Scientific-technical journal


This article deals with the interaction between atoms in a nanoparticle and the interaction of nanoparticles with surfaces, when the interaction potentials are established as functionals of local electron density or jump integrals and parameterized based on the range of microscopic and macroscopic properties of bulk materials. Large scale computations are undertaken in order to model nanostructured Ag-Co materials synthesized by cluster deposition and to study their thermodynamic and mechanical properties. Molecular dynamic codes are developed the refore to run on parallel computers

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