; David J Srolovitz; Andrea J Liu
Journal:  Proc Natl Acad Sci U S A       Date:  2018-10-09       Impact factor: 11.205

7.  String-like cooperative motion in homogeneous melting.

Authors:  Hao Zhang; Mohammad Khalkhali; Qingxia Liu; Jack F Douglas
Journal:  J Chem Phys       Date:  2013-03-28       Impact factor: 3.488

8.  String model for the dynamics of glass-forming liquids.

Authors:  Beatriz A Pazmiño Betancourt; Jack F Douglas; Francis W Starr
Journal:  J Chem Phys       Date:  2014-05-28       Impact factor: 3.488

9.  Confined glassy dynamics at grain boundaries in colloidal crystals.

Authors:  K Hima Nagamanasa; Shreyas Gokhale; Rajesh Ganapathy; A K Sood
Journal:  Proc Natl Acad Sci U S A       Date:  2011-06-24       Impact factor: 11.205

10.  Glassy Interfacial Dynamics of Ni Nanoparticles: Part II Discrete Breathers as an Explanation of Two-Level Energy Fluctuations.

Authors:  Hao Zhang; Jack F Douglas
Journal:  Soft Matter       Date:  2013-01-01       Impact factor: 3.679

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