Condensed Matter Physics

Nucleation-Controlled Doping of II–VI Semiconductor Nanocrystals Mediated by Magic-Sized Clusters

Doping quantum-confined semiconductor nanocrystals offers an effective way to tailor their unique properties. However, the inherent challenges of nanoscale doping processes, such as the low probability of successful doping, have hindered their …

Computational insights and phase transition of ruthenium alloy by classical molecular dynamics simulations

Understanding the mechanism of metal solidification holds both theoretical significance and practical importance. In this study, we conducted molecular dynamics simulations to investigate the impact of cooling rates on the solidification of a melted …

Enhancing electrochemical behavior of localized high-concentration electrolytes solvation structures through antisolvent concentration modulation

Localized high-concentration electrolytes (LHCEs) offer a promising avenue for enhancing the versatility of electrolytes owing to their unique physicochemical properties. LHCEs are formed by diluting high-concentration electrolytes (HCEs) with …

Computational Insights and Phase Transition of Ruthenium Alloy by Classical Molecular Dynamics

Understanding the mechanism of metal solidification is of great theoretical significance and has practical importance. In this study, we have conducted molecular dynamics simulations to investigate the impact of cooling rates on the solidification of …

Computational insights and phase transitions of ruthenium alloy using classical molecular dynamics

Evolution in melt structures with temperature during deep undercooling, forming uniform melt-free crystal sites, and the effect of the melt state on solidification behaviors by using embedded atom method (EAM) potential, all have theoretical …