Ferroelectric soft mode and relaxation behavior in a molecular-dynamics simulation ofKNbO3andKTaO3

1997 ◽  
Vol 56 (2) ◽  
pp. 566-571 ◽  
Author(s):  
M. Sepliarsky ◽  
M. G. Stachiotti ◽  
R. L. Migoni
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Soft Mode ◽  
Relaxation Behavior ◽  
Dynamics Simulation

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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