Molecular dynamics study of particle–particle collisions between hydrogen-passivated silicon nanoparticles

2004 ◽  
Vol 69 (3) ◽  
Author(s):  
T. Hawa ◽  
M. R. Zachariah
Keyword(s):  
Molecular Dynamics ◽  
Silicon Nanoparticles ◽  
Particle Collisions ◽  
Passivated Silicon

Size Dependence of the Melting Point of Silicon Nanoparticles: Molecular Dynamics and Thermodynamic Simulation

2019 ◽  
Vol 53 (7) ◽  
pp. 947-953 ◽  
Author(s):  
I. V. Talyzin ◽  
M. V. Samsonov ◽  
V. M. Samsonov ◽  
M. Yu. Pushkar ◽  
V. V. Dronnikov
Keyword(s):  
Molecular Dynamics ◽  
Melting Point ◽  
Silicon Nanoparticles ◽  
Size Dependence ◽  
Thermodynamic Simulation

Hydrogen-assisted spark discharge generation of highly crystalline and surface-passivated silicon nanoparticles

2017 ◽  
Vol 114 ◽  
pp. 139-145 ◽  
Author(s):  
Dongjoon Lee ◽  
Kiwoong Lee ◽  
Dae Seong Kim ◽  
Jong-Kwon Lee ◽  
Sei Jin Park ◽  
...  
Keyword(s):  
Silicon Nanoparticles ◽  
Spark Discharge ◽  
Passivated Silicon

Properties of Silicon Nanoparticles:  A Molecular Dynamics Study

1996 ◽  
Vol 100 (36) ◽  
pp. 14856-14864 ◽  
Author(s):  
Michael R. Zachariah ◽  
Michael J. Carrier ◽  
Estela Blaisten-Barojas
Keyword(s):  
Molecular Dynamics ◽  
Silicon Nanoparticles

Effect of Hydrogen Passivation on the Thermal Conductivity of Nanoporous Crystalline Silicon: A Molecular Dynamics Study

2012 ◽  
Author(s):  
Jin Fang ◽  
Laurent Pilon
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Phonon Scattering ◽  
Crystalline Silicon ◽  
Scaling Law ◽  
Interfacial Area ◽  
Md Simulations ◽  
Hydrogen Passivation ◽  
Interfacial Area Concentration ◽  
Passivated Silicon

Effect of hydrogen passivation on thermal conductivity of nanoporous crystalline silicon was investigated using equilibrium molecular dynamics (MD) simulations from 500 to 1000 K. The porosity varied from 8% to 38% while the pore diameter ranged from 1.74 to 2.93 nm. Hydrogen passivation of the pore surface was found to reduce thermal conductivity by about 20% at 500 K due to enhanced phonon scattering by the passivated atoms at the nanopore surface. The effect of passivation diminished with increasing temperature. In fact, the phonon density of states at high temperatures was similar for both passivated and unpassivated silicon atoms. Finally, the thermal conductivity k was found to be linearly proportional to (1–1.5fv)/(Ai/4) where fv is the porosity and Ai is the pore interfacial area concentration. This scaling law was previously established for un-passivated silicon using non-equilibrium MD simulations.

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