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Process Modeling |
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Chemical Kinetics |
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Reliability Modeling |
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Device Modeling |
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Chemical Kinetics 
The main goal of the project is to backup new technology design through development of the capabilities (theory, models and software) and performing computational studies of complex chemical processes based on first principles - quantum mechanics and statistical theory. This approach is applied to modeling of a large gamut of CVD processes, like silicon nitride CVD.
As parts of the overall effort effort the following individual modeling and simulation tasks are carried out:
- Ab initio quantum chemical study of essential gas-phase and surface reactions to determine thermochemical properties of species and reactions.
- Reaction rate calculations based on transition state and RRKM (Rice-Ramsperger-Kassel-Marcus) theories.
- Reactor modeling based on simplified models to verify chemical mechanisms and determine gas-phase composition.
- Statistical (Monte-Carlo) model of film growth at atomic scale capable to account for substitution defects formation, impurity migration and other subtle processes.
SOFT-TEC expertise in the chemical kinetics field finds its proof in creation of the models and computational tools, as well as development and implementation of an integrated approach for chemical kinetics modeling.
Capabilities