Vibrational Properties of Si Microclusters and Comparison to the Amorphous Material

1990 ◽  
Vol 206 ◽  
Author(s):  
Joseph L. Feldman ◽  
Efthimios Kaxiras
Keyword(s):  
Density Of States ◽  
Interatomic Potential ◽  
Amorphous Material ◽  
Vibrational Properties ◽  
Dynamical Matrix ◽  
Vibrational Density Of States ◽  
Remarkable Similarity ◽  
Surface Reconstructions ◽  
Amorphous Si ◽  
Vibrational Density

ABSTRACTThe lattice vibrational properties of two clusters of Si atoms are studied using the Stillinger-Weber phenomenological interatomic potential to calculate the dynamical matrix. The clusters contain 33 and 45 atoms, and their structure was postulated from considerations of surface reconstructions in analogy to crystalline Si surfaces. A remarkable similarity to the vibrational density of states of amorphous Si is demonstrated especially for the 45 atom cluster.

Vibrational Properties of Silver Nanoparticles and Nanocrystalline Materials

2000 ◽  
Vol 634 ◽  
Author(s):  
Ralf Meyer
Keyword(s):  
Density Of States ◽  
Nanocrystalline Materials ◽  
Nanocrystalline Material ◽  
Vibrational Properties ◽  
Pressureless Sintering ◽  
Silver Particles ◽  
Vibrational Density Of States ◽  
Cluster A ◽  
Dynamics Simulations ◽  
Vibrational Density

ABSTRACTThe vibrational density of states of silver in the form of a free cluster, a single crystal and a nanocrystalline material has been calculated with the help of molecular-dynamics simulations. The model for the nanocrystalline material was derived by the simulation of pressureless sintering of nanometer sized silver particles. The results show a broadening of the vibrational density of states in the case of the cluster and the nanocrystalline material.

Vibrational properties and specific heat of core–shell Ag–Au icosahedral nanoparticles

2015 ◽  
Vol 17 (42) ◽  
pp. 28054-28059 ◽  
Author(s):  
Huziel E. Sauceda ◽  
Ignacio L. Garzón
Keyword(s):  
Thermal Properties ◽  
Low Temperature ◽  
Specific Heat ◽  
Metal Nanoparticles ◽  
Density Of States ◽  
Geometrical Structure ◽  
Vibrational Properties ◽  
Core Shell ◽  
Vibrational Density Of States ◽  
Vibrational Density

The vibrational density of states (VDOS) of metal nanoparticles can be a fingerprint of their geometrical structure and determine their low-temperature thermal properties.

scholarly journals Excess vibrational density of states and the brittle to ductile transition in crystalline and amorphous solids

Soft Matter ◽  
2016 ◽  
Vol 12 (4) ◽  
pp. 1210-1218 ◽  
Author(s):  
Jeetu S. Babu ◽  
Chandana Mondal ◽  
Surajit Sengupta ◽  
Smarajit Karmakar
Keyword(s):  
Mechanical Loading ◽  
Density Of States ◽  
Amorphous Solids ◽  
Vibrational Density Of States ◽  
Brittle To Ductile Transition ◽  
Active Research ◽  
Vibrational Density

The conditions which determine whether a material behaves in a brittle or ductile fashion on mechanical loading are still elusive and comprise a topic of active research among materials physicists and engineers.

Low-energy vibrational density of states of plasticized poly(methyl methacrylate)

2002 ◽  
Vol 82 (5) ◽  
pp. 533-539 ◽  
Author(s):  
L. Saviot ◽  
E. Duval ◽  
J. F. Jal ◽  
A. J. Dianoux ◽  
V. A. Bershtein ◽  
...  
Keyword(s):  
Methyl Methacrylate ◽  
Density Of States ◽  
Low Energy ◽  
Vibrational Density Of States ◽  
Poly Methyl Methacrylate ◽  
Vibrational Density

scholarly journals Enhancement of Interfacial Thermal Conductance of SiC by Overlapped Carbon Nanotubes and Intertube Atoms

2017 ◽  
Vol 139 (5) ◽  
Author(s):  
Chengcheng Deng ◽  
Xiaoxiang Yu ◽  
Xiaoming Huang ◽  
Nuo Yang
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Silicon Carbide ◽  
Density Of States ◽  
Probability Distributions ◽  
Thermal Conductance ◽  
Nonequilibrium Molecular Dynamics ◽  
Vibrational Density Of States ◽  
Interfacial Thermal Conductance ◽  
Vibrational Density

A new way was proposed to enhance the interfacial thermal conductance (ITC) of silicon carbide (SiC) composite through the overlapped carbon nanotubes (CNTs) and intertube atoms. By nonequilibrium molecular dynamics (NEMD) simulations, the dependence of ITC on both the number of intertube atoms and the temperature was studied. It is indicated that the ITC can be significantly enhanced by adding intertube atoms and finally becomes saturated with the increase of the number of intertube atoms. And the mechanism is discussed by analyzing the probability distributions of atomic forces and vibrational density of states (VDOS). This work may provide some guidance on enhancing the ITC of CNT-based composites.

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