Literature DB >> 26504208

Interatomic repulsion softness directly controls the fragility of supercooled metallic melts.

Johannes Krausser1, Konrad H Samwer2, Alessio Zaccone3.   

Abstract

We present an analytic scheme to connect the fragility and viscoelasticity of metallic glasses to the effective ion-ion interaction in the metal. This is achieved by an approximation of the short-range repulsive part of the interaction, combined with nonaffine lattice dynamics to obtain analytical expressions for the shear modulus, viscosity, and fragility in terms of the ion-ion interaction. By fitting the theoretical model to experimental data, we are able to link the steepness of the interionic repulsion to the Thomas-Fermi screened Coulomb repulsion and to the Born-Mayer valence electron overlap repulsion for various alloys. The result is a simple closed-form expression for the fragility of the supercooled liquid metal in terms of few crucial atomic-scale interaction and anharmonicity parameters. In particular, a linear relationship is found between the fragility and the energy scales of both the screened Coulomb and the electron overlap repulsions. This relationship opens up opportunities to fabricate alloys with tailored thermoelasticity and fragility by rationally tuning the chemical composition of the alloy according to general principles. The analysis presented here brings a new way of looking at the link between the outer shell electronic structure of metals and metalloids and the viscoelasticity and fragility thereof.

Entities:  

Keywords:  fragility of liquids; glass transition; liquid metals; metallic glasses; supercooled liquids

Year:  2015        PMID: 26504208      PMCID: PMC4653154          DOI: 10.1073/pnas.1503741112

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


  9 in total

1.  Does the interaction potential determine both the fragility of a liquid and the vibrational properties of its glassy state?

Authors:  Patrice Bordat; Frédéric Affouard; Marc Descamps; K L Ngai
Journal:  Phys Rev Lett       Date:  2004-09-02       Impact factor: 9.161

2.  Dependence of the fragility of a glass former on the softness of interparticle interactions.

Authors:  Shiladitya Sengupta; Filipe Vasconcelos; Frédéric Affouard; Srikanth Sastry
Journal:  J Chem Phys       Date:  2011-11-21       Impact factor: 3.488

3.  A universal criterion for plastic yielding of metallic glasses with a (T/Tg) 2/3 temperature dependence.

Authors:  W L Johnson; K Samwer
Journal:  Phys Rev Lett       Date:  2005-11-03       Impact factor: 9.161

4.  Soft colloids make strong glasses.

Authors:  Johan Mattsson; Hans M Wyss; Alberto Fernandez-Nieves; Kunimasa Miyazaki; Zhibing Hu; David R Reichman; David A Weitz
Journal:  Nature       Date:  2009-11-05       Impact factor: 49.962

5.  Local elastic expansion model for viscous-flow activation energies of glass-forming molecular liquids.

Authors: 
Journal:  Phys Rev B Condens Matter       Date:  1996-02-01

6.  Disorder-assisted melting and the glass transition in amorphous solids.

Authors:  Alessio Zaccone; Eugene M Terentjev
Journal:  Phys Rev Lett       Date:  2013-04-26       Impact factor: 9.161

7.  How thermally activated deformation starts in metallic glass.

Authors:  Yue Fan; Takuya Iwashita; Takeshi Egami
Journal:  Nat Commun       Date:  2014-09-24       Impact factor: 14.919

8.  Compositional landscape for glass formation in metal alloys.

Authors:  Jong Hyun Na; Marios D Demetriou; Michael Floyd; Andrew Hoff; Glenn R Garrett; William L Johnson
Journal:  Proc Natl Acad Sci U S A       Date:  2014-06-09       Impact factor: 11.205

9.  Critical fictive temperature for plasticity in metallic glasses.

Authors:  Golden Kumar; Pascal Neibecker; Yan Hui Liu; Jan Schroers
Journal:  Nat Commun       Date:  2013       Impact factor: 14.919

  9 in total
  11 in total

1.  Strength of the repulsive part of the interatomic potential determines fragility in metallic liquids.

Authors:  Christopher E Pueblo; Minhua Sun; K F Kelton
Journal:  Nat Mater       Date:  2017-07-10       Impact factor: 43.841

2.  Understanding, predicting, and tuning the fragility of vitrimeric polymers.

Authors:  Simone Ciarella; Rutger A Biezemans; Liesbeth M C Janssen
Journal:  Proc Natl Acad Sci U S A       Date:  2019-11-25       Impact factor: 11.205

3.  Influence of the interatomic repulsive hardness on the microstructure and dynamics of CuZr metallic glasses.

Authors:  Xianying Cao; Minhua Sun
Journal:  J Mol Model       Date:  2022-08-20       Impact factor: 2.172

4.  Compositional dependence of the fragility in metallic glass forming liquids.

Authors:  Sebastian A Kube; Sungwoo Sohn; Rodrigo Ojeda-Mota; Theo Evers; William Polsky; Naijia Liu; Kevin Ryan; Sean Rinehart; Yong Sun; Jan Schroers
Journal:  Nat Commun       Date:  2022-06-28       Impact factor: 17.694

5.  Fragility and Strength in Nanoparticle Glasses.

Authors:  Pieter van der Scheer; Ties van de Laar; Jasper van der Gucht; Dimitris Vlassopoulos; Joris Sprakel
Journal:  ACS Nano       Date:  2017-07-03       Impact factor: 15.881

6.  Apparent strength versus universality in glasses of soft compressible colloids.

Authors:  Ruben Higler; Joris Sprakel
Journal:  Sci Rep       Date:  2018-11-14       Impact factor: 4.379

7.  On the physical mechanisms underlying single molecule dynamics in simple liquids.

Authors:  Jerry Dahlberg; Peter T Tkacik; Russell G Keanini
Journal:  Sci Rep       Date:  2021-01-28       Impact factor: 4.379

8.  Universal structural parameter to quantitatively predict metallic glass properties.

Authors:  Jun Ding; Yong-Qiang Cheng; Howard Sheng; Mark Asta; Robert O Ritchie; Evan Ma
Journal:  Nat Commun       Date:  2016-12-12       Impact factor: 14.919

9.  The role of local-geometrical-orders on the growth of dynamic-length-scales in glass-forming liquids.

Authors:  Kaikin Wong; Rithin P Krishnan; Changjiu Chen; Qing Du; Dehong Yu; Zhaoping Lu; K Samwer; Suresh M Chathoth
Journal:  Sci Rep       Date:  2018-01-31       Impact factor: 4.379

10.  Structural rearrangements governing Johari-Goldstein relaxations in metallic glasses.

Authors:  Hai-Bin Yu; Ranko Richert; Konrad Samwer
Journal:  Sci Adv       Date:  2017-11-17       Impact factor: 14.136

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