Fast method for reactor and feature scale coupling in ald and cvd

A method for simulating reactor-scale ALD, comprising

• generating a look-up table for feature-scale values;
• applying a feature-scale model having a plurality of time-steps;
• for each of the plurality of time steps, identifying a plurality of surface element;
• for each plurality of surface elements corresponding to each of the plurality of time steps, determining a total precursor exposure and querying the look-up table based upon the determined total precursor exposure to determine a reaction probability;
• and
• applying the reaction probability at the reactor-scale.

A computer implemented system for simulating reactor-scale ALD, comprising:

• a processor,
• non-transitory computer-readable memory having instructions thereon, the instructions for:
• determining nanostructures for the thin film deposition;
• modeling transport of a reacting molecule in the thin film deposition as a Markov chain process;
• determining a probability that a reacting molecule adsorbs;
• and
• applying the probably to a reactor-scale to simulate a thin film deposition on a reactor scale.

A method to allow the concurrent solution of the coating of nanostructured materials consisting of:

• solving a feature-scale model to determine look-up tables for the relevant tracking and output variables for the nanostructured material;
• storing the results in a database for future retrieval;
• and
• concurrently solving the reactor-scale model for a multiplicity of conditions and reactor configurations.