SPM Simulator solver selection


You have to select a solver for your purpose in this page.
The solver names and the features of the solvers are vertically listed below.
Click a solver name for your purpose.
If you can't determine which solver to select, click the link in the bottom of this page.
Clues are offered for selecting a solver.

SPM Simulator is aggregate of 8 solvers below. It is important to select a solver for your purpose.

Analyzer

Experimental Image Data Processor Using this solver, it is possible to load a data file output from SPM instrument and to perform various image processing to the experimental image data.
It also is possible to compare a simulated SPM image and an experimental data image, to verify the result of the simulation, and to guess a precise shape of the sample.

GeoAFM

Geometrical Mutual AFM Simulator We can guess one of the three data, 3-dimensional shape data of a tip, shape data of a sample surface, and measured AFM image data, from two others at very high speed.
Each data is mutually predicted by purely geometrical calculation.
So interactions such as Van der Waals force between a tip and a sample or deformation of the tip and that of the sample is not taken into account.

FemAFM

Elastic Body AFM Simulator An AFM image for soft material is predicted.
AFM is simulated with an approximation of a tip and a sample by the model of continuout elastic medium.
Deformation of a tip and a sample is reproduced by solving elastic equations numerically under the assumption that the tip and the sample are continuous elastic mediums of a single material respectively and Van der Waals force interacts between them.
It is also possible to simulate contact between a tip and a sample with viscoelasticity and to calculate a force curve.

LiqAFM

Soft Material Liquid AFM Simulator AFM experiment under the liquid environment is simulated.
It is possible to reproduce vibration of a cantilever in liquid and to calculate resonance frequency.
It is also possible to simulate contact between a tip and a sample with viscoelasticity and to calculate a force curve.

CG,
CG-RISM

geometry optimizing AFM image simulator Using the solver, an AFM image is calculated by searching an energetically stable atom arrangement of a molecule and determining the structure of the molecule.
It is possible to calculate an AFM frequency shift image of a molecular scale in a vacuum/ in liquid.
It is possible to calculate an energy curve and a force curve of a tip-sample system in a vacuum/ in liquid.
It is possible to calculate non contact AFM image either in the mode tip's height is constant or in the mode applied force on a tip is constant.

MD

molecular dynamics AFM image simulator An AFM image and a force curve is calculated by solving Newton's equations of motion for all atoms in molecules and predicting the change of the molecular structure..
It is possible to calculate an AFM image in the mode tip's height is constant.
It is also possible to simulate geometry optimizaton.

DFTB

Quantum Mechanical SPM Simulator Simulation is performed based on the quantum mechanical method.
AFM, STM, STS, and KPFM are simulated in an angstrom order.
Density Functional based Tight Binding method is adopted.
Calculation time is greatly reduced in comparison with that of ab initio calculation.
It is also possible to calculate an AFM image for an organic compound upon an inorganic material surface or upon a metal substrate.

SetModel

Modeling Tool Shape data of a surface of a inorganic crystal is generated by this solver.
The solver is useful to create data of a surface of a crystal and that of a metal substrate.
It is possible to create shape data of a sample consisting of an inorganic compound and an organic compound by using this solver and freeware ChemSketch.

If you can't determine which solver to select from the 8 solvers above, click this link.




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