| People | Locations | Statistics |
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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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Wang, Lei
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (23/23 displayed)
- 2023An analysis of rotationally moulded sandwich structure’s repeated impact properties
- 2023Fusion of Ni Plating on CP-Titanium by Electron Beam Single-Track Scanning: Toward a New Approach for Fabricating TiNi Self-Healing Shape Memory Coating
- 2022Green synthesis of Ag/Fe3O4 nanoparticles using Mentha longifolia flower extract: evaluation of its antioxidant and anti-lung cancer effects
- 2022An atomistic simulation study of rapid solidification kinetics and crystal defects in dilute Al–Cu alloyscitations
- 2022Multiscale analysis of crystalline defect formation in rapid solidification of pure aluminium and aluminium–copper alloyscitations
- 2022Reprocessed materials used in rotationally moulded sandwich structures for enhancing environmental sustainability: low-velocity impact and flexure-after-impact responsescitations
- 2022Multiscale analysis of crystal defect formation in rapid solidification of pure aluminium and aluminium-copper alloys
- 2022Mechanically Flexible Thermoelectric Hybrid Thin Films by Introduction of PEDOT:PSS in Nanoporous Ca3Co4O9citations
- 2021On the use of limestone calcined clay cement (LC<sup>3</sup>) in high-strength strain-hardening cement-based composites (HS-SHCC)citations
- 2021Bimetallic effects on Zn-Cu electrocatalysts enhance activity and selectivity for the conversion of CO2 to COcitations
- 2021Growth and optical properties of CaxCoO2 thin filmscitations
- 2021Guiding the Catalytic Properties of Copper for Electrochemical CO2 Reduction by Metal Atom Decoration.citations
- 2020The role of zinc in metakaolin-based geopolymerscitations
- 2020Unconventional valley-dependent optical selection rules and landau level mixing in bilayer graphenecitations
- 2019Magic continuum in twisted bilayer WSe2
- 2019An investigation of low velocity impact properties of rotationally molded skin–foam–skin sandwich structurecitations
- 2018Fracture toughness of rotationally molded polyethylene and polypropylenecitations
- 2016Nonlinear Generation of Vector Beams from AlGaAs Nanoantennascitations
- 2016Electron optics with p-n junctions in ballistic graphenecitations
- 2014Charge Control And Wettability Alteration At Solid-liquid Interfacescitations
- 2011A Common Genetic Variant in the 3′-UTR of Vacuolar H <sup>+</sup> -ATPase <i>ATP6V0A1</i> Creates a Micro-RNA Motif to Alter Chromogranin A Processing and Hypertension Riskcitations
- 2008Heritability and Genome-Wide Linkage in US and Australian Twins Identify Novel Genomic Regions Controlling Chromogranin Acitations
- 2007Polysulfide networks. in Situ formation and characterization of the elastomeric behaviorcitations
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article
An atomistic simulation study of rapid solidification kinetics and crystal defects in dilute Al–Cu alloys
Abstract
Rapid solidification kinetics of dilute Al–Cu alloys is simulated using a quantum mechanics based bond-order potential (BOP), in free solidification conditions, to determine kinetic and thermodynamic properties of solidification, as well as point defects and chemical ordering of the solidified structures. We measure the anisotropic kinetic coefficient, anisotropic solid–liquid interface energy, as well as solute trapping kinetics in terms of partition coefficient versus velocity and solute drag coefficient. Furthermore, solid–liquid interface free energy and its anisotropy are measured in equilibrium simulations, showing reasonably good agreement with previous studies. We also verified the self-consistency of the MD simulations, by comparing the interfacial temperature vs. velocity to that predicted by the continuous growth model. These solid–liquid interface properties are important for quantitative parametrization of larger scale solidification modeling techniques such as phase field models. We also investigated the point defect content, local chemical ordering, and local crystalline structures in the rapidly solidified samples. We found clustering of solute with vacancies, whereas copper atoms repelled each other in these dilute alloy simulations. In addition to vacancies, a large number of interstitials were found. In solidification velocities approaching the complete solute trapping regime, we found that the vacancies and interstitials formed in conjunction, i.e. as Frenkel pairs. Finally, in addition to FCC, we detected BCC and HCP phases, where the latter two were accompanied by an increase in local copper content. Understanding the formation of point defects and their relationship to chemical ordering is an important step towards controlling the formation of pre-precipitates and precipitates, which are an important strengthening mechanism for aluminum–copper alloys.