Reactor simulation
Choose a chamber model such as crossflow, showerhead or flow tube, set pulse, purge, pressure, flow and temperature, and simulate the reactor with COMSOL.
ALDKIT / Process simulation
See the process across the reactor.
Connect gas delivery with surface response. ALDKIT's COMSOL-based workflows organize reactor models, recipe controls and time-resolved results so you can investigate how a specified ALD process unfolds in space and time.
ALDKIT / PROCESSCross-flow chamber
- Al₂O₃
- TMA/H₂O · 140 mm wafer
- ZrO₂
- CpZr/O₃ · 46 reactions
- Chambers
- cross-flow · tube · lid gas ring
2
Chemistry families
Al₂O₃ / TMA–H₂O and ZrO₂ / CpZr–O₃ in the recipe catalog.
5
Executable recipe contracts
Two full-cycle recipes and three legacy or half-reaction recipes; runtime and model files are required.
3
Chamber families
Cross-flow, tube chamber and lid gas ring among the executable recipes.
In the ALDKIT desktop app
Process simulation modules
COMSOL project analysis
Optional: import an existing COMSOL project file and analyse it.
Official case reproduction
Reproduce the official reference case and compare the results with the reference.
Simulation server
Connect a remote computing cluster and run simulations there as SLURM jobs.
From delivery to reaction
Track gas transport and surface response.
A programmed pulse does not reach every part of a reactor at the same instant. Flow, transport and surface reactions create local histories that matter when interpreting an ALD process. The process module makes those histories visible within the selected model.
Follow precursor delivery
Inspect concentration fields and time traces to see precursor arrival, distribution and removal during the modeled sequence. Compare locations across the chamber or wafer where the recipe provides those outputs.
- Transient species concentrations
- Transport animations and sampled traces
Read the surface response
Connect gas-phase histories with modeled surface species and reaction rates. Separate a change in gas delivery from a change in the surface response represented by the chemistry model.
- Surface species and reaction-rate curves
- Recipe-specific spatial comparisons
Understand the flow context
Use velocity and pressure views to interpret the environment in which transport and chemistry evolve. The workflow keeps the selected geometry, process inputs and solved datasets together.
- Flow and pressure visualizations
- Model configuration with result artifacts
The model catalog
Choose the recipe that matches the question.
Each recipe defines a particular chamber, chemistry, set of editable inputs and result workflow. The catalog preserves those differences so that a half-reaction study is not confused with a full-cycle calculation.
| Recipe | Primary controls | Model scope |
|---|---|---|
| Cross-flow / Al₂O₃ | TMA pulse, hold, purge and H₂O pulse durations. | TMA/H₂O two-reaction cycle on a fixed 140 mm wafer geometry. |
| Cross-flow / ZrO₂ | Wafer diameter, four stage durations, pressure, flow, temperature, partial pressures and cycle count. | CpZr/O₃ model with 46 reactions; wafer diameter is configurable from 50 to 160 mm. |
| Tube chamber / TMA | TMA pulse duration. | Legacy half-reaction model with fixed geometry and other physical settings. |
| Lid gas ring / TMA | TMA pulse duration, chamber pressure and inlet flow. | Legacy TMA wafer-reaction model with a fixed 200 mm wafer region. |
| Cross-flow / TMA half-reaction | Mapped chamber geometry parameters. | Legacy geometry-mapping workflow retained alongside the full-cycle recipes. |
A guided workflow
Configure, solve and compare.
ALDKIT organizes the steps around the scientific task: select the model, define supported conditions, run the calculation and inspect the results. The exact controls are determined by the chosen recipe.
Select and configure
Choose a chamber/chemistry combination and review its editable parameters. Use the model's units and geometry constraints to define a coherent case.
- Recipe-specific parameter validation
- Explicit geometry and chemistry scope
Solve the case
The workflow prepares the selected COMSOL template, applies supported settings and runs the required studies. Configured compute resources provide the solver environment.
- Template preparation and study orchestration
- Saved solved models and run logs
Inspect and compare
Review the spatial fields, transient curves and exported summaries appropriate to that recipe. Compare controlled variants to understand the response to a pulse, flow or pressure change.
- Images, animations and time-series data
- CSV and metrics exports where supported
More than a final contour
Watch the process unfold over time.
Time-resolved analysis helps explain a final spatial pattern. The available outputs vary by recipe, from TMA and water transport to surface-species responses, reaction rates and wafer-location comparisons.
Pulse and purge dynamics
For the Al₂O₃ cross-flow cycle, follow TMA and H₂O transport together with surface species and the two modeled reaction rates. The result workflow exports time series and corresponding visualizations.
A richer chemistry case
The ZrO₂ cross-flow model uses a 46-reaction mechanism and supports phase summaries and gas concentration comparisons at wafer flow-axis locations. These outputs help examine timing and spatial variation within the implemented mechanism.
Interpreting a model
Model scope and validation.
Process simulation is most valuable when the chemistry, geometry, boundary conditions and numerical choices are clear. The current recipes are focused research workflows, with distinct levels of numerical qualification and no blanket claim of experimental validation.
Read each quantity as defined
Surface-species concentration or a normalized site-density response is not automatically a film thickness or GPC. Growth conversion, mesh convergence and comparison with experiment require their own evidence.
Use the appropriate environment
Execution requires a compatible COMSOL installation, license and model dependencies. The separate showerhead reference in the catalog is not enabled for execution. ALDHub is currently a public review site; login and compute tools are not yet enabled.
Explore furtherYOUR NEXT RESEARCH QUESTION
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Discover what each module can do, then choose the workflow that fits your science.