TCAD Process Simulator

Process-focused TCAD-like simulator for semiconductor fabrication workflows.
面向半导体制程流程的 TCAD-like 工艺仿真平台。

tcad_simulator.py is the canonical single-file application. It combines process recipe editing, voxel-based wafer modeling, lithography/mask workflows, deposition, etch, CMP, implantation, annealing, oxidation/nitridation, metrology, 3D/2D visualization, export tools, a desktop GUI, a multi-user WebUI, and optional LLM-assisted recipe design.

tcad_simulator.py 是项目主入口和权威源码。它把工艺 recipe 编辑、体素晶圆模型、光刻/掩膜流程、沉积、刻蚀、CMP、离子注入、退火、氧化/氮化、测量、3D/2D 可视化、导出工具、桌面 GUI、多用户 WebUI 和可选 LLM recipe 辅助集成在一个单文件应用中。

Capabilities

Area	Features
Process TCAD workflow	Wafer initialization, lithography, deposition, selective epitaxy, etch, CMP, implantation, anneal, oxidation/nitridation, surface reactions
Voxel process kernel	Configurable `NX × NY × NZ` domain, nanometer voxel size, material grid, height map, mask state, doping/defect fields, snapshots
Lithography and mask	Spin resist, exposure, PEB, develop, image/NumPy/GDSII masks, mask designer, DRC-style metrics, process-window probes
Materials and recipes	Built-in material database, process parameters, Admin overrides, recipe JSON migration, presets, history, loop workflows
Visualization	3D stack preview, material components, cross-sections, doping/exposure heatmaps, WebGL/host-assisted render paths
Metrology and export	CD/feature metrics, material inventory, interfaces, CSV, STL, TCAD geometry, PNG frame sequences, optional MP4 video
Desktop and WebUI	PyQt5 desktop application, multi-user WebUI, isolated sessions where supported, Admin UI, encrypted library storage
Knowledge and Agent	Optional PDF/literature ingestion, local retrieval, process mapping, physics audit, skills, LLM-assisted recipe drafting

Architecture

flowchart TD
    subgraph Interfaces[User Interfaces]
        Desktop[PyQt5 desktop GUI]
        Browser[Multi-user browser WebUI]
        CLI[Headless CLI and selftests]
        Admin[Admin UI]
    end

    subgraph Orchestration[Application Orchestration]
        Controller[SimulatorController]
        WebServer[WebUIServerManager and HTTP API]
        Session[WebUISession]
        Worker[Worker runtime]
        Headless[simulate_headless]
        RecipeIO[Recipe JSON migration and history]
    end

    subgraph RecipeLayer[Recipe and Step Layer]
        Recipe[Process recipe]
        Factories[PROCESS_STEP_FACTORIES]
        Steps[ProcessStep subclasses]
        Params[ParameterSpec UI schema]
    end

    subgraph ProcessKernel[TCAD Process Kernel]
        Model[ProcessModel]
        Materials[MaterialDatabase]
        Grid[Voxel material grid]
        Height[Height map and open mask]
        Fields[Doping, dopant species, defects, exposure fields]
        Snapshots[Snapshot, cache, undo, spill-to-disk]
    end

    subgraph PhysicsDomains[Process Physics Domains]
        Litho[Lithography and resist]
        Dep[Deposition]
        Epi[Selective epitaxy]
        Etch[Etch]
        CMP[CMP]
        Implant[Implantation]
        Anneal[Anneal and diffusion]
        Ox[Oxidation, nitridation, surface reactions]
    end

    subgraph Analysis[Analysis and Output]
        Geometry[Level-set, marching cubes, surface patches]
        Preview[3D stack, slices, heatmaps]
        Metrology[CD, interfaces, inventory, component metrics]
        Export[CSV, STL, TCAD geometry, PNG frames, MP4]
    end

    subgraph Knowledge[Optional Knowledge and Agent]
        Docs[PDF and text ingestion]
        Retrieval[Local retrieval]
        Mapper[ProcessMapper]
        Auditor[PhysicsAuditor]
        Agent[LLM-assisted recipe drafting]
    end

    subgraph Storage[Runtime Storage]
        WebData[TCAD_Web_Data]
        Static[_static WebUI assets]
        Library[Encrypted library]
        Literature[Local literature DB]
    end

