Intrinsic and extrinsic effects on the fracture toughness of ductile metallic glasses
Abstract
The potential application of metallic glasses (MGs) as structural materials demands accurate measurements of their toughness and the understanding of the underlying factors affecting it. Currently, it is challenging to precisely measure the toughness of MGs, especially ductile MGs. Measured toughness values are widely scattered, even for MGs with identical compositions. That is attributed to the combined effect of intrinsic and extrinsic factors including processing, sample geometries, and loading conditions. A fundamental understanding of the influences of these elements is thus of great significance. In the present study, molecular dynamics simulations are performed to investigate the influence of intrinsic and extrinsic effects on the fracture toughness of CuZr MGs. In particular, focused is placed on the effects of cooling rate, notch shape and size, strain rate, and temperature. The results indicate that the fracture toughness of a MG scales with the cooling rate used to prepare it. This is attributed to increased free volume content generated at high cooling rates, which enhances plastic deformation and amplifies the associated energy dissipation during plastic deformation events. Fracture toughness also increases with the strain rate, arguably due to strain rate-induced crack extension delay. Overall, the results demonstrate that the largest fracture toughness aremore »
- Authors:
-
[1];
- Xi'an Jiaotong Univ. (China)
- Inst. of High Performance Computing (Singapore)
- Univ. of Southern California, Los Angeles, CA (United States)
- Publication Date:
- Research Org.:
- Univ. of Southern California, Los Angeles, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division; National Natural Science Foundation of China (NSFC)
- OSTI Identifier:
- 1827496
- Grant/Contract Number:
- SC0020295; 11790293; 11972278; 11772250
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Mechanics of Materials
- Additional Journal Information:
- Journal Volume: 162; Journal ID: ISSN 0167-6636
- Publisher:
- Elsevier
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; Fracture energy; Metallic glass; Molecular dynamics simulation
Citation Formats
Li, Hong, Pei, Qing-Xiang, Sha, Zhen-Dong, and Branicio, Paulo S. Intrinsic and extrinsic effects on the fracture toughness of ductile metallic glasses. United States: N. p., 2021.
Web. doi:10.1016/j.mechmat.2021.104066.
Li, Hong, Pei, Qing-Xiang, Sha, Zhen-Dong, & Branicio, Paulo S. Intrinsic and extrinsic effects on the fracture toughness of ductile metallic glasses. United States. https://doi.org/10.1016/j.mechmat.2021.104066
Li, Hong, Pei, Qing-Xiang, Sha, Zhen-Dong, and Branicio, Paulo S. Tue .
"Intrinsic and extrinsic effects on the fracture toughness of ductile metallic glasses". United States. https://doi.org/10.1016/j.mechmat.2021.104066. https://www.osti.gov/servlets/purl/1827496.
@article{osti_1827496,
title = {Intrinsic and extrinsic effects on the fracture toughness of ductile metallic glasses},
author = {Li, Hong and Pei, Qing-Xiang and Sha, Zhen-Dong and Branicio, Paulo S.},
abstractNote = {The potential application of metallic glasses (MGs) as structural materials demands accurate measurements of their toughness and the understanding of the underlying factors affecting it. Currently, it is challenging to precisely measure the toughness of MGs, especially ductile MGs. Measured toughness values are widely scattered, even for MGs with identical compositions. That is attributed to the combined effect of intrinsic and extrinsic factors including processing, sample geometries, and loading conditions. A fundamental understanding of the influences of these elements is thus of great significance. In the present study, molecular dynamics simulations are performed to investigate the influence of intrinsic and extrinsic effects on the fracture toughness of CuZr MGs. In particular, focused is placed on the effects of cooling rate, notch shape and size, strain rate, and temperature. The results indicate that the fracture toughness of a MG scales with the cooling rate used to prepare it. This is attributed to increased free volume content generated at high cooling rates, which enhances plastic deformation and amplifies the associated energy dissipation during plastic deformation events. Fracture toughness also increases with the strain rate, arguably due to strain rate-induced crack extension delay. Overall, the results demonstrate that the largest fracture toughness are achieved when MG samples are fabricated at high cooling rates and subjected to high strain rate deformation. In addition, results suggest that the fracture toughness decreases with increasing temperature, due to the significant decrease in strength. Here, the correlations revealed between these crucial intrinsic and extrinsic parameters and the calculated MG fracture toughness support the development of a framework to understand the root of the discrepancies in the measurement of the toughness of MGs and provide insights into the design of tough MGs for structural applications.},
doi = {10.1016/j.mechmat.2021.104066},
journal = {Mechanics of Materials},
number = ,
volume = 162,
place = {United States},
year = {Tue Sep 14 00:00:00 EDT 2021},
month = {Tue Sep 14 00:00:00 EDT 2021}
}
Free Publicly Available Full Text
Publisher's Version of Record
Other availability
Search WorldCat to find libraries that may hold this journal
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
Metallic glasses as structural materials
journal, February 2006
- Ashby, M.; Greer, A.
