Simulations – computersimulation.ch

Tensile strength of polymer

Organic molecules, such as polymers or biopolymers can partly cover enormous tensile strengths. In the shown example of a graphene nanoflake, which has been tested on tensile strength, it has been more than 250 times bigger than for steel!

This strong property shall be used in a composit material, to substantially change its properties compared to the pure material.
The strength of the molecule has its origin in the chemical bond. Material cracks do not open normally within molecules, but between molecules. Therefore the intermolecular forces are an important part of the models. It is possible, to check virtually polymers or its composits on the tensile strength without knowing the macroscopic material properties in advance.

Graphite Electrode Elastic Properties upon Li Intercalation

There is widespread interest in improving the performance and capacity of Li-ion batteries. Graphite is the standard anode material in these devices. As such, there is a critical need for an in-depth understanding of fundamental graphite properties at the varying operating conditions of a device.
First-principles calculations reveal a three-fold increase in the Young’s modulus of graphite as it is lithiated (C->LiC6). A linear expression is determined that describes the approximate stiffness of Li intercalated graphite as a function of loading which may lead to greatly improved continuum models of electrode deformation and failure.
http://www.materialsdesign.com/appnote/graphite-electrode-elastic-proper…

Let identify material properties in advance

Let identify material properties online now, before synthesis or production, simple and less expensive!

density in [kg/m³]
viscosity (shear viscosity) in [N·s/m²]
heat capacity in [kJ/mol/K]
thermal conductivity (assumption: isotropic) in [kJ/m/K/s]
diffusion coefficient in [cm²/s]
compressibility (isothermal) in [kJ/mol/l]
elasticity module in [kN/mm²]

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