Dynamic Controls¶

Get Kmc Data Controls¶

Used to compute data from the database in Monte Carlo

Input	Output
Database	Data

Parameter Configuration:

jobs_id                                       Input jobs_id

Get Data                                      Get the corresponding data from the database and pass it down

Get delta E Controls¶

Used to get deltaE data from the datacase

Input	Output
Database	Data E

Parameter Configuration:

jobs_id                                       Input jobs_id

Get delta E                                   Get the corresponding data from the database and pass it down

Lattice Controls¶

Used to get lattice constant information from local files for multi-deficiency Monte Carlo calculations

Input	Output
None	Lattice

Parameter Configuration:

File path                                     The file path

Apply automatically                           Read the file information automatically and pass data down

Kmc Run Li WF Controls¶

Used to configure workflow parameters for different lattice occupancy probability statistics in Monte Carlo complex compounds and run the calculation

Input		Output
Data E	Lattice	Workflow List

Parameter Configuration:

Site-energy Diff                              Site-energy difference

Temperature                                   Temperature(K)

Diffusive Atoms                               Diffusive atoms

Barrier                                       Resistance

Lattice                                       Lattice constant

Run                                           Run calculations, data results

Samples

Kmc Run Graphite WF Controls¶

Used to configure workflow parameters for the diffusion of vacancies in a Monte Carlo honeycomb material and run the calculation

Input	Output
Data E	Workflow List

Parameter Configuration:

Site-energy Diff                              Site-energy difference

Temperature                                   Temperature(K)

Diffusive Atoms                               Diffusive atoms

Barrier                                       Resistance

Samples

Run                                           Run calculations, data results

Kmc Plot Controls¶

Used to draw Monte Carlo data images

Input	Output
Data E	Workflow List

No Parameter