Microstructure evolution during near-Tg annealing and its effect on shear banding in model alloys

Yang, Meng-Hao; Cai, Bei; Sun, Yang; Zhang, Feng; Wang, Yi-Fan; Wang, Cai-Zhuang; Ho, Kai-Ming

doi:10.1103/PhysRevMaterials.3.125602

Title: Microstructure evolution during near- $T_{g}$ annealing and its effect on shear banding in model alloys

Journal Article · Mon Dec 09 00:00:00 EST 2019 · Physical Review Materials

DOI:https://doi.org/10.1103/PhysRevMaterials.3.125602· OSTI ID:1599169

^[1]; Cai, Bei ^[2];

^[1]; Zhang, Feng ^[1]; Wang, Yi-Fan ^[3]; Wang, Cai-Zhuang ^[1]; Ho, Kai-Ming ^[1]

Ames Lab., Ames, IA (United States); Iowa State Univ., Ames, IA (United States)
Tsinghua Univ., Beijing (China)
China State Shipbuilding Corporation Limited, Beijing (China). Systems Engineering Research Inst.

By performing extensive molecular dynamics simulations, we investigate herein the deformation behavior in $A l_{90} S m_{10}$ and $C u_{64.5} Z r_{35.5}$ alloys after elongated isothermal annealing in the vicinity of the glass-transition temperature ( $T_{g}$ ). Different microstructural response to the annealing process was observed: $A l_{90} S m_{10}$ maintains the glassy structure with improved energetic stability, enhanced short-range order (SRO), and a more pronounced spatial network that extends beyond the first atomic shell, while $C u_{64.5} Z r_{35.5}$ forms nanocrystalline Laves $C u_{2} Zr$ phases. Shear banding occurs in both annealed systems under shear loading. For $A l_{90} S m_{10}$ , the spatial network formed by the local clusters characterizing the SRO of the system is significantly weakened but remains appreciable in the shear band. In contrast, the crystalline ordering in the $C u_{64.5} Z r_{35.5}$ is completely destroyed during shear banding. Consequently, while displaying higher yield strength, the annealed $C u_{64.5} Z r_{35.5}$ sample appears to be less ductile. By carefully examining the effect of microstructures on the structural ordering in the shear band and the consequent mechanical response, our work contributes to a better understanding of the deformation mechanism of amorphous alloys as compared with that in crystalline materials.

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Research Organization:: Ames Lab., Ames, IA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division; USDOE Laboratory Directed Research and Development (LDRD) Program

Grant/Contract Number:: AC02-07CH11358

OSTI ID:: 1599169

Report Number(s):: IS-J-10103; PRMHAR; TRN: US2103435

Journal Information:: Physical Review Materials, Vol. 3, Issue 12; ISSN 2475-9953

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 2 works

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References (60)

