Peng, Chuan-Xiao ; Şopu, Daniel ; Song, Kai-Kai ; Zhang, Zhen-Ting ; Wang, Li ; Eckert, Jürgen (2017)
Bond length deviation in CuZr metallic glasses.
In: Physical Review B, 96 (17)
doi: 10.1103/PhysRevB.96.174112
Artikel, Bibliographie
Kurzbeschreibung (Abstract)
We define a structural parameter, called atomic bond length deviation (BLD_i), to characterize structural heterogeneity of CuZr melt and metallic glass (MG). Molecular dynamics simulations have been performed to explore the average BLD_i of the system evolution with temperature during Cu_64Zr_36 and Cu_50 Zr_50 MGs formation and the correlation between BLD_i and thermal relaxation/local atomic shear strain upon compressive loading. The results indicate that BLD_i contains both symmetrical characteristic and volumetric information of the short-range order clusters while symmetry seems to play a more important role in relaxation and deformation events; the fast decreasing of average BLD_i near above the glass transition temperature T_g with decreasing temperature corresponds to the sharp increase of the number of full icosahedra while the shear transformation zones or single jump events have a high propensity to originate from those regions with the higher BLD_i clusters. Additionally,the system average BLD_i can also be accessed experimentally, through the radial distribution function.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 2017 |
| Autor(en): | Peng, Chuan-Xiao ; Şopu, Daniel ; Song, Kai-Kai ; Zhang, Zhen-Ting ; Wang, Li ; Eckert, Jürgen |
| Art des Eintrags: | Bibliographie |
| Titel: | Bond length deviation in CuZr metallic glasses |
| Sprache: | Englisch |
| Publikationsjahr: | 27 November 2017 |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | Physical Review B |
| Jahrgang/Volume einer Zeitschrift: | 96 |
| (Heft-)Nummer: | 17 |
| DOI: | 10.1103/PhysRevB.96.174112 |
| URL / URN: | https://doi.org/10.1103/PhysRevB.96.174112 |
| Kurzbeschreibung (Abstract): | We define a structural parameter, called atomic bond length deviation (BLD_i), to characterize structural heterogeneity of CuZr melt and metallic glass (MG). Molecular dynamics simulations have been performed to explore the average BLD_i of the system evolution with temperature during Cu_64Zr_36 and Cu_50 Zr_50 MGs formation and the correlation between BLD_i and thermal relaxation/local atomic shear strain upon compressive loading. The results indicate that BLD_i contains both symmetrical characteristic and volumetric information of the short-range order clusters while symmetry seems to play a more important role in relaxation and deformation events; the fast decreasing of average BLD_i near above the glass transition temperature T_g with decreasing temperature corresponds to the sharp increase of the number of full icosahedra while the shear transformation zones or single jump events have a high propensity to originate from those regions with the higher BLD_i clusters. Additionally,the system average BLD_i can also be accessed experimentally, through the radial distribution function. |
| Fachbereich(e)/-gebiet(e): | 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > Fachgebiet Materialmodellierung 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft 11 Fachbereich Material- und Geowissenschaften |
| Hinterlegungsdatum: | 30 Nov 2017 11:41 |
| Letzte Änderung: | 30 Nov 2017 11:41 |
| PPN: | |
| Sponsoren: | Financial support from the National Natural Science Foundation of China (Grants No. 51371108 and No. 51501103) and the Young Scholars Program of Shandong University, Weihai are gratefully acknowledged. D.S ̧ . acknowledges the financial, support by the German Science Foundation (DFG) through Grant No. SO 1518/1-1. Additional support through the European Research Council under the ERC Advanced Grant INTELHYB (Grant No. ERC-2013-ADG-340025) is gratefully acknowledged., A major part of the present com- putation was carried out using the Supercomputer Center at Shandong University (Weihai). |
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