Microkinetics Deposition Analysis Panel

Microkinetics Deposition Analysis Panel Features

Import from Workspace button

Click to import the structure from the Workspace. There must be only one entry included in the Workspace and it must be an output from the Microkinetic Modeling Panel. Some values in the panel are imported from the structure. The entry name is displayed to the right.

Microkinetics deposition analysis table

Analyze the deposition process for a target material. The identification of species and their corresponding properties is described in the table below. Each column in the microkinetics deposition analysis table is populated via one of three ways:

• Import—Values are populated using the Import from Workspace button. These values are based upon results from the Microkinetic Modeling Panel.

• Input— Values must be specified by the user. If the import data is changed, these values are retained for species that match the previous import and reset for those that don't.

• Output—Values are populated using the Calculate target properties button.

Name		Description		Type
Species		Lists all gases and bulk solids from the microkinetic modeling calculation as rows. An additional row is added for the target material which is determined using the reaction coefficients defined in the Target definition column. The target material is the bulk solid that the user is interested in depositing or etching via gas-induced surface chemistry.		Import
Turnover in period (site-1)		The cumulative turnover of the species over the specified time period is reported from the results of the microkinetic modeling calculation. The turnover for the target material (Ntarget) is determined using the turnover of each species and the reaction coefficients defined in the Target definition column.		Import
Mass change in period (ng/cm2)		The mass change in period for each species is calculated from the turnover and Avogadro’s constant (NA) as follows:		Import
Target definition		Input stoichiometric reaction coefficients of a balanced chemical equation that has the deposited material as solid product. The reaction coefficients for the species in the table can be negative for reactants or positive for products. The target material is populated after clicking the Calculate target properties button.		Input
Thickness increment in period (Å)		The thickness increment is calculated for the target material using the turnover of the target (Ntarget) and the specified Target lattice constant.		Output
Stoichiometry in period		The stoichiometry of the gas or bulk species is determined using the turnover of each species and the reaction coefficients and is reported as a percentage.		Output
Status		A gas with a reaction coefficient < 0 is labeled as an Inlet gas; a gas with a reaction coefficient > 0 is labeled is a By-product gas; a solid with a reaction coefficient < 0 is labeled as Etched; a solid with a reaction coefficient > 0 is labeled as Deposited; and anything with a reaction coefficient = 0 is left blank.		Output
Dose of gas in period (Langmuir)		The dose of gas in period is calculated for inlet gases using the pressure, pgas(t), from the output of the microkinetic modeling calculation:		Output
Flux of gas incident per surface site ((site*s)-1)		The flux of gas incident per surface site is calculated for inlet gases using the pressure, pgas(t), from the output of the microkinetic modeling calculation as follows: where ᴪgas(t) is the instantaneous momentum flux given by .		Output
Sticking coefficient s_0		The sticking coefficient is calculated as follows: where Ntarget is the turnover of the target material, Rgas(t) is the sum of coverages of sites for adsorption reactions with this inlet gas and pgas(t) and ᴪgas(t) are defined above.		Output

Start time text box

The start time of the simulation time for analysis is initially specified from the imported structure. Edit the time period to be analyzed by changing this value.

End time text box

The end time of the simulation time for analysis is initially specified from the imported structure. Edit the time period to be analyzed by changing this value.

Maximum time text

Displays the maximum simulation time as determined from the imported structure. Only present when a structure is imported. Noneditable.

Target lattice constant text box

Specify the inter-layer spacing that is used to calculate the thickness increment.

Scale reactive coverages by stoichiometry option

Select this option to scale reactive coverages based upon their specified stoichiometry.

Enforce target-reaction element balance option

Select this option to ensure the chemical equation specified in the Target definition column is balanced prior to populating analysis results.

Coverages warning text

Displays a warning when there are coverages less than zero or greater than one present in the deposition analysis. Sticking coefficients in this case are calculated using 0 for a coverage less than 0 and 1 for a coverage greater than 1. Noneditable.

Calculate target properties button

Click to analyze the deposition process for a target material and populate the microkinetics deposition analysis table with data.

Status bar

Use the Reset button to reset the panel to its default settings and clear any data from the panel. If the panel has a Job toolbar, you can also reset the panel from the Settings button menu.

If you can submit a job from the panel, the status bar displays information about the current job settings and status for the panel. The settings include the job name, task name and task settings (if any), number of subjobs (if any) and the host name and job incorporation setting. The job status can include messages about job start, job completion and incorporation.

The status bar also contains the Help button , which opens an option menu with choices to open the help topic for the panel (Documentation), launch Maestro Assistant, or if available, choose from an option menu of Tutorials. If the panel is used by one or more tutorials, hover over the Tutorials option to display a list of tutorials. Choosing a tutorial opens the tutorial topic.

Related Topics

• Microkinetic Modeling Panel
• Microkinetic Modeling Viewer Panel