Molecular dynamics simulation of the aggregation of the core-recognition motif of the islet amyloid polypeptide in explicit water

2005 ◽  
Vol 59 (3) ◽  
pp. 519-527 ◽  
Author(s):  
Giorgio Colombo ◽  
Isabella Daidone ◽  
Ehud Gazit ◽  
Andrea Amadei ◽  
Alfredo Di Nola
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Islet Amyloid Polypeptide ◽  
Dynamics Simulation ◽  
Islet Amyloid ◽  
The Core ◽  
Recognition Motif ◽  
Explicit Water

Mechanical properties of Ge/Si core-shell nanowires under a uniaxial tension

2006 ◽  
Vol 958 ◽  
Author(s):  
Y. Yano ◽  
T. Nakajima ◽  
K. Shintani
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Single Atom ◽  
Core Shell ◽  
The Core ◽  
Young’S Moduli ◽  
Vegard’S Law ◽  
Shell Nanowires

ABSTRACTThe mechanical properties of Si/Ge core-shell nanowires under a unixial tension are studied using molecular-dynamics simulation. The effects of anisotropy and the fraction of the core atoms on the Young's moduli of the core-shell nanowires are examined. The values of their Young's moduli deviate from those calculated using Vegard's law. Single atom chains are formed at the final stages of elongation of the nanowires.

Effect of Defects on Oscillatory Behaviors of Double-Walled Carbon Nanotube Oscillators

2011 ◽  
Vol 308-310 ◽  
pp. 584-588
Author(s):  
Jian Li
Keyword(s):  
Molecular Dynamics ◽  
Carbon Nanotube ◽  
Molecular Dynamics Simulation ◽  
Friction Force ◽  
Vacancy Defect ◽  
Defect Size ◽  
Dynamics Simulation ◽  
Vacancy Defects ◽  
The Core ◽  
Temperature Dependences

Molecular dynamics simulation is performed on the inter-tube friction force and energy dissipation of double-walled carbon nanotube oscillators with vacancy defects. It is found that there are vacancy defect-size and temperature dependences of the friction force between the inner tube and the defective outer tube. The original distance between the “hole” formed by the vacancy carbon atoms and the inserted end of the core has a significant influence on the oscillation profile.

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