Molecular dynamics simulation on interfacial mechanical properties of polymer nanocomposites with wrinkled graphene

2015 ◽  
Vol 108 ◽  
pp. 160-167 ◽  
Author(s):  
Feng Liu ◽  
Ning Hu ◽  
Huiming Ning ◽  
Yaolu Liu ◽  
Yuan Li ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Polymer Nanocomposites ◽  
Dynamics Simulation

Quantification of the Interface Interactions in Polymer Nanocomposites

2010 ◽  
Vol 654-656 ◽  
pp. 2608-2611
Author(s):  
Qing Hua Zeng ◽  
Wen Xu ◽  
Ai Bing Yu ◽  
Donald R. Paul
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Polymer Nanocomposites ◽  
Load Transfer ◽  
Interaction Strength ◽  
Dynamics Simulation ◽  
Multiphase Materials ◽  
Reinforced Polymer ◽  
Interfacial Characteristics

Interfaces are important for many properties and applications of multiphase materials. This is particular true for particle-reinforced polymer composites, where the interfacial characteristics between particle and polymer play a crucial role in load transfer and mechanical properties. In polymer nanocomposites, the adhesion strength between particle and polymer matrix is a major factor in determining their mechanical properties. In this work, we present our recent study towards the quantification of the interaction strength at the interface of clay-based polymer nanocomposites by molecular dynamics simulation.

Molecular Dynamics Simulation of Crack Initiation of Aluminum under Tensile Deformation

2011 ◽  
Vol 378-379 ◽  
pp. 7-10
Author(s):  
Gui Xue Bian ◽  
Yue Liang Chen ◽  
Jian Jun Hu ◽  
Li Xu
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Elastic Constants ◽  
Tensile Deformation ◽  
Crack Nucleation ◽  
Tensile Load ◽  
Dynamics Simulation ◽  
Metal Aluminum ◽  
Impurity Metal

Molecular dynamics simulation was used to simulate the tension process of purity and containing impurity metal aluminum. Elastic constants of purity and containing impurity metal aluminum were calculated, and the effects of impurity on the elastic constants were also studied. The results show that O-Al bond and Al-Al bond near oxygen atoms could be the sites of crack nucleation or growth under tensile load, the method can be extended to research mechanical properties of other metals and alloys structures.

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