- Scripta Materialia, Vol. 54, Issue 3
Event-Based Relaxation of Continuous Disordered Systems
journal, November 1996
- Barkema, G. T.; Mousseau, Normand
- Physical Review Letters, Vol. 77, Issue 21
Does the fracture toughness of bulk metallic glasses scatter?
journal, October 2015
- Chen, Wen; Ketkaew, Jittisa; Liu, Ze
- Scripta Materialia, Vol. 107
Flaw tolerance of metallic glasses
journal, April 2016
- Chen, Wen; Liu, Ze; Ketkaew, Jittisa
- Acta Materialia, Vol. 107
Processing effects on fracture toughness of metallic glasses
journal, March 2017
- Chen, Wen; Zhou, Haofei; Liu, Ze
- Scripta Materialia, Vol. 130
Test sample geometry for fracture toughness measurements of bulk metallic glasses
journal, February 2018
- Chen, Wen; Zhou, Haofei; Liu, Ze
- Acta Materialia, Vol. 145
Nature of crack-tip plastic zone in metallic glasses
journal, February 2016
- Chen, Y.; Dai, L. H.
- International Journal of Plasticity, Vol. 77
Local order influences initiation of plastic flow in metallic glass: Effects of alloy composition and sample cooling history
journal, October 2008
- Cheng, Y. Q.; Cao, A. J.; Sheng, H. W.
- Acta Materialia, Vol. 56, Issue 18
A damage-tolerant glass
journal, January 2011
- Demetriou, Marios D.; Launey, Maximilien E.; Garrett, Glenn
- Nature Materials, Vol. 10, Issue 2
On measuring the fracture energy of model metallic glasses
journal, July 2018
- Deng, Binghui; Shi, Yunfeng
- Journal of Applied Physics, Vol. 124, Issue 3
Energy landscape-driven non-equilibrium evolution of inherent structure in disordered material
journal, May 2017
- Fan, Yue; Iwashita, Takuya; Egami, Takeshi
- Nature Communications, Vol. 8, Issue 1
Mode II fracture behavior of a Zr-based bulk metallic glass
journal, November 2006
- Flores, Katharine M.; Dauskardt, Reinhold H.
- Journal of the Mechanics and Physics of Solids, Vol. 54, Issue 11
Elucidating how correlated operation of shear transformation zones leads to shear localization and fracture in metallic glasses: Tensile tests on Cu Zr based metallic-glass microwires, molecular dynamics simulations, and modelling
journal, August 2019
- Gan, K. F.; Jiang, S. S.; Huang, Y. J.
- International Journal of Plasticity, Vol. 119
Effect of microalloying on the toughness of metallic glasses
journal, December 2012
- Garrett, Glenn R.; Demetriou, Marios D.; Chen, Jason
- Applied Physics Letters, Vol. 101, Issue 24
Mechanisms for fracture and fatigue-crack propagation in a bulk metallic glass
journal, July 1999
- Gilbert, C. J.; Schroeder, V.; Ritchie, R. O.
- Metallurgical and Materials Transactions A, Vol. 30, Issue 7
Stored energy in metallic glasses due to strains within the elastic limit
journal, April 2016
- Greer, A. L.; Sun, Y. H.
- Philosophical Magazine, Vol. 96, Issue 16
An atomistic study of brittle fracture: Toward explicit failure criteria from atomistic modeling
journal, November 1995
- Gumbsch, Peter
- Journal of Materials Research, Vol. 10, Issue 11
Cooling-rate dependence of the density of bulk metallic glass
journal, October 2001
- Hu, X.; Ng, S. C.; Feng, Y. P.
- Physical Review B, Vol. 64, Issue 17
Fatigue deformation of microsized metallic glasses
journal, May 2013
- Jang, Dongchan; Maaß, Robert; Wang, Gongyao
- Scripta Materialia, Vol. 68, Issue 10
Bulk Glass-Forming Metallic Alloys: Science and Technology
journal, October 1999
- Johnson, William L.