‘Crystal Genes’ in Metallic Liquids and Glasses Sun, Yang; Zhang, Feng; Ye, Zhuo Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep23734	journal	March 2016
Cu-Zr (Copper-Zirconium) Arias, D.; Abriata, J. P. Journal of Phase Equilibria, Vol. 11, Issue 5 https://doi.org/10.1007/BF02898260	journal	October 1990
On the role of Sm in solidification of Al-Sm metallic glasses Bokas, G. B.; Zhao, L.; Perepezko, J. H. Scripta Materialia, Vol. 124 https://doi.org/10.1016/j.scriptamat.2016.06.045	journal	November 2016
Focus: Nucleation kinetics of shear bands in metallic glass Wang, J. Q.; Perepezko, J. H. The Journal of Chemical Physics, Vol. 145, Issue 21 https://doi.org/10.1063/1.4966662	journal	December 2016
Cooperative Shear Model for the Rheology of Glass-Forming Metallic Liquids Demetriou, Marios D.; Harmon, John S.; Tao, Min Physical Review Letters, Vol. 97, Issue 6 https://doi.org/10.1103/PhysRevLett.97.065502	journal	August 2006
Full icosahedra dominate local order in Cu64Zr34 metallic glass and supercooled liquid Ding, Jun; Cheng, Yong-Qiang; Ma, Evan Acta Materialia, Vol. 69 https://doi.org/10.1016/j.actamat.2014.02.005	journal	May 2014
Effect of annealing on nanoindentation slips in a bulk metallic glass Coleman, J. Patrick; Meng, Fanqiang; Tsuchiya, Koichi Physical Review B, Vol. 96, Issue 13 https://doi.org/10.1103/PhysRevB.96.134117	journal	October 2017
Coupling grain boundary motion to shear deformation Cahn, John W.; Mishin, Yuri; Suzuki, Akira Acta Materialia, Vol. 54, Issue 19 https://doi.org/10.1016/j.actamat.2006.08.004	journal	November 2006
Development of suitable interatomic potentials for simulation of liquid and amorphous Cu–Zr alloys Mendelev, M. I.; Kramer, M. J.; Ott, R. T. Philosophical Magazine, Vol. 89, Issue 11 https://doi.org/10.1080/14786430902832773	journal	April 2009
Structural ordering at solid-liquid interfaces in Al-Sm system: A molecular-dynamics study Sun, Yang; Zhang, Feng; Ye, Zhuo Materials Letters, Vol. 186 https://doi.org/10.1016/j.matlet.2016.07.046	journal	January 2017
Fast Parallel Algorithms for Short-Range Molecular Dynamics Plimpton, Steve Journal of Computational Physics, Vol. 117, Issue 1 https://doi.org/10.1006/jcph.1995.1039	journal	March 1995
Rapid solidification and metallic glass formation – Experimental and theoretical limits Kramer, M. J.; Mecco, H.; Dennis, K. W. Journal of Non-Crystalline Solids, Vol. 353, Issue 32-40 https://doi.org/10.1016/j.jnoncrysol.2007.05.172	journal	October 2007
Proposed correlation of structure network inherited from producing techniques and deformation behavior for Ni-Ti-Mo metallic glasses via atomistic simulations Yang, M. H.; Li, J. H.; Liu, B. X. Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep29722	journal	July 2016
Atomic packing and short-to-medium-range order in metallic glasses Sheng, H. W.; Luo, W. K.; Alamgir, F. M. Nature, Vol. 439, Issue 7075 https://doi.org/10.1038/nature04421	journal	January 2006
A simple empirical N -body potential for transition metals Finnis, M. W.; Sinclair, J. E. Philosophical Magazine A, Vol. 50, Issue 1 https://doi.org/10.1080/01418618408244210	journal	July 1984
Structural processes that initiate shear localization in metallic glass Cao, A. J.; Cheng, Y. Q.; Ma, E. Acta Materialia, Vol. 57, Issue 17 https://doi.org/10.1016/j.actamat.2009.07.016	journal	October 2009
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
Structural modification through pressurized sub-T _g annealing of metallic glasses Foroughi, A.; Ashuri, H.; Tavakoli, R. Journal of Applied Physics, Vol. 122, Issue 21 https://doi.org/10.1063/1.5004058	journal	December 2017
Rheology and Ultrasonic Properties of Metallic Glass-Forming Liquids: A Potential Energy Landscape Perspective Johnson, William L.; Demetriou, Marios D.; Harmon, John S. MRS Bulletin, Vol. 32, Issue 8 https://doi.org/10.1557/mrs2007.127	journal	August 2007
The thermodynamic re-assessment of the Cu–Zr system Wang, Na; Li, Changrong; Du, Zhenmin Calphad, Vol. 30, Issue 4 https://doi.org/10.1016/j.calphad.2006.06.002	journal	December 2006
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
