Structural and dynamic properties of vitreous and crystalline barium disilicate: molecular dynamics simulation and Raman scattering experiments

2016 ◽  
Vol 49 (43) ◽  
pp. 435301 ◽  
Author(s):  
A M Rodrigues ◽  
J P Rino ◽  
P S Pizani ◽  
E D Zanotto
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Raman Scattering ◽  
Dynamic Properties ◽  
Dynamics Simulation

scholarly journals Influence on ferric chloride aqueous solution caused by external electrostatic field: a molecular dynamics simulation study

RSC Advances ◽  
2018 ◽  
Vol 8 (68) ◽  
pp. 38706-38714 ◽  
Author(s):  
Shi Zhibo ◽  
Li Liyi ◽  
Han Yong ◽  
Bai Jie
Keyword(s):  
Molecular Dynamics ◽  
Aqueous Solution ◽  
Molecular Dynamics Simulation ◽  
Ferric Chloride ◽  
Electrostatic Field ◽  
Simulation Study ◽  
Dynamic Properties ◽  
Md Simulations ◽  
Dynamics Simulation ◽  
Electrostatic Fields

A detailed analysis of structural properties and dynamic properties of ferric chloride aqueous solution under external electrostatic fields with different intensities was performed by molecular dynamics (MD) simulations.

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.

Conformational and Dynamic Properties of Polymer Loops and Their Mixtures at an Impenetrable Interface

1996 ◽  
Vol 463 ◽  
Author(s):  
H. S. Gulati ◽  
D. C. Driscoll ◽  
R. L. Jones ◽  
R. J. Spontak ◽  
C. K. Hall
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamic Properties ◽  
Relaxation Behavior ◽  
Dynamics Simulation ◽  
Dynamic Relaxation ◽  
Conformational Properties ◽  
Fluctuation Method ◽  
Bond Fluctuation ◽  
The Individual

ABSTRACTIn this study we investigate the equilibrium conformational properties and dynamic relaxation behavior of polymer loops grafted at an interface using the discontinuous molecular dynamics simulation technique. Differences and similarities between the structural and dynamic properties of polymer loops and tails are identified. The conformational properties of mixtures of polymers loops and tails are also studied using the bond-fluctuation method. The effect of mixture composition on the conformational properties of the individual components in the mixture is discussed.

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