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cond-mat.mtrl-sci2024
Impact of local structure on melt dynamics in Cu-Ti alloys: Insights from ab-initio molecular dynamics simulations
Lucas P. Kreuzer, Fan Yang, Andreas Mayer +1
First-principle based molecular-dynamics simulations have been performed for binary CuTi (x = 0.31, 0.50, and 0.76) alloys to investigate the relationship between local…
cond-mat.dis-nn2024
Diffusion in liquid metals is directed by competing collective modes
Franz Demmel, Noel Jakse
The self-diffusion process in a dense liquid is influenced by collective particle movements. Extensive molecular dynamics simulations for liquid aluminium and rubidium evidence a c…
cond-mat.mtrl-sci2024
Homogeneous Nucleation of Undercooled Al-Ni melts via a Machine-Learned Interaction Potential
Johannes Sandberg, Thomas Voigtmann, Emilie Devijver +1
Homogeneous nucleation processes are important for understanding solidification and the resulting microstructure of materials. Simulating this process requires accurately describin…