
The effects of surface relaxation in the powder diffraction pattern from metal nanoparticles are discussed. Molecular dynamics simulations are carried out to simulate the structure of a series of free-standing Al and Cu nanoparticles of different sizes and stabilization temperatures. The diffraction patterns found from considering the average atomic positions are then modeled, assuming different forms for the effects of the surface strain field. The modeling finds that the strain field in the simulated Al particles does not result in an appreciable effect on the peak broadening. However, that of the Cu particles results in anisotropic peak broadening, which is not able to be properly accounted for by the existing isotropic surface strain models.
Models, Molecular, Models, Chemical, Elastic Modulus, Computer Simulation, Stress, Mechanical, Particle Size, Nanostructures
Models, Molecular, Models, Chemical, Elastic Modulus, Computer Simulation, Stress, Mechanical, Particle Size, Nanostructures
| selected citations These citations are derived from selected sources. This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | 12 | |
| popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network. | Average | |
| influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | Average | |
| impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network. | Top 10% |