    Desktop --> Controller
    Browser --> WebServer
    Admin --> WebServer
    WebServer --> Session --> Worker
    CLI --> Headless
    Controller --> RecipeIO
    Worker --> RecipeIO
    Headless --> Recipe
    RecipeIO --> Recipe
    Recipe --> Factories --> Steps --> Model
    Params --> Steps
    Model --> Materials
    Model --> Grid
    Model --> Height
    Model --> Fields
    Model --> Snapshots
    Model --> Litho
    Model --> Dep
    Model --> Epi
    Model --> Etch
    Model --> CMP
    Model --> Implant
    Model --> Anneal
    Model --> Ox
    Grid --> Geometry --> Preview
    Fields --> Preview
    Grid --> Metrology --> Export
    Geometry --> Export
    Worker --> WebData
    WebData --> Static
    WebData --> Library
    WebData --> Literature
    Docs --> Retrieval --> Mapper --> Agent --> Recipe
    Auditor --> Recipe
    Retrieval --> Auditor

ProcessModel is the central state boundary. GUI, WebUI, headless execution, recipe import/export, and optional Agent proposals all converge through the same ProcessStep.execute(model) protocol.

ProcessModel 是核心状态边界。桌面 GUI、WebUI、headless 执行、recipe 导入导出和可选 Agent proposal 最终都会通过同一个 ProcessStep.execute(model) 协议进入工艺内核。

Process Model

flowchart LR
    Start([Recipe start]) --> Init[Initialize Wafer]
    Init --> Spin[Spin Resist]
    Spin --> Exposure[Mask Exposure]
    Exposure --> PEB[Post-Exposure Bake]
    PEB --> Develop[Resist Develop]
    Develop --> Etch[Etch]
    Etch --> Deposition[Deposition]
    Deposition --> Epitaxy[Selective Epitaxy]
    Epitaxy --> CMP[CMP]
    CMP --> Implant[Implantation]
    Implant --> Anneal[Anneal]
    Anneal --> OxNit[Oxidation / Nitridation]
    OxNit --> Surface[Surface Reaction]
    Surface --> Metro[Metrology]
    Metro --> Export[Export]
    Export --> End([Recipe complete])

    subgraph LithographyControls[Lithography controls]
        MaskInput[Image, NumPy, or GDSII mask]
        MaskMetrics[Mask metrics and DRC]
        Aerial[Aerial image and exposure dose]
        Resist[Resist chemistry and tone]
    end

    subgraph MaterialControls[Material and process controls]
        MatDB[MaterialDatabase]
        Selectivity[Selectivity and etch rates]
        Conformality[Conformality, accessibility, feature loading]
        Dopants[Dopant species, dose, energy, tilt]
        Thermal[Temperature, time, ambient]
    end

    MaskInput --> Exposure
    Exposure --> Aerial --> Resist --> Develop
    MaskMetrics --> Exposure
    MatDB --> Init
    MatDB --> Deposition
    MatDB --> Epitaxy
    MatDB --> Etch
    Selectivity --> Etch
    Conformality --> Deposition
    Conformality --> Epitaxy
    Dopants --> Implant
    Dopants --> Deposition
    Thermal --> Anneal
    Thermal --> OxNit
    Thermal --> Surface

flowchart TD
    subgraph State[Mutable simulator state]
        Grid[3D material-id voxel grid]
        Height[Height map]
        OpenMask[Open-mask and resist state]
        Doping[Doping concentration field]
        Species[Dopant species fields]
        Defects[Defect and damage fields]
        ExposureField[Exposure and resist chemistry fields]
        Logs[Run log and snapshots]
    end

    subgraph Numeric[Numeric kernels]
        EDT[Euclidean distance transform]
        Propagation[Binary and weighted propagation distance]
        LevelSet[Signed distance and level-set evolution]
        Normals[Surface normals]
        FFT[FFT blur and lithography approximations]
        Compression[Voxel compression and snapshot spill]
    end

    subgraph GeometryPath[Geometry reconstruction]
        Mesh[Marching cubes meshes]
        Patches[Height-map surface patches]
        Components[Material component summaries]
        BRep[B-Rep readiness and smooth surfaces]
    end

    subgraph Observables[User-visible outputs]
        Stack3D[3D stack preview]
        Slices[Cross-sections and heatmaps]
        Metrics[CD, inventory, interfaces, component diameters]
        Reports[Run reports]
        Files[CSV, STL, TCAD geom, PNG, MP4]
    end

