Origin of structural heterogeneity in Zr-Co-Al metallic glasses from the point of view of liquid structures
Source abstract
Abstract
Abstract To clarify the origin of structural heterogeneity in metallic glasses (MGs), liquid structures upon cooling of Zr-Co-Al alloys were simulated. Being different from Zr10Co85Al5 alloy, the first peak of pair distribution functions (PDFs) for Zr65Co30Al5 alloy exhibits a splitting behavior, which is attributed to the competition between Co-and Zr-centered clusters. The coordination numbers and chemical short-range order (SRO) analysis show that the chemical structural heterogeneity also governs the formation of Zr65Co30Al5 MG. Bond pair analysis reveals the prominence of bond pairs with five-fold symmetry for both MGs, but bond pairs in Zr65Co30Al5 MG exhibit noticeable six-fold symmetric stability. Voronoi polyhedron analysis further confirms the formation of strong chemical SROs in Zr65Co30Al5 MG. Dynamic mechanical experiments (DMA) prove the existence of structural heterogeneity, while Zr65Co30Al5 MG with more pronounced (chemical) structural heterogeneity displays larger ductility. The present work may provide a new insight into the origin of structural heterogeneity in MGs.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Metallic Glasses and Amorphous Alloys · Material Dynamics and Properties · Glass properties and applications
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References (64)
Show source-provided references
1. Bulk metallic glasses10.1016/j.mser.2004.03.001 ↗
2. Stabilization of metallic supercooled liquid and bulk amorphous alloys10.1016/S1359-6454(99)00300-6 ↗
3. Mechanical behavior of amorphous alloys10.1016/j.actamat.2007.01.052 ↗
4. Mechanical properties of bulk metallic glasses10.1016/j.pmatsci.2010.04.002 ↗
5. Influence of similar atom substitution on glass formation in (La-Ce)-Al-Co bulk metallic glasses10.1016/j.actamat.2007.02.026 ↗
6. Confusion by design10.1038/366303a0 ↗
7. Multicomponent nanoporous metals prepared by dealloying Pd80-xNixP20 metallic glasses10.1016/j.intermet.2015.02.003 ↗
8. Structural heterogeneities and mechanical behavior of amorphous alloys10.1016/j.pmatsci.2019.04.005 ↗
9. Structural origins for the generation of strength, ductility and toughness in bulk-metallic glasses using hydrogen microalloying10.1016/j.actamat.2019.04.022 ↗
10. Short-range order structure motifs learned from an atomistic model of a Zr50Cu45Al5 metallic glass10.1016/j.actamat.2019.05.002 ↗
11. Medium-range structure and glass forming ability in Zr-Cu-Al bulk metallic glasses10.1016/j.actamat.2016.02.006 ↗
12. Structural heterogeneity induced plasticity in bulk metallic glasses: from well-relaxed fragile glass to metal-like behavior
13. Intrinsic correlation between β-relaxation and spatial heterogeneity in a metallic glass10.1038/ncomms11516 ↗
14. Hidden topological order and its correlation with glass-forming ability in metallic glasses10.1038/ncomms7035 ↗
15. Effect of addition of Be on glass-forming ability, plasticity and structural change in Cu-Zr bulk metallic glasses10.1016/j.actamat.2008.02.044 ↗
16. Influence of nanoscale structural heterogeneity on shear banding in metallic glasses10.1016/j.actamat.2017.05.057 ↗
17. Signatures of distinct dynamical regimes in the energy landscape of a glass-forming liquid10.1038/31189 ↗
18. Relation between thermodynamics and kinetics of glass-forming liquids10.1103/PhysRevLett.90.055701 ↗
19. Enthalpy relaxation and its relation to the thermodynamics and crystallization of the Zr58.5Cu15.6Ni12.8Al10.3Nb2.8 bulk metallic glass-forming alloy10.1016/j.actamat.2006.09.040 ↗
20. Supercluster-coupled crystal growth in metallic glass forming liquids10.1038/s41467-019-08898-4 ↗
21. Icosahedral clustering with medium-range order and local elastic properties of amorphous metals10.1016/j.actamat.2010.03.029 ↗
22. Link between liquid structure and the nucleation barrier for icosahedral quasicrystal, polytetrahedral, and simple crystalline phases in Ti-Zr-Ni alloys: verification of Frank’s hypothesis10.1103/PhysRevB.72.174107 ↗
23. Metastable quasicrystal-induced nucleation in a bulk glass-forming liquid10.1073/pnas.1717941115 ↗
24. Dynamic relaxations and relaxation-property relationships in metallic glasses10.1016/j.pmatsci.2019.03.006 ↗
25. Computational modeling sheds light on structural evolution in metallic glasses and supercooled liquids10.1038/s41524-017-0007-1 ↗
