Journal ArticleDOI
Low-frequency vibrational properties of nanocrystalline materials.
Reads0
Chats0
TLDR
It is found that the anomalous increase of the VDOS is mainly caused by the high number of grain-boundary atoms and that a power-law behavior of the low-frequency grain- boundary VDOS exists, which suggests a reduced dimensionality effect.Abstract:
The vibrational density of states (VDOS) of bulk nanocrystalline Ni and Cu (model) samples with grain diameters between 5 and 12 nm are derived from molecular-dynamics simulations. The results show an enhancement of the density of states at low and high energies. Because of large system sizes and a decomposition of the VDOS into grain and grain-boundary components, the low-frequency region can be investigated for the first time. It is found that the anomalous increase of the VDOS is mainly caused by the high number of grain-boundary atoms and that a power-law behavior of the low-frequency grain-boundary VDOS exists, which suggests a reduced dimensionality effect.read more
Citations
More filters
Journal ArticleDOI
Vibrational thermodynamics of materials
TL;DR: The literature on vibrational thermodynamics of materials is reviewed in this article, with a focus on metals and alloys, especially on the progress over the last decade in understanding differences in the vibrational entropy of different alloy phases and phase transformations.
Journal ArticleDOI
Raman spectroscopy of optical phonon confinement in nanostructured materials
TL;DR: In this paper, a review of the results on the Raman spectroscopic investigations of optical phonon confinement in nanocrystalline semiconductor and ceramic/dielectric materials, including those in selenium, cadmium sulphide, zinc oxide, thorium oxide, and nano-diamond, is presented.
Journal ArticleDOI
Vibrations and thermal transport in nanocrystalline silicon
TL;DR: In this paper, a combination of vibrational-mode analysis and molecular-dynamics simulations was used to study the effect of grain size on the nature of thermal vibrations, their localization, and their ability to carry heat in nanocrystalline silicon.
Journal ArticleDOI
Atomistic simulations of spherical indentations in nanocrystalline gold
TL;DR: In this article, an atomistic simulation of nanoindentation into model nc-Au for two samples with average grain diameters of 5 and 12 nm, and compare the results with a simulation for a single-crystal structure.
Journal ArticleDOI
Calculation of x-ray spectra for nanocrystalline materials
TL;DR: In this paper, two-theta x-ray diffraction profiles for multimillion atom computer generated nanocrystalline (nc) $\mathrm{Ni}$ systems are presented.
References
More filters