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Naji, M. |
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Motta, Antonella |
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Aletan, Dirar |
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Mohamed, Tarek |
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Ertürk, Emre |
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Taccardi, Nicola |
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Kononenko, Denys |
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Petrov, R. H. | Madrid |
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Alshaaer, Mazen | Brussels |
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Bih, L. |
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Casati, R. |
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Muller, Hermance |
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Kočí, Jan | Prague |
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Šuljagić, Marija |
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Kalteremidou, Kalliopi-Artemi | Brussels |
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Azam, Siraj |
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Ospanova, Alyiya |
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Blanpain, Bart |
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Ali, M. A. |
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Popa, V. |
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Rančić, M. |
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Ollier, Nadège |
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Azevedo, Nuno Monteiro |
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Landes, Michael |
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Rignanese, Gian-Marco |
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Todd, Iain
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Topics
Publications (15/15 displayed)
- 2024An in situ imaging investigation of the effect of gas flow rates on directed energy depositioncitations
- 2024An in situ imaging investigation of the effect of gas flow rates on directed energy depositioncitations
- 2023Controlling grain structure in metallic additive manufacturing using a versatile, inexpensive process control systemcitations
- 2023In situ TiC reinforced Ti6Al4V matrix composites manufactured via selective laser meltingcitations
- 2023Controlling grain structure in metallic additive manufacturing using a simple, inexpensive process control system
- 2019Exploiting thermal strain to achieve an in-situ magnetically graded materialcitations
- 2019Influence of solidification cell structure on the martensitic transformation in additively manufactured steelscitations
- 2017Atomic structure of Mg-based metallic glasses from molecular dynamics and neutron diffraction
- 2017Atomic structure of Mg-based metallic glasses from molecular dynamics and neutron diffractioncitations
- 2016On the use of cryomilling and spark plasma sintering to achieve high strength in a magnesium alloycitations
- 2016The Effectiveness of Hot Isostatic Pressing for Closing Porosity in Titanium Parts Manufactured by Selective Electron Beam Meltingcitations
- 2015New compositional design for creating tough metallic glass composites with excellent work hardeningcitations
- 2009Effect of phosphorus and strontium additions on formation temperature and nucleation density of primary silicon in Al-19 Wt Pct Si alloy and their effect on eutectic temperaturecitations
- 2006The Effect of Casting Variables on the Structure of Hypereutectic Al-Si Alloyscitations
- 2006Directly quenched bulk nanocrystalline (Pr, Dy)-(Fe, Co)-B-Zr-Ti hard magnetscitations
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article
Atomic structure of Mg-based metallic glasses from molecular dynamics and neutron diffraction
Abstract
We use a combination of classical molecular dynamics simulation and neutron diffraction to identify the atomic structure of five different Mg–Zn–Ca bulk metallic glasses, covering a range of compositions with substantially different behaviour when implanted in vitro. There is very good agreement between the structures obtained from computer simulation and those found experimentally. Bond lengths and the total correlation function do not change significantly with composition. The zinc and calcium bonding shows differences between composition: the distribution of Zn–Ca bond lengths becomes narrower with increasing Zn content, and the preference for Zn and Ca to avoid bonding to themselves or each other becomes less strong, and, for Zn–Ca, transforms into a positive preference to bond to each other. This transition occurs at about the same Zn content at which the behaviour on implantation changes, hinting at a possible structural connection. A very broad distribution of Voronoi polyhedra are also found, and this distribution broadens with increasing Zn content. The efficient cluster packing model, which is often used to describe the structure of bulk metallic glasses, was found not to describe these systems well.