Interactions between non-screw lattice dislocations and coherent twin boundaries in face-centered cubic metals Jin, Z. -H.; Gumbsch, P.; Albe, K. Acta Materialia, Vol. 56, Issue 5 https://doi.org/10.1016/j.actamat.2007.11.020	journal	March 2008
Local atomic arrangements and their topology in Ni–Zr and Cu–Zr glassy and crystalline alloys Kaban, I.; Jóvári, P.; Kokotin, V. Acta Materialia, Vol. 61, Issue 7 https://doi.org/10.1016/j.actamat.2013.01.027	journal	April 2013
Metallic Glasses Greer, A. L. Science, Vol. 267, Issue 5206 https://doi.org/10.1126/science.267.5206.1947	journal	March 1995
Beyond Finite-Size Scaling in Solidification Simulations Streitz, Frederick H.; Glosli, James N.; Patel, Mehul V. Physical Review Letters, Vol. 96, Issue 22 https://doi.org/10.1103/PhysRevLett.96.225701	journal	June 2006
Fractal atomic-level percolation in metallic glasses Chen, D. Z.; Shi, C. Y.; An, Q. Science, Vol. 349, Issue 6254 https://doi.org/10.1126/science.aab1233	journal	September 2015
Correlation between structural relaxation and connectivity of icosahedral clusters in CuZr metallic glass-forming liquids Wu, Z. W.; Li, M. Z.; Wang, W. H. Physical Review B, Vol. 88, Issue 5 https://doi.org/10.1103/PhysRevB.88.054202	journal	August 2013
Nucleation instability in supercooled Cu–Zr–Al glass-forming liquids Ryltsev, R. E.; Klumov, B. A.; Chtchelkatchev, N. M. The Journal of Chemical Physics, Vol. 149, Issue 16 https://doi.org/10.1063/1.5054631	journal	October 2018
Fractal analysis on the cluster network in metallic liquid and glass Yang, M. H.; Li, J. H.; Liu, B. X. Journal of Alloys and Compounds, Vol. 757 https://doi.org/10.1016/j.jallcom.2018.05.069	journal	August 2018
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
Atomic structure of shear bands in Cu64Zr36 metallic glasses studied by molecular dynamics simulations Feng, Shidong; Qi, Li; Wang, Limin Acta Materialia, Vol. 95 https://doi.org/10.1016/j.actamat.2015.05.047	journal	August 2015
Geometry of Slow Structural Fluctuations in a Supercooled Binary Alloy Pedersen, Ulf R.; Schrøder, Thomas B.; Dyre, Jeppe C. Physical Review Letters, Vol. 104, Issue 10 https://doi.org/10.1103/PhysRevLett.104.105701	journal	March 2010
Plastic flow softening in a bulk metallic glass Bhowmick, R.; Raghavan, R.; Chattopadhyay, K. Acta Materialia, Vol. 54, Issue 16 https://doi.org/10.1016/j.actamat.2006.05.011	journal	September 2006
Embrittlement of a bulk metallic glass due to sub- annealing Murali, P.; Ramamurty, U. Acta Materialia, Vol. 53, Issue 5 https://doi.org/10.1016/j.actamat.2004.11.040	journal	March 2005
Implementing molecular dynamics on hybrid high performance computers – short range forces Brown, W. Michael; Wang, Peng; Plimpton, Steven J. Computer Physics Communications, Vol. 182, Issue 4 https://doi.org/10.1016/j.cpc.2010.12.021	journal	April 2011
Cooling rate dependence of structural order in Al90Sm10 metallic glass Sun, Yang; Zhang, Yue; Zhang, Feng Journal of Applied Physics, Vol. 120, Issue 1 https://doi.org/10.1063/1.4955223	journal	July 2016
Structural Relaxation Made Simple Bitzek, Erik; Koskinen, Pekka; Gähler, Franz Physical Review Letters, Vol. 97, Issue 17 https://doi.org/10.1103/PhysRevLett.97.170201	journal	October 2006
Icosahedral superclusters in ${Cu}_{64} {Zr}_{36}$ metallic glass Zemp, J.; Celino, M.; Schönfeld, B. Physical Review B, Vol. 90, Issue 14 https://doi.org/10.1103/PhysRevB.90.144108	journal	October 2014
Structure-property relationships in nanoporous metallic glasses Şopu, D.; Soyarslan, C.; Sarac, B. Acta Materialia, Vol. 106 https://doi.org/10.1016/j.actamat.2015.12.026	journal	March 2016
Crystal-Like Rearrangements of Icosahedra in Simulated Copper-Zirconium Metallic Glasses and their Effect on Mechanical Properties Zemp, J.; Celino, M.; Schönfeld, B. Physical Review Letters, Vol. 115, Issue 16 https://doi.org/10.1103/PhysRevLett.115.165501	journal	October 2015
Predicting the solid state phase diagram for glass-forming alloys of copper and zirconium Tang, C.; Harrowell, Peter Journal of Physics: Condensed Matter, Vol. 24, Issue 24 https://doi.org/10.1088/0953-8984/24/24/245102	journal	May 2012
