Step 2: Creating
The first dialog box will be the EDIT LAYERS DIALOG. 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 in Step 3.
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).
To change the thickness of the layers simply click on the current thickness (2) and type in the new thickness.
You can copy and paste layers by selecting them and using the EDIT menu (8).
When your sample is completed
you can press Next--> (7) to move on
to the next dialog MICROSCOPE AND SIMULATION PROPERTIES which is explained
in Step 4.
Step 3: Editting
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.
To reset values to their automatically calculated states, just uncheck the boxes USER DEFINED DESITY AND DISTRIBUTION (7).
Repeat Step 3 for each layer and then move on to Step 4.
Step 4: Setting
up the Micoscope and Simulation
This dialog lets you select the parameters of your simulation.
First, enter the energy used for your simulation (1). The first box is where you set your starting energy, the second is the energy where you want to stop the simulation and the third box contains the step in KeV between each simulation. If the ending energy is smaller or equal to the starting, then the step will be ignored and only one simulation at the starting energy will be done.
Second, enter the number of electrons you want to simulate (2). The bigger the number, the better the results but the longer the simulation.
Third is the beam parameters (3), the first box represents the angle the electrons will be fired into the sample and the second box contains the width of the beam.
Fourth, define the angle of your X-Ray detector (4) with the positive X-axis of the sample being 0 and moving counterclockwise towards the negative X-axis being 180.
Finaly, set the limits of your scan (5). The sample is centered at 0 nm. The step is in nanometers. If you do not wish to scan your sample, uncheck the box SCAN BEAM TO CREATE AN IMAGE. The FROM box then contains the position of the beam on the sample.
At this point you can already press FINISH (7) and move on to Step 8, but you can continue through the rest of the options by pressing NEXT--> (6) and moving on to Step 5.
Step 5: Selecting
Here is where you set up your distribution.
Check the box for each distribution you wish to see after calculations (2).
Enter the number of points you want each distribution to have (1).
Move on to the next step (3).
Step 7: Options
(1): Conserving the trajectories takes up a lot of memory. Conserving NONE will not save any trajectories to memory which means that there is no way to view the trajectories after they have been calculated. DISPLAYED ONLY will only keep the trajectories that have been displayed on the screen, this option is good if you want to see the trajectories and change some of their viewing parameters and ALL is used if you want to keep all the trajectories in memory, display a selected few during calculation but after calculations it will display all of them.
(2): Number of electron trajectories to display on the screen during calculations.
(3): Minimal time between backups which are used to continue simulation in case of accidental termination of the simulation.
(4): The minimal energy, in KeV, at which a trajectory is terminated.
(5): If checked the trajectories will be displayed at regular intervals during the simulation, otherwise the first trajectories are displayed.
(6): Press FINISH when your simulation is ready to be calculated on go to Step 8.