Publications
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Modeling of surface phenomena of liquid Al-Ni alloys using molecular dynamics (vol 13, 4642, 2023) KU Leuven
Interdiffusion and atomic mobility of the Mg–Ag–Zn system KU Leuven
Diffusion couples for the Mg–Ag–Zn system were prepared using hcp-Mg single-phase solid solution alloys and pure magnesium (Mg). Their diffusion behaviour at 675–753K was analysed and the related diffusion coefficients were obtained. Combining these experimental results and the thermodynamic description, the atomic mobility parameters were optimised, and the kinetic database of the Mg–Ag–Zn ternary system was constructed for the first time. ...
A computationally efficient and mechanically compatible multi-phase-field model to stressed solids KU Leuven
Phase-field study of elastic effects on precipitate evolution in (Al) 0.05 CrFeNi KU Leuven
We introduce a new approach to include for high and medium entropy alloys, stress effects in a Phase-field model (PFM). The approach is applied to simulate the evolution of two-phase BCC/FCC microstructures of AlCrFeNi alloys, combining phase-field method with CALPHAD data and DFT (Density Functional Theory) calculations. The composition dependent Gibbs energies and diffusion mobilities of the BCC and FCC phase as a vital input for simulating ...
Dynamics of intermetallics formation in the Al/Ni reactive wetting system KU Leuven
Due to the complexity of interfacial reactions during reactive wetting process at high temperatures, the intrinsic mechanism behind the formation and growth of intermetallic compounds (IMCs) is still unclear. This study presents insight into the possible formation of Al/Ni IMCs in the Al (l)/Ni (s) wetting system at 1023.15 K using molecular dynamics (MD) simulation. The reactive wetting process has been broadly classified into three regimes ...