Anomalous temperature dependence of elastic limit in metallic glasses

Wang, Yifan; Liu, Jing; Jiang, Jian-Zhong; Cai, Wei

doi:10.1038/s41467-023-44048-7

Title: Anomalous temperature dependence of elastic limit in metallic glasses

Journal Article · Tue Jan 02 00:00:00 UTC 2024 · Nature Communications

DOI: https://doi.org/10.1038/s41467-023-44048-7 · OSTI ID:2274842

; Liu, Jing;

;

Abstract Understanding the atomistic mechanisms of inelastic deformation in metallic glasses (MGs) remains challenging due to their amorphous structure, where local carriers of plasticity cannot be easily defined. Using molecular dynamics (MD) simulations, we analyzed the onset of inelastic deformation in CuZr MGs, specifically the temperature dependence of the elastic limit, in terms of localized shear transformation (ST) events. We find that although the ST events initiate at lower strain with increasing temperature, the elastic limit increases with temperature in certain temperature ranges. We explain this anomalous behavior through the framework of an energy-strain landscape (ESL) constructed from high-throughput strain-dependent energy barrier calculations for the ST events identified in the MD simulations. The ESL reveals that the anomalous behavior is caused by the transition of ST events from irreversible to reversible with increasing temperature. An analytical formulation is developed to predict this transition and the temperature dependence of the elastic limit.

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Research Organization:: Stanford University, CA (United States)

Sponsoring Organization:: National Key Research and Development Program of China; National Natural Science Foundation of China; USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0010412

OSTI ID:: 2274842

Journal Information:: Nature Communications, Journal Name: Nature Communications Journal Issue: 1 Vol. 15; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United Kingdom

Language:: English

References (42)

