Interaction potential for silicon carbide: A molecular dynamics study of elastic constants and vibrational density of states for crystalline and amorphous silicon carbide

2007 ◽  
Vol 101 (10) ◽  
pp. 103515 ◽  
Author(s):  
Priya Vashishta ◽  
Rajiv K. Kalia ◽  
Aiichiro Nakano ◽  
José Pedro Rino
Keyword(s):  
Molecular Dynamics ◽  
Silicon Carbide ◽  
Amorphous Silicon ◽  
Density Of States ◽  
Elastic Constants ◽  
Interaction Potential ◽  
Vibrational Density Of States ◽  
Amorphous Silicon Carbide ◽  
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.

scholarly journals An Analytical Study on the Local Electronic Density of States of the Valence Bands in Amorphous Silicon Carbide

1998 ◽  
Vol 21 (3) ◽  
pp. 217-219 ◽  
Author(s):  
M. A. Grado-Caffaro ◽  
M. Grado-Caffaro
Keyword(s):  
Silicon Carbide ◽  
Amorphous Silicon ◽  
Valence Band ◽  
Density Of States ◽  
Analytical Study ◽  
Electronic Density ◽  
Amorphous Silicon Carbide ◽  
Electronic Density Of States ◽  
Valence Bands ◽  
Hybrid Orbitals

A formulation for the energy-averaged local valence band density of states of amorphous silicon carbide is derived. To this end,sp3-type hybrid orbitals are employed.

Molecular Dynamics Analysis of Structure and Intrinsic Stress in Amorphous Silicon Carbide Film with Deposition Process Parameters

2004 ◽  
Vol 449-452 ◽  
pp. 97-100
Author(s):  
Ju Young Kim ◽  
Baik Woo Lee ◽  
Ho Seok Nam ◽  
Dong Il Kwon
Keyword(s):  
Molecular Dynamics ◽  
Silicon Carbide ◽  
Amorphous Silicon ◽  
Process Parameters ◽  
Deposition Process ◽  
Intrinsic Stress ◽  
Amorphous Silicon Carbide ◽  
Silicon Carbide Film ◽  
Dynamics Simulations ◽  
Sic Films

Amorphous silicon carbide (a-SiC) films were deposited using molecular dynamics simulations employing the Tersoff potential. The structure and intrinsic stress of a-SiC films changed dramatically with changes in such principal deposition process parameters as substrate temperature and incident energy. Changes in structure and intrinsic stress with deposition process parameters were analyzed.

A molecular dynamics study of nanoindentation of amorphous silicon carbide

2007 ◽  
Vol 102 (2) ◽  
pp. 023509 ◽  
Author(s):  
Izabela Szlufarska ◽  
Rajiv K. Kalia ◽  
Aiichiro Nakano ◽  
Priya Vashishta
Keyword(s):  
Molecular Dynamics ◽  
Silicon Carbide ◽  
Amorphous Silicon ◽  
Amorphous Silicon Carbide

Vibrational density of states in silicon carbide nanoparticles: experiments and numerical simulations

2005 ◽  
Vol 17 (33) ◽  
pp. 5101-5110 ◽  
Author(s):  
M Makowska-Janusik ◽  
A Kassiba ◽  
J Bouclé ◽  
J-F Bardeau ◽  
S Kodjikian ◽  
...  
Keyword(s):  
Silicon Carbide ◽  
Numerical Simulations ◽  
Density Of States ◽  
Vibrational Density Of States ◽  
Silicon Carbide Nanoparticles ◽  
Vibrational Density

Vibrational Stretching Modes of the Si-H and Si-D Bonds in Amorphous Silicon Nitride

2001 ◽  
Vol 664 ◽  
Author(s):  
Shu-Ya Lin
Keyword(s):  
Silicon Nitride ◽  
Amorphous Silicon ◽  
Density Of States ◽  
Vibrational Density Of States ◽  
Amorphous Silicon Nitride ◽  
Effective Masses ◽  
Bond Stretching ◽  
The Difference ◽  
Vibrational Density

ABSTRACTThe vibrational density of states for the SiH(D) and SiH2(D2) groups in amorphous silicon nitride are calculated. The Si-H(D) bond-stretching modes of the SiH2(D2) groups are found to split, with the Si-D bond-stretching mode having larger splitting. The difference between the Si-D bond-stretching frequency of the SiD group and the Si-D asymmetrical stretching frequency of the SiD2 group has about the same value as that of the Si-H bonds. The differences in the effective masses of the Si-H and Si-D bonds and the degrees of the bond-stretching splitting of the SiH2 and SiD2 groups have compensating effects.

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