Gibbs energies, phase diagram assessment and diffusion mobilities

• Interdiffusion and atomic mobilities ( within the collaboration with Yuan Yuan, Professor at Chongqing University)

  • Interdiffusion and atomic mobility of the Mg-Ag-Zn system (2023)

  • Interdiffusion and atomic mobility of the Mg-Sn-Zn system (2023)

  • Diffusion multiple study of the Co-Fe-Ni system at 800°C (2019)

  • Diffusion multiple study of Co-Ni-Ti system at 1073 K (2018)

  • Investigation of diffusion behaviour in Cu-Sn solid state diffusion couples (2016)

• Biodegradable implants based on Mg-Ca-Si-Sr 

  • Study on Mg-Si-Sr ternary alloys for biomedical applications (2018)

  • Microstructure and mechanical characterization of cast Mg-Ca-Si alloys (2017)

  • Microstructure and degradation performance of biodegradable Mg-Si-Sr implant alloys (2017)

  • Identification and description of intermetallic compounds in Mg-Si-Sr cast and heat-treated alloys (2016)

  • Correlation between mechanical behaviour and microstructure in the Mg-Ca-Si-Sr system for degradable biomaterials based on thermodynamic calculations (2015)

• Thermodynamic optimization of the lead-free solder system Bi-In-Sn-Zn (2003)

Corrosion and stability of liquid lead-bitmuth eutectic through collaboration with SCK-CEN

• Kinetics of the Fe3O4-Fe203 reaction in liquid lead-bismuth eutectic (2025)

• Experimental assessment of thermodynamic stability and nucleation of NiO in liquid lead-bismuth eutectic for MYRRHA (2025)

• Identification of the Fe3O4-Fe2O3 reaction in liquid lead-bismuth eutectic (2023)

Grain structure and microstructure modeling

• Influence of surface energy anisotropy on nucleation and crystallographic texture of polycrystalline deposits (2024)

• Formation of compounds and Kirkendall vacancy in the Cu-Sn system (2014)

Nano-wire growth

• Calculation of phase equilibria for an alloy nanoparticle in contact with a solid nanowire (2011)

• Calculation of the Au-Ge phase diagram for nanoparticles (2008)

Results obtained within the project "Multi-scale modeling of reactions at solid-liquid interfaces and their effect on dynamic wetting and phase morphology  (C14/17/075), " , with PIs N. Moelans, D. Seveno, M. Guo and collaborators Ensieh Yousefi, Anil Kunwar, Youqing Sun, Miral Verma, Vijay Reddy, 

• Step flow mechanism in dissolutive wetting Cu/Ni systems (2025)

• An atomic-level insight in the transition from non-reactive to reactive wetting using molecular dynamics simulations (2024)

• Aluminium droplets on Ni substrates: Evaluating high-temperature oxidation at the liquid/gas interface (2024)

• Unravelling the evolution of oxides at the aluminum liquid/vapor interface (2024)

• Modeling of surface phenomena of liquid Al-Ni alloys using molecular dynamics (2023)

• Dynamics of intermetallics formation in the Al/Ni reactive wetting system (2023)

• Fracture mechanisms of Ni-Al interfaces  -- A nanoscale view (2022)

• Study of the interfacial reactions controlling the spreading of Al on Ni (2022)

• Surface tension of aluminum-oxygen system: A molecular dynamics study (2021)

Results obtained within the collaboration with K. Verbeken, I. Bellemans, E De Wilde, Ghent University

• Investigation of origin of attached Cu-Ag droplets to solid particles during high-temperature slag/copper/spinel interactions (2017)

• Investigation of reactive origin for attachment of Cu droplets to solid particles (2017)

• Origin and sedimentation of Cu-droplets sticking to spinel solids in pyrometallurgical slags (2016)

• Investigation of high-temperature slag/copper/spinel interactions (2016)

• Wetting behaviour of Cu based alloys on spinel substrates in pyrometallurgical context (2015)