A microscopic mechanism for steady state inhomogeneous flow in metallic glasses Spaepen, Frans Acta Metallurgica, Vol. 25, Issue 4 https://doi.org/10.1016/0001-6160(77)90232-2	journal	April 1977
Plastic deformation in metallic glasses Argon, A. S. Acta Metallurgica, Vol. 27, Issue 1 https://doi.org/10.1016/0001-6160(79)90055-5	journal	January 1979
Low temperature mechanical properties of metallic glasses connection with structure Bengus, V. Z.; Tabachnikova, E. D.; Duhaj, P. Materials Science and Engineering: A, Vol. 226-228 https://doi.org/10.1016/S0921-5093(97)80086-X	journal	June 1997
The case for bulk metallic glass Telford, Mark Materials Today, Vol. 7, Issue 3 https://doi.org/10.1016/S1369-7021(04)00124-5	journal	March 2004
Mechanical behavior of amorphous alloys Schuh, C.; Hufnagel, T.; Ramamurty, U. Acta Materialia, Vol. 55, Issue 12 https://doi.org/10.1016/j.actamat.2007.01.052	journal	July 2007
Mesoscale modeling of amorphous metals by shear transformation zone dynamics Homer, Eric R.; Schuh, Christopher A. Acta Materialia, Vol. 57, Issue 9 https://doi.org/10.1016/j.actamat.2009.02.035	journal	May 2009
Deformation of metallic glasses: Recent developments in theory, simulations, and experiments Hufnagel, Todd C.; Schuh, Christopher A.; Falk, Michael L. Acta Materialia, Vol. 109 https://doi.org/10.1016/j.actamat.2016.01.049	journal	May 2016
Micro-plasticity and recent insights from intermittent and small-scale plasticity Maaß, R.; Derlet, P. M. Acta Materialia, Vol. 143 https://doi.org/10.1016/j.actamat.2017.06.023	journal	January 2018
LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales Thompson, Aidan P.; Aktulga, H. Metin; Berger, Richard Computer Physics Communications, Vol. 271 https://doi.org/10.1016/j.cpc.2021.108171	journal	February 2022
The β relaxation in metallic glasses: an overview Yu, Hai-Bin; Wang, Wei-Hua; Samwer, Konrad Materials Today, Vol. 16, Issue 5 https://doi.org/10.1016/j.mattod.2013.05.002	journal	May 2013
Metallic glasses as structural materials Ashby, M.; Greer, A. Scripta Materialia, Vol. 54, Issue 3 https://doi.org/10.1016/j.scriptamat.2005.09.051	journal	February 2006
Distinguishing Vibrational and Structural Equilibration Contributions to Thermal Expansion Stillinger, Frank H.; Debenedetti, Pablo G. The Journal of Physical Chemistry B, Vol. 103, Issue 20 https://doi.org/10.1021/jp983831o	journal	May 1999
Approaching the ideal elastic limit of metallic glasses Tian, Lin; Cheng, Yong-Qiang; Shan, Zhi-Wei Nature Communications, Vol. 3, Issue 1 https://doi.org/10.1038/ncomms1619	journal	January 2012
How thermally activated deformation starts in metallic glass Fan, Yue; Iwashita, Takuya; Egami, Takeshi Nature Communications, Vol. 5, Issue 1 https://doi.org/10.1038/ncomms6083	journal	September 2014
Atomistic free-volume zones and inelastic deformation of metallic glasses Ye, J. C.; Lu, J.; Liu, C. T. Nature Materials, Vol. 9, Issue 8 https://doi.org/10.1038/nmat2802	journal	August 2010
A structural approach to relaxation in glassy liquids Schoenholz, S. S.; Cubuk, E. D.; Sussman, D. M. Nature Physics, Vol. 12, Issue 5 https://doi.org/10.1038/nphys3644	journal	February 2016
Effects of sub- T _g annealing on Cu _64.5 Zr _35.5 glasses: A molecular dynamics study Zhang, Feng; Mendelev, M. I.; Zhang, Yue Applied Physics Letters, Vol. 104, Issue 6 https://doi.org/10.1063/1.4864652	journal	February 2014
Soft spots and their structural signature in a metallic glass Ding, Jun; Patinet, Sylvain; Falk, Michael L. Proceedings of the National Academy of Sciences, Vol. 111, Issue 39 https://doi.org/10.1073/pnas.1412095111	journal	September 2014
Potential energy landscape activations governing plastic flows in glass rheology Cao, Penghui; Short, Michael P.; Yip, Sidney Proceedings of the National Academy of Sciences, Vol. 116, Issue 38 https://doi.org/10.1073/pnas.1907317116	journal	September 2019
Shear transformations in metallic glasses without excessive and predefinable defects Zhang, Zhen; Ding, Jun; Ma, Evan Proceedings of the National Academy of Sciences, Vol. 119, Issue 48 https://doi.org/10.1073/pnas.2213941119	journal	November 2022
Analysis of semi-empirical interatomic potentials appropriate for simulation of crystalline and liquid Al and Cu Mendelev, M. I.; Kramer, M. J.; Becker, C. A. Philosophical Magazine, Vol. 88, Issue 12 https://doi.org/10.1080/14786430802206482	journal	April 2008
Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool Stukowski, Alexander Modelling and Simulation in Materials Science and Engineering, Vol. 18, Issue 1 https://doi.org/10.1088/0965-0393/18/1/015012	journal	December 2009
