Interaction potential function for the deformation analysis of potassium dihydrogen phosphate using molecular dynamics simulation

2021 ◽  
Vol 187 ◽  
pp. 110122
Author(s):  
Shengyao Yang ◽  
Liangchi Zhang ◽  
Hongtao Xie ◽  
Weidong Liu
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Potential Function ◽  
Interaction Potential ◽  
Potassium Dihydrogen Phosphate ◽  
Dynamics Simulation ◽  
Deformation Analysis ◽  
Dihydrogen Phosphate ◽  
Potassium Dihydrogen

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.

scholarly journals Static and dynamic properties of decane/water microemulsions stabilized by cetylpyridinium chloride cationic surfactant and octanol cosurfactant

RSC Advances ◽  
2020 ◽  
Vol 10 (59) ◽  
pp. 36155-36163
Author(s):  
M. Lemaalem ◽  
R. Ahfir ◽  
A. Derouiche ◽  
M. Filali
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Physical Properties ◽  
Cationic Surfactant ◽  
Interaction Potential ◽  
Dynamic Properties ◽  
Effective Interaction ◽  
Cetylpyridinium Chloride ◽  
Dynamics Simulation

We report a molecular dynamics simulation using a proven effective interaction potential to study the physical properties of decane/water microemulsions.

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