26. Molecular dynamics study of the binary Cu46Zr54 metallic glass motivated by experiments: glass formation and atomic-level structure10.1103/PhysRevB.71.224208 ↗
27. Glass forming ability and short-range order in a binary bulk metallic glass by ab initio molecular dynamics10.1063/1.2976428 ↗
28. Recent development and application products of bulk glassy alloys10.1016/j.actamat.2010.11.027 ↗
29. A group of Cu(Zr)-based BMGs with critical diameter in the range of 12 to 18mm
30. Formation and bioactivation of Zr-Al-Co bulk metallic glasses10.1557/jmr.2009.0348 ↗
31. Enhancement of glass-forming ability and bio-corrosion resistance of Zr-Co-Al bulk metallic glasses by the addition of Ag,10.1016/j.jallcom.2010.02.078 ↗
32. Optimum Zr-Al-Co bulk metallic glass composition Zr53Al23.5Co23.510.1016/j.intermet.2004.07.004 ↗
33. Impact of the structural state on the mechanical properties in a Zr-Co-Al bulk metallic glass10.1016/j.jallcom.2014.04.008 ↗
34. Enhanced strength and transformation-induced plasticity in rapidly solidified Zr-Co-(Al) alloys10.1016/j.scriptamat.2013.02.029 ↗
35. Comparative study on glassy phase stabilities of Zr-Co-Al and Zr-Ni-Al metallic glasses10.2320/matertrans.46.2785 ↗
36. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set10.1016/0927-0256(96)00008-0 ↗
37. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/PhysRevB.54.11169 ↗
38. From ultrasoft pseudopotentials to the projector augmented-wave method10.1103/PhysRevB.59.1758 ↗
39. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
40. A unified formulation of the constant temperature molecular dynamics methods10.1063/1.447334 ↗
41. Ni- and Cu-free Zr-Al-Co-Ag bulk metallic glasses with superior glass-forming ability10.1557/jmr.2010.65 ↗
42. Liquid ejection temperature dependence of structure and glass transition behavior for rapidly solidified Zr-Al-M (M=Ni, Cu or Co) ternary glassy alloys10.1016/j.jallcom.2017.12.318 ↗
43. Glass forming ability and bending plasticity evolutions in Zr-Co-Al bulk metallic glasses and their structural origin10.1016/j.jnoncrysol.2018.02.030 ↗
44. Geometric frustration of icosahedron in metallic glasses10.1126/science.1232450 ↗
45. Coupling between chemical and dynamic heterogeneities in a multicomponent bulk metallic glass10.1103/PhysRevB.81.140204 ↗
46. Atomic size effect in the X‐ray scattering by alloys10.1063/1.1699898 ↗
47. Warren · 1990
48. X-ray measurement of order in single crystals of Cu3Au10.1063/1.1699415 ↗
49. Molecular dynamics study of melting and freezing of small Lennard-Jones clusters10.1021/j100303a014 ↗
50. Atomic-level structure and structure-property relationship in metallic glasses10.1016/j.pmatsci.2010.12.002 ↗
51. S. Hao, C. Wang, M. Kramer, K.M. Ho, Microscopic origin of slow dynamics at the good glass forming composition range in Zr1-xCux metallic liquids, 107 (2010) 053511.10.1063/1.3298896 ↗
52. Origin of splitting of the second peak in the pair-distribution function for metallic glasses10.1103/PhysRevB.84.092201 ↗
53. Preparation of bulky amorphous Zr-Al-Co-Cu alloys by copper mold casting and their thermal and mechanical properties10.2320/matertrans1989.36.391 ↗
54. New glassy Zr-Al-Fe and Zr-Al-Co alloys with a large supercooled liquid region10.2320/matertrans.43.267 ↗
55. The influence of efficient atomic packing on the constitution of metallic glasses10.1080/1478643031000098828 ↗
56. Atomic size effect on the formability of metallic glasses10.1016/0022-3093(84)90210-2 ↗
57. Topological instability as a criterion for design and selection of aluminum-based glass-former alloys10.1063/1.1931047 ↗
58. Topological instability as a criterion for design and selection of easy glass-former compositions in Cu-Zr based systems10.2320/matertrans.MJ200745 ↗
59. The e/a values of ideal metallic glasses in relation to cluster formulae10.1016/j.actamat.2011.05.065 ↗
60. Universal secondary relaxation and unusual brittle-to-ductile transition in metallic glasses10.1016/j.mattod.2017.05.007 ↗
61. Understanding of micro-alloying on plasticity in Cu46Zr47-xAl7Dyx (0≤ x ≤ 8) bulk metallic glasses under compression: based on mechanical relaxations and theoretical analysis10.1016/j.ijplas.2016.02.002 ↗
62. Revealing the link between structural relaxation and dynamic heterogeneity in glass-forming liquids
63. Structural origins of Johari-Goldstein relaxation in a metallic glass10.1038/ncomms4238 ↗
64. Tensile plasticity in metallic glasses with pronounced β; relaxations10.1103/PhysRevLett.108.015504 ↗