Choosing a type of a sample material
Data processing
Characteristic length Classical theory or quantum theory? Geometry optimizing or molecular dynamics? Finishing the solver selection

SPM simulator: organic compounds (011)

In this page, we specify more details for the simulation of the classical theory in order to decide which solver you should use.
We prepare the following two solvers:
The first one is the geometry optimizing AFM image simulator.
It examines structural relaxation of the tip and the sample and transition towards a stable state during the SPM experiments.
Using the geometry optimizing AFM image simulator, you can simulate frequency shift images of the non-contact AFM.
The second one is the molecular dynamics AFM image simulator.
It examines dynamics of each atom one by one with solving Newton's equations of motion for all atoms in molecules.
Using the molecular dynamics AFM image simulator, you can calculate the force curve (a force-distance plot generated by dynamics of the tip).

In this page, we suppose that the sample material is an organic compound.
However, we can apply a method discussed here to high polymers, soft matters, metals, semiconductors, and non-organic compounds, as well.

Which do you choose from the following two methods?

The geometry optimizing AFM image simulator

Estimating the molecular configuration that is stabel with respect to the total energy, you can optimize the structure of molecules and obtain their AFM image.

The molecular dynamics AFM image simulator

Solving Newton's equations of motion for all atoms in molecules, you can examine deformation of structure of molecules and obtain their AFM image.

If you cannot find a simulation that you want to perform from the above list, please contact us by e-mail.
When you send an e-mail to us, a string of characters is put into a subject of the e-mail automatically.
This string tells us at which stage of the simulation you have a trouble.




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