    Grid --> Height
    Grid --> OpenMask
    Grid --> EDT
    Grid --> Propagation
    Grid --> LevelSet
    Doping --> Slices
    Species --> Slices
    Defects --> Slices
    ExposureField --> FFT
    LevelSet --> Normals
    LevelSet --> Mesh
    Height --> Patches
    Grid --> Components
    Mesh --> BRep
    Mesh --> Stack3D
    Patches --> Stack3D
    Components --> Metrics
    Grid --> Metrics
    Slices --> Reports
    Metrics --> Reports
    Stack3D --> Files
    Reports --> Files
    Logs --> Reports
    Compression --> Logs

The numerical model is physics-inspired and designed for research, teaching, and process exploration. It is not a calibrated commercial TCAD sign-off tool.

该数值模型是 physics-inspired 的研究/教学/探索工具，不是经过工业标定的商业 TCAD sign-off 替代品。除非已经用真实工艺数据验证，否则生成的结构、掺杂场和 metrology 数值都应视为探索性结果。

WebUI Runtime

sequenceDiagram
    participant Browser
    participant HTTP as WebUIRequestHandler
    participant Session as WebUISession
    participant Worker as Worker Runtime
    participant Recipe as Recipe/History
    participant Model as ProcessModel
    participant Render as Preview/Export
    participant Agent as Optional Agent
    participant Store as TCAD_Web_Data

    Browser->>HTTP: GET / and /static assets
    HTTP->>Store: ensure _static assets
    HTTP-->>Browser: HTML, CSS, JS, Three.js
    Browser->>HTTP: POST API command
    HTTP->>Session: resolve cookie and client session
    Session->>Worker: RPC {cmd, payload, rid}
    Worker->>Recipe: load, edit, migrate, autosave
    Recipe->>Model: ProcessStep.execute(model)
    Worker->>Model: run step, run all, reset, undo
    Worker->>Render: preview manifest, gbuffer, slice, export
    Worker->>Agent: optional recipe proposal and audit
    Worker->>Store: history, cache, preview, exports, library
    Model-->>Worker: state, metrics, geometry
    Render-->>Worker: images, meshes, files
    Agent-->>Worker: candidate recipe or critique
    Worker-->>Session: {ok, result, rid}
    Session-->>HTTP: JSON / binary response
    HTTP-->>Browser: WebUI update

flowchart TD
    subgraph Source[Repository source]
        App[tcad_simulator.py]
        Readme[README and TCAD_Demo.png]
        Docs[docs markdown]
        Tools[tools]
        Scripts[run and split scripts]
    end

    subgraph Generated[Generated developer outputs]
        Html[docs_html offline site]
        Vendor[tools/html_vendor docsite libraries]
        Split[tcad_simulator_split package view]
        SplitHtml[tcad_simulator_split/docs_html]
        Reports[SPLIT_REPORT and VERIFY_REPORT]
    end

    subgraph Runtime[Local runtime data]
        WebData[TCAD_Web_Data]
        Static[_static WebUI JS/CSS assets]
        SessionData[session autosave, logs, cache]
        Exports[exports and preview cache]
        Library[encrypted library and Admin config]
        LitDB[local literature DB]
    end

    subgraph Tooling[Automation]
        Docsite[tools/docsite.py]
        VendorFetch[tools/vendor_docsite_libs.py]
        Splitter[tools/split_tcad.py]
        WebAssetFetch[WebUI Three.js downloader]
    end

    Docs --> Docsite --> Html
    Docsite --> VendorFetch --> Vendor
    App --> Splitter --> Split
    Splitter --> Reports
    Split --> SplitHtml
    App --> WebData
    WebData --> Static
    WebData --> SessionData
    WebData --> Exports
    WebData --> Library
    WebData --> LitDB
    WebAssetFetch --> Static
    Scripts --> App
    Scripts --> Splitter

    classDef generated fill:#eef6ff,stroke:#2b6cb0,color:#17324d;
    classDef local fill:#fff7e6,stroke:#b7791f,color:#4a2f00;
    class Html,Vendor,Split,SplitHtml,Reports generated;
    class WebData,Static,SessionData,Exports,Library,LitDB local;

WebUI JavaScript assets are prepared automatically under TCAD_Web_Data/_static/. The downloader uses local reuse first, then region-friendly CDN fallbacks, then npm/npmmirror tarball extraction for Three.js assets.