- MRS Bulletin, Vol. 24, Issue 10
Toughness of Zr55Cu30Al10Ni5 bulk metallic glass for two oxygen levels
journal, August 2006
- Keryvin, V.; Bernard, C.; Sanglebœuf, J. -C.
- Journal of Non-Crystalline Solids, Vol. 352, Issue 26-27
Temperature dependence of mechanical properties and pressure sensitivity in metallic glasses below glass transition
journal, April 2008
- Keryvin, V.; Eswar Prasad, K.; Gueguen, Y.
- Philosophical Magazine, Vol. 88, Issue 12
Non-crystalline Structure in Solidified Gold–Silicon Alloys
journal, September 1960
- Klement, W.; Willens, R. H.; Duwez, Pol
- Nature, Vol. 187, Issue 4740
On the Fracture Toughness of Advanced Materials
journal, May 2009
- Launey, Maximilien E.; Ritchie, Robert O.
- Advanced Materials, Vol. 21, Issue 20
Intrinsic plasticity or brittleness of metallic glasses
journal, February 2005
- Lewandowski *, J. J.; Wang, W. H.; Greer, A. L.
- Philosophical Magazine Letters, Vol. 85, Issue 2
Mechanical properties of nanoporous metallic glasses: Insights from large-scale atomic simulations
journal, April 2020
- Lin, Wei-Hui; Teng, Yun; Sha, Zhen-Dong
- International Journal of Plasticity, Vol. 127
Fracture toughness and notched toughness of bulk amorphous alloy: Zr-Ti-Ni-Cu-Be
journal, May 1998
- Lowhaphandu, P.; Lewandowski, J. J.
- Scripta Materialia, Vol. 38, Issue 12
Shear-Band Dynamics in Metallic Glasses
journal, March 2015
- Maaß, Robert; Löffler, Jörg F.
- Advanced Functional Materials, Vol. 25, Issue 16
Chemical bonding effects on the brittle-to-ductile transition in metallic glasses
journal, April 2020
- Moitzi, F.; Şopu, D.; Holec, D.
- Acta Materialia, Vol. 188
A quantitative connection between shear band mediated plasticity and fracture initiation toughness of metallic glasses
journal, May 2018
- Narayan, R. L.; Raut, Devaraj; Ramamurty, U.
- Acta Materialia, Vol. 150
Wallner lines, crack velocity and mechanisms of crack nucleation and growth in a brittle bulk metallic glass
journal, November 2014
- Narayan, R. L.; Tandaiya, Parag; Narasimhan, R.
- Acta Materialia, Vol. 80
Effects of notches on the deformation behavior of submicron sized metallic glasses: Insights from in situ experiments
journal, August 2018
- Narayan, R. Lakshmi; Tian, Lin; Zhang, Danli
- Acta Materialia, Vol. 154
Fast Parallel Algorithms for Short-Range Molecular Dynamics
journal, March 1995
- Plimpton, Steve
- Journal of Computational Physics, Vol. 117, Issue 1
Shear fracture in bulk metallic glass composites
journal, July 2021
- Rajpoot, Devashish; Narayan, R. Lakshmi; Zhang, Long
- Acta Materialia, Vol. 213
Temperature-dependence of mode I fracture toughness of a bulk metallic glass
journal, February 2018
- Raut, Devaraj; Narayan, R. L.; Tandaiya, Parag
- Acta Materialia, Vol. 144
Atomistic Theory and Simulation of Fracture
journal, May 2000
- Selinger, Robin L. B.; Farkas, Diana
- MRS Bulletin, Vol. 25, Issue 5
Strong and ductile nanolaminate composites combining metallic glasses and nanoglasses
journal, March 2017
- Sha, Zhen-Dong; Branicio, Paulo Sergio; Lee, Heow Pueh
- International Journal of Plasticity, Vol. 90
On the notch sensitivity of CuZr metallic glasses
journal, August 2013
- Sha, Zhen-Dong; Pei, Qing-Xiang; Sorkin, Viacheslav
- Applied Physics Letters, Vol. 103, Issue 8
Metallic glass-based chiral nanolattice: Light weight, auxeticity, and superior mechanical properties
journal, December 2017
- Sha, Z. D.; She, C. M.; Xu, G. K.
- Materials Today, Vol. 20, Issue 10
Atomistic origin of size effects in fatigue behavior of metallic glasses
journal, July 2017
- Sha, Zhendong; Wong, Wei Hin; Pei, Qingxiang
- Journal of the Mechanics and Physics of Solids, Vol. 104
Theory of Shear Banding in Metallic Glasses and Molecular Dynamics Calculations
journal, January 2007
- Shimizu, Futoshi; Ogata, Shigenobu; Li, Ju
- MATERIALS TRANSACTIONS, Vol. 48, Issue 11
An atomic-level perspective of shear band formation and interaction in monolithic metallic glasses
journal, December 2020
- Şopu, D.; Moitzi, F.; Mousseau, N.
