An atomistic study on the structural and thermodynamic properties of Al–Fe bimetallic nanoparticles during melting and solidification: the role of size and composition
G Cuba-Supanta, J Guerrero-Sanchez… - Materials Chemistry and …, 2022 - Elsevier
Multimetallic nanoparticles (NPs) are emerging as critical nanomaterials in different fields,
due to their unique physicochemical properties. In particular, bimetallic NPs provide a …
due to their unique physicochemical properties. In particular, bimetallic NPs provide a …
Molecular dynamics and DFT study of 38-atom coinage metal clusters
OA Sanders-Gutierrez, A Luna-Valenzuela… - Computational Materials …, 2022 - Elsevier
The thermal behavior of 38-atom mono-, bi-, and trimetallic clusters consisting of Cu, Ag, and
Au atoms, is analyzed employing molecular dynamics simulations and DFT calculations for …
Au atoms, is analyzed employing molecular dynamics simulations and DFT calculations for …
Theoretical investigation of Fe–Rh binary nanoalloys: Chemical ordering and magnetic behavior
H Yıldırım - International Journal of Modern Physics B, 2022 - World Scientific
Gupta and Density Functional Theory (DFT) calculations were performed to investigate of
structural and magnetic behaviors of 19 atom Fe n Rh 1 9-n (n= 0–19) nanoalloys. A double …
structural and magnetic behaviors of 19 atom Fe n Rh 1 9-n (n= 0–19) nanoalloys. A double …