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Hi @jpudell I was actually also thinking a bit about that issue when starting to include also If you like to stick with the Best Daniel |
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Hi @jpudell I was actually also thinking a bit about that issue when starting to include also If you like to stick with the Best Daniel |
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The simulation of a sample consisting of amorphous and crystalline layers works quite well for the heat and strain simulation.
But to get get the diffraction pattern of this sample is a problem: all layers must be defined as crystalline, but this leads to Bragg peaks of the "amorphous layer" which interfere with the signal of the crystalline layers. To suppress this, an option is to replace the atom with light atom like He; but this again leads to problems in the strain simulation.
I propose to add an option to set the structure factor for this layer to 0.
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