scholarly journals Quantitative prediction of the position and orientation for an octahedral nanoparticle at liquid/liquid interfaces

Nanoscale ◽  
2017 ◽  
Vol 9 (31) ◽  
pp. 11239-11248 ◽  
Author(s):  
Wenxiong Shi ◽  
Yih Hong Lee ◽  
Xing Yi Ling ◽  
Shuzhou Li
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Theoretical Prediction ◽  
Dynamics Simulation ◽  
Quantitative Prediction ◽  
Water Interface ◽  
Liquid Interfaces ◽  
Simulation Results ◽  
Position And Orientation

The agreement of molecular dynamics simulation results and our theoretical prediction of Ag octahedral nanoparticles at a hexane/water interface.

The Study on Young's Modulus of Multilayered Cu/Ni Multilayered Nano Thin Films by Molecular Dynamics Simulation

2014 ◽  
Vol 513-517 ◽  
pp. 113-116
Author(s):  
Jen Ching Huang ◽  
Fu Jen Cheng ◽  
Chun Song Yang
Keyword(s):  
Thin Film ◽  
Thin Films ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Strain Rate ◽  
Young’S Modulus ◽  
Potential Function ◽  
Dynamics Simulation ◽  
System Temperature ◽  
Simulation Results

The Youngs modulus of multilayered nanothin films is an important property. This paper focused to investigate the Youngs Modulus of Multilayered Ni/Cu Multilayered nanoThin Films under different condition by Molecular Dynamics Simulation. The NVT ensemble and COMPASS potential function were employed in the simulation. The multilayered nanothin film contained the Ni and Cu thin films in sequence. From simulation results, it is found that the Youngs modulus of Cu/Ni multilayered nanothin film is different at different lattice orientations, temperatures and strain rate. After experiments, it can be found that the Youngs modulus of multilayered nanothin film in the plane (100) is highest. As thickness of the thin film and system temperature rises, Youngs modulus of multilayered nanothin film is reduced instead. And, the strain rate increases, the Youngs modulus of Cu/Ni multilayered nanothin film will also increase.

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