- Applied Materials Today, Vol. 21
Atomic-Level Processes of Shear Band Nucleation in Metallic Glasses
journal, November 2017
- Şopu, D.; Stukowski, A.; Stoica, M.
- Physical Review Letters, Vol. 119, Issue 19
Intrinsic toughness of the bulk-metallic glass Vitreloy 105 measured using micro-cantilever beams
journal, January 2020
- Sorensen, Daniel; Hintsala, Eric; Stevick, Joseph
- Acta Materialia, Vol. 183
The fracture of bulk metallic glasses
journal, October 2015
- Sun, B. A.; Wang, W. H.
- Progress in Materials Science, Vol. 74
On the mechanism and the length scales involved in the ductile fracture of a bulk metallic glass
journal, March 2013
- Tandaiya, Parag; Narasimhan, R.; Ramamurty, U.
- Acta Materialia, Vol. 61, Issue 5
Intermediate Temperature Brittleness in Metallic Glasses
journal, February 2017
- Wang, Chao; Cao, Qing Ping; Wang, Xiao Dong
- Advanced Materials, Vol. 29, Issue 14
Nanoscale Periodic Morphologies on the Fracture Surface of Brittle Metallic Glasses
journal, June 2007
- Wang, G.; Zhao, D. Q.; Bai, H. Y.
- Physical Review Letters, Vol. 98, Issue 23
Cast defects induced sample-size dependency on compressive strength and fracture toughness of Mg–Cu–Ag–Gd bulk metallic glass
journal, October 2012
- Wang, Shao-Gang; Sun, Ming-Yue; Song, Zhen-Qiang
- Intermetallics, Vol. 29
The elastic properties, elastic models and elastic perspectives of metallic glasses
journal, April 2012
- Wang, Wei Hua
- Progress in Materials Science, Vol. 57, Issue 3
Size Effect on Shear Fracture and Fragmentation of a Fe 57.6 Co 14.4 B 19.2 Si 4.8 Nb 4 Bulk Metallic Glass
journal, August 2008
- Wu, F. -F.; Zhang, Z. -F.; Shen, B. -L.
- Advanced Engineering Materials, Vol. 10, Issue 8
Deformation-induced spatiotemporal fluctuation, evolution and localization of strain fields in a bulk metallic glass
journal, August 2015
- Wu, Y.; Bei, H.; Wang, Y. L.
- International Journal of Plasticity, Vol. 71
Fracture of Brittle Metallic Glasses: Brittleness or Plasticity
journal, April 2005
- Xi, X. K.; Zhao, D. Q.; Pan, M. X.
- Physical Review Letters, Vol. 94, Issue 12
The fracture toughness of bulk metallic glasses
journal, April 2010
- Xu, Jian; Ramamurty, Upadrasta; Ma, Evan
- JOM, Vol. 62, Issue 4
Intrinsic and extrinsic effects on the brittle-to-ductile transition in metallic glasses
journal, September 2020
- Yuan, X.; Şopu, D.; Moitzi, F.
- Journal of Applied Physics, Vol. 128, Issue 12
On the origin of softening in the plastic deformation of metallic glasses
journal, May 2019
- Zhang, M.; Chen, Y.; Li, W.
- International Journal of Plasticity, Vol. 116
Molecular dynamics study on the nano-void growth in face-centered cubic single crystal copper
journal, September 2009
- Zhao, K. J.; Chen, C. Q.; Shen, Y. P.
- Computational Materials Science, Vol. 46, Issue 3
Multiaxial behavior of nanoporous single crystal copper: a molecular dynamics study
journal, December 2009
- Zhao, Kejie; Fan, Liangliang; Chen, Changqing
- Acta Mechanica Solida Sinica, Vol. 22, Issue 6
Review of fracture toughness (G, K, J, CTOD, CTOA) testing and standardization
journal, May 2012
- Zhu, Xian-Kui; Joyce, James A.
- Engineering Fracture Mechanics, Vol. 85
Elevating the fracture toughness of Cu49Hf42Al9 bulk metallic glass: Effects of cooling rate and frozen-in excess volume
journal, March 2014
- Zhu, Zhen-Dong; Ma, Evan; Xu, Jian
- Intermetallics, Vol. 46