Adjaoud, Omar ; Albe, Karsten (2017)
Microstructure formation of metallic nanoglasses: Insights from molecular dynamics simulations.
In: Acta Materialia, 145
doi: 10.1016/j.actamat.2017.12.014
Artikel, Bibliographie
Kurzbeschreibung (Abstract)
We investigate the microstructure formation of Pd_80Si_20 and Cu_64Zr_36 nanoglasses by molecular dynamics simulations of the consolidation process of nanometer-sized metallic glassy spheres. Our results reveal that during cold compaction most of the glassy spheres deform by homogeneous plastic flow and in some glassy spheres strain localization occurs in a shear band which traverses the whole glassy sphere. Moreover, the porosity is closed if hydrostatic pressures exceed 4 GPa. The resulting nanoglasses are composed of glassy regions connected by glass-glass interfaces. The results reveal that the width of these interfaces is significantly larger than estimated in previous atomistic models based on planar interfaces. Moreover, structural changes occur not only in the interfaces but also in the glassy regions. In addition, thermodynamics analysis show that surface segregation is favorable in the primary glassy spheres but not always in the nanoglass. The present findings shed light on the process of the microstructure formation of metallic nanoglasses and can serve to interpret the experimental results.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 2017 |
| Autor(en): | Adjaoud, Omar ; Albe, Karsten |
| Art des Eintrags: | Bibliographie |
| Titel: | Microstructure formation of metallic nanoglasses: Insights from molecular dynamics simulations |
| Sprache: | Englisch |
| Publikationsjahr: | 20 Dezember 2017 |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | Acta Materialia |
| Jahrgang/Volume einer Zeitschrift: | 145 |
| DOI: | 10.1016/j.actamat.2017.12.014 |
| URL / URN: | https://doi.org/10.1016/j.actamat.2017.12.014 |
| Kurzbeschreibung (Abstract): | We investigate the microstructure formation of Pd_80Si_20 and Cu_64Zr_36 nanoglasses by molecular dynamics simulations of the consolidation process of nanometer-sized metallic glassy spheres. Our results reveal that during cold compaction most of the glassy spheres deform by homogeneous plastic flow and in some glassy spheres strain localization occurs in a shear band which traverses the whole glassy sphere. Moreover, the porosity is closed if hydrostatic pressures exceed 4 GPa. The resulting nanoglasses are composed of glassy regions connected by glass-glass interfaces. The results reveal that the width of these interfaces is significantly larger than estimated in previous atomistic models based on planar interfaces. Moreover, structural changes occur not only in the interfaces but also in the glassy regions. In addition, thermodynamics analysis show that surface segregation is favorable in the primary glassy spheres but not always in the nanoglass. The present findings shed light on the process of the microstructure formation of metallic nanoglasses and can serve to interpret the experimental results. |
| Freie Schlagworte: | Nanoglass, Metallic glass, Glass-glass interface, Microstructure, Molecular dynamics simulation |
| Fachbereich(e)/-gebiet(e): | 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > Fachgebiet Materialmodellierung Zentrale Einrichtungen > Hochschulrechenzentrum (HRZ) > Hochleistungsrechner 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft Zentrale Einrichtungen > Hochschulrechenzentrum (HRZ) 11 Fachbereich Material- und Geowissenschaften Zentrale Einrichtungen |
| Hinterlegungsdatum: | 30 Jan 2018 09:42 |
| Letzte Änderung: | 30 Jan 2018 09:42 |
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