Quantum-Mechanical Study of Elastic Properties of Nanoparticles and Their Agglomeration Processes

The response of nanoparticles of different nature (metals, covalent materials, and oxide dielectrics) to tension, compression, and adhesion was studied using the electron density functional theory and pseudopotential methods. It was shown that the elastic modulus of nanoparticles, as a rule, exceeds the corresponding values of a bulk material by several times. Bringing together nanoparticles causes, as a rule, their spontaneous adhesion (agglomeration) accompanied by a noticeable change in the initial shape and electronic structure.