In this dialog you will create the layers of your sample.

To add a layer, you simply press the ADD LAYER BUTTON (5). If you add too many layers, you can remove them by selecting them and pressing the REMOVE SELECTED LAYER BUTTON (6) or by pressing DEL on the keyboard.

The NAME and CHEMICAL COMPOSITION of each layer can be defined by double-clicking the names of the layers (1). This will bring up de LAYER CHEMICAL COMPOSITION DIALOG which is described further down on this page.

If you wish to define the last layer as a substrate, make sure the USE SUBSTRATE CHECKBOX (3) is checked.

If your sample is multiple horizontal layers, select MULTI-LAYER (4), else if you sample is composed of vertical layers select GRAIN BOUNDARY (4). If GRAIN BOUNDARY is selected and you are using substrates, the first and last layer will be defined as substrates and will sandwich the rest of the sample.

To change the thickness of the layers simply click on the current thickness (2), type in the new thickness and press enter.

You can copy and paste layers by selecting them and using the EDIT menu (7).

You can also save you sample, from the file menu (7) to a file of extension .sam for future reusability.

After double-clicking the name of your layers, the LAYER CHEMICAL COMPOSITION dialog will pop-up.
This dialog box will let you give a name and a chemical composition to a layer.

Start by entering the chemical composition in the COMPOSITION EDIT BOX (1). The elements must be written in Uppercase for the first letter and lowercase for the other, example (Fe2O3).
Then give the layer a name (2), if no name is given, the composition will be chosen as the name.
The density (4) will automatically be calculated from the atomic weight and fractions, this calculation does not take into account the structure of the material and you may want to change the density to it's actual value.
If you wish to change the atomic fractions or weight fractions manualy then simply click (5) on the value you wish to change. To autocomplete an element as the remainder of the composition simply press the AUTO-COMPLETE ELEMENT FRACTIONS BUTTON (6) after selecting the element.

To save an element for future use, give it a name and press ADD TO LIBRARY BUTTON (3). This will store the information so that next time you enter a name for a layer and it exists in the library it will set the layer to the saved layer. If you wish to edit the library file, simply open the file UserLayers.txt in a text editor.

To reset values to their automatically calculated states, just uncheck the boxes USER DEFINED DESITY AND DISTRIBUTION (7).

Simulation Sample Definition