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MBN Explorer (MesoBioNano Explorer) is a software package for molecular dynamics simulations, structure optimization and kinetic Monte Carlo simulations. It is designed for multiscale computational analysis of structure and dynamics of atomic clusters and nanoparticles, biomolecules and nanosystems, nanostructured materials, different states of matter and various interfaces. [1]
Exabyte.io [7] - a cloud-native integrated platform for nanoscale modeling, supporting simulations at multiple scales, including Density Functional Theory and Molecular Dynamics; JCMsuite – a finite element analysis software for simulating optical properties of nanostructures; LAMMPS – Open source molecular dynamics code
The characterization of nanoparticles is a branch of nanometrology that deals with the characterization, or measurement, of the physical and chemical properties of nanoparticles.,. [1] Nanoparticles measure less than 100 nanometers in at least one of their external dimensions, and are often engineered for their unique properties. Nanoparticles ...
Nanoparticles have different analytical requirements than conventional chemicals, for which chemical composition and concentration are sufficient metrics. Nanoparticles have other physical properties that must be measured for a complete description, such as size, shape, surface properties, crystallinity, and dispersion state. Additionally ...
The application potential of nanoparticles in catalysis ranges from fuel cell to catalytic converters and photocatalytic devices. Catalysis is also important for the production of chemicals. For example, nanoparticles with a distinct chemical surrounding , or specific optical properties. [citation needed]
TiO 2 nanoparticles have photocatalytic activity [6]: 82 [7] It is n-type semiconductor and its band gap between the valence and the conductivity bands is wider than of many other substances. The photocatalysis of TiO 2 is a complex function of the physical characteristics of the particles.
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Nanoparticle shape impacts the melting point of a nanoparticle. Facets, edges and deviations from a perfect sphere all change the magnitude of melting point depression. [ 16 ] These shape changes affect the surface -to-volume ratio, which affects the cohesive energy and thermal properties of a nanostructure.