Relating activation of shear transformation zones to β relaxations in metallic glasses Yu, H. B.; Wang, W. H.; Bai, H. Y. Physical Review B, Vol. 81, Issue 22 https://doi.org/10.1103/PhysRevB.81.220201	journal	June 2010
Cooling rates dependence of medium-range order development in C u 64 . 5 Z r 35 . 5 metallic glass Zhang, Y.; Zhang, F.; Wang, C. Z. Physical Review B, Vol. 91, Issue 6 https://doi.org/10.1103/PhysRevB.91.064105	journal	February 2015
Diffusion in a Cu-Zr metallic glass studied by microsecond-scale molecular dynamics simulations Zhang, Y.; Wang, C. Z.; Mendelev, M. I. Physical Review B, Vol. 91, Issue 18 https://doi.org/10.1103/PhysRevB.91.180201	journal	May 2015
Strain-dependent activation energy of shear transformation in metallic glasses Xu, Bin; Falk, Michael; Li, Jinfu Physical Review B, Vol. 95, Issue 14 https://doi.org/10.1103/PhysRevB.95.144201	journal	April 2017
Dynamics of viscoplastic deformation in amorphous solids Falk, M. L.; Langer, J. S. Physical Review E, Vol. 57, Issue 6 https://doi.org/10.1103/PhysRevE.57.7192	journal	June 1998
Shear transformation distribution and activation in glasses at the atomic scale Boioli, F.; Albaret, T.; Rodney, D. Physical Review E, Vol. 95, Issue 3 https://doi.org/10.1103/PhysRevE.95.033005	journal	March 2017
Temperature and Strain-Rate Dependence of Surface Dislocation Nucleation Zhu, Ting; Li, Ju; Samanta, Amit Physical Review Letters, Vol. 100, Issue 2 https://doi.org/10.1103/PhysRevLett.100.025502	journal	January 2008
Distribution of Thermally Activated Plastic Events in a Flowing Glass Rodney, David; Schuh, Christopher Physical Review Letters, Vol. 102, Issue 23 https://doi.org/10.1103/PhysRevLett.102.235503	journal	June 2009
Information-Theoretic Measurements of Coupling between Structure and Dynamics in Glass Formers Jack, Robert L.; Dunleavy, Andrew J.; Royall, C. Patrick Physical Review Letters, Vol. 113, Issue 9 https://doi.org/10.1103/PhysRevLett.113.095703	journal	August 2014
Connecting Local Yield Stresses with Plastic Activity in Amorphous Solids Patinet, Sylvain; Vandembroucq, Damien; Falk, Michael L. Physical Review Letters, Vol. 117, Issue 4 https://doi.org/10.1103/PhysRevLett.117.045501	journal	July 2016
Predicting Shear Transformation Events in Metallic Glasses Xu, Bin; Falk, Michael L.; Li, J. F. Physical Review Letters, Vol. 120, Issue 12 https://doi.org/10.1103/PhysRevLett.120.125503	journal	March 2018
Universal Breakdown of Elasticity at the Onset of Material Failure Maloney, Craig; Lemaître, Anaël Physical Review Letters, Vol. 93, Issue 19 https://doi.org/10.1103/PhysRevLett.93.195501	journal	November 2004
Energy Landscape Picture of Overaging and Rejuvenation in a Sheared Glass Lacks, Daniel J.; Osborne, Mark J. Physical Review Letters, Vol. 93, Issue 25 https://doi.org/10.1103/PhysRevLett.93.255501	journal	December 2004
A Universal Criterion for Plastic Yielding of Metallic Glasses with a ( T / T g ) 2 / 3 Temperature Dependence Johnson, W. L.; Samwer, K. Physical Review Letters, Vol. 95, Issue 19 https://doi.org/10.1103/PhysRevLett.95.195501	journal	November 2005
Activation Energy of Shear Transformation Zones: A Key for Understanding Rheology of Glasses and Liquids Mayr, S. G. Physical Review Letters, Vol. 97, Issue 19 https://doi.org/10.1103/PhysRevLett.97.195501	journal	November 2006
Anelastic to Plastic Transition in Metallic Glass-Forming Liquids Harmon, John S.; Demetriou, Marios D.; Johnson, William L. Physical Review Letters, Vol. 99, Issue 13 https://doi.org/10.1103/PhysRevLett.99.135502	journal	September 2007
Diffusion in metallic glasses and supercooled melts Faupel, Franz; Frank, Werner; Macht, Michael-Peter Reviews of Modern Physics, Vol. 75, Issue 1 https://doi.org/10.1103/RevModPhys.75.237	journal	February 2003
Shear Transformation Zones: State determined or protocol dependent? Gendelman, Oleg; Jaiswal, Prabhat K.; Procaccia, Itamar EPL (Europhysics Letters), Vol. 109, Issue 1 https://doi.org/10.1209/0295-5075/109/16002	journal	January 2015
Theory of Shear Banding in Metallic Glasses and Molecular Dynamics Calculations Shimizu, Futoshi; Ogata, Shigenobu; Li, Ju MATERIALS TRANSACTIONS, Vol. 48, Issue 11 https://doi.org/10.2320/matertrans.MJ200769	journal	January 2007
yfwang09/MG_ElastLim: Metallic glass elastic limit data sets Wang, Yifan; Cai, Wei https://doi.org/10.5281/zenodo.10184745	software	November 2023

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