Atomic level stresses Egami, T. Progress in Materials Science, Vol. 56, Issue 6 https://doi.org/10.1016/j.pmatsci.2011.01.004	journal	August 2011
First-principles calculations of structural energetics of Cu–TM (TM=Ti, Zr, Hf) intermetallics Ghosh, G. Acta Materialia, Vol. 55, Issue 10 https://doi.org/10.1016/j.actamat.2007.01.037	journal	June 2007
Development of interatomic potentials appropriate for simulation of devitrification of Al ₉₀ Sm ₁₀ alloy Mendelev, M. I.; Zhang, F.; Ye, Z. Modelling and Simulation in Materials Science and Engineering, Vol. 23, Issue 4 https://doi.org/10.1088/0965-0393/23/4/045013	journal	April 2015
Metallic glasses Suryanarayana, C. Bulletin of Materials Science, Vol. 6, Issue 3 https://doi.org/10.1007/bf02744086	journal	July 1984
Shear bands in metallic glasses Greer, A. L.; Cheng, Y. Q.; Ma, E. Materials Science and Engineering: R: Reports, Vol. 74, Issue 4 https://doi.org/10.1016/j.mser.2013.04.001	journal	April 2013
Bi-crystallographic lattice structure directs grain boundary motion under shear stress Wan, Liang; Han, Weizhong; Chen, Kai Scientific Reports, Vol. 5, Issue 1 https://doi.org/10.1038/srep13441	journal	August 2015
An instability index of shear band for plasticity in metallic glasses Han, Z.; Wu, W. F.; Li, Y. Acta Materialia, Vol. 57, Issue 5 https://doi.org/10.1016/j.actamat.2008.11.018	journal	March 2009
Phase stability, elastic and electronic properties of Cu–Zr binary system intermetallic compounds: A first-principles study Du, Jinglian; Wen, Bin; Melnik, Roderick Journal of Alloys and Compounds, Vol. 588 https://doi.org/10.1016/j.jallcom.2013.11.018	journal	March 2014
Cooling rate dependence of simulated Cu _64.5 Zr _35.5 metallic glass structure Ryltsev, R. E.; Klumov, B. A.; Chtchelkatchev, N. M. The Journal of Chemical Physics, Vol. 145, Issue 3 https://doi.org/10.1063/1.4958631	journal	July 2016
Networked interpenetrating connections of icosahedra: Effects on shear transformations in metallic glass Lee, Mirim; Lee, Chang-Myeon; Lee, Kwang-Ryeol Acta Materialia, Vol. 59, Issue 1 https://doi.org/10.1016/j.actamat.2010.09.020	journal	January 2011
Variation of glass transition temperature of Al90Sm10 metallic glass under pressurized cooling Mishra, Srishti; Pal, Snehanshu Journal of Non-Crystalline Solids, Vol. 500 https://doi.org/10.1016/j.jnoncrysol.2018.08.006	journal	November 2018
Power-law scaling and fractal nature of medium-range order in metallic glasses Ma, D.; Stoica, A. D.; Wang, X. -L. Nature Materials, Vol. 8, Issue 1 https://doi.org/10.1038/nmat2340	journal	December 2008
Universal Fractional Noncubic Power Law for Density of Metallic Glasses Zeng, Qiaoshi; Kono, Yoshio; Lin, Yu Physical Review Letters, Vol. 112, Issue 18 https://doi.org/10.1103/PhysRevLett.112.185502	journal	May 2014
Structure-property relationships in nanoporous metallic glasses Şopu, Daniel; Soyarslan, Celal; Sarac, Baran Elsevier https://doi.org/10.15480/882.1876	text	January 2016
Local atomic arrangements and their topology in Ni-Zr and Cu-Zr glassy and crystalline alloys Kaban, I.; Jóvári, P.; Kokotin, V. Deutsches Elektronen-Synchrotron, DESY, Hamburg https://doi.org/10.3204/phppubdb-26288	text	January 2013
Cooling rate dependence of simulated ${\rm Cu_{64.5}Zr_{35.5}}$ metallic glass structure Ryltsev, R. E.; Klumov, B. A.; Chtchelkatchev, N. M. arXiv https://doi.org/10.48550/arxiv.1604.07024	text	January 2016
On the role of Sm in solidification of Al-Sm metallic glasses Bokas, G. B.; Zhao, L.; Perepezko, J. H. arXiv https://doi.org/10.48550/arxiv.1608.01226	text	January 2016
Nucleation instability in super-cooled Cu-Zr-Al glass-forming liquids Ryltsev, R. E.; Klumov, B. A.; Chtchelkatchev, N. M. arXiv https://doi.org/10.48550/arxiv.1809.00198	text	January 2018
Dynamics of Viscoplastic Deformation in Amorphous Solids Falk, M. L.; Langer, J. S. arXiv https://doi.org/10.48550/arxiv.cond-mat/9712114	text	January 1997

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Title: Microstructure evolution during near- $T_{g}$ annealing and its effect on shear banding in model alloys