WebUI 的 JavaScript 资源会自动准备到 TCAD_Web_Data/_static/。下载逻辑会先复用本地已有文件，再按地区友好的 CDN fallback 下载，最后从 npm/npmmirror tarball 中提取 Three.js 资源。

Useful asset environment variables:

TCAD_WEBUI_CDN_REGION=cn
TCAD_WEBUI_ASSET_BASE=https://your-mirror.example/[email protected]
TCAD_WEBUI_THREE_TARBALL=https://your-mirror.example/three-0.145.0.tgz
TCAD_WEBUI_ASSET_TIMEOUT=8

Repository Layout

.
├── tcad_simulator.py          # Canonical single-file simulator
├── TCAD_Demo.png              # README screenshot
├── README.md                  # Project overview
├── docs/                      # Source-focused architecture and algorithm docs
├── requirements.txt           # Recommended dependencies
├── run_tcad_macos.sh          # macOS launcher
├── run_tcad_linux.sh          # Linux launcher
├── run_tcad.ps1               # Windows PowerShell launcher
├── run_tcad.bat               # Windows CMD launcher
├── split_tcad.sh              # macOS/Unix developer split helper
├── split_tcad_linux.sh        # Linux developer split helper
├── split_tcad.ps1             # Windows PowerShell split helper
├── split_tcad.bat             # Windows CMD split helper
├── tools/                     # Documentation/split tooling
├── .github/                   # Issue templates and smoke workflow
├── LICENSE
├── THIRD_PARTY_NOTICES.md
├── CONTRIBUTING.md
├── SECURITY.md
└── CODE_OF_CONDUCT.md

Generated and local runtime paths such as TCAD_Web_Data/, docs_html/, tools/html_vendor/, tcad_simulator_split/, and tcad_simulator_split.zip are ignored by default.

TCAD_Web_Data/、docs_html/、tools/html_vendor/、tcad_simulator_split/ 和 tcad_simulator_split.zip 默认作为本地运行/生成产物忽略。

Installation

Python 3.10 or newer is recommended.

推荐使用 Python 3.10 或更新版本。

python3 -m venv .venv
source .venv/bin/activate
python -m pip install --upgrade pip
python -m pip install -r requirements.txt

For a smaller core runtime:

如果只需要较小的核心运行栈：

python -m pip install numpy matplotlib PyQt5 scipy scikit-image cryptography

Optional feature dependencies:

GDSII import/export: gdstk or gdspy
PDF literature ingestion: pdfminer.six, PyPDF2, or optional PyMuPDF
Image/mask helpers: Pillow
MP4 export: imageio-ffmpeg or system ffmpeg
Numeric acceleration: numba

Run

Desktop application:

桌面应用：

python tcad_simulator.py

Cross-platform launchers:

跨平台启动脚本：

# macOS
./run_tcad_macos.sh

# Linux
./run_tcad_linux.sh

# Windows PowerShell
.\run_tcad.ps1

:: Windows CMD
run_tcad.bat

Headless smoke test:

Headless 快速自测：

TCAD_SKIP_QT=1 MPLBACKEND=Agg python tcad_simulator.py --mask-prompt-selftest --n 3 --res 128

Other selftest entry points:

其他自测入口：

python tcad_simulator.py --webui-selftest --skip-video
python tcad_simulator.py --saqp-selftest --skip-ref
python tcad_simulator.py --recipe-io-selftest

Some regression selftests require local fixtures such as SAQP_Thinking_Flow.json, tcad_simulator_2.19.py, or LLM_Test_Config.json. Missing fixtures can make those tests fail even when the simulator itself runs correctly.

部分 regression selftest 需要本地 fixture。缺少这些 fixture 时测试失败，不一定表示 simulator 无法运行。

Documentation

Formal source-focused documentation lives in docs/:

正式文档位于 docs/，重点解释 tcad_simulator.py 的架构、算法和维护边界：

Build offline HTML docs:

生成离线 HTML 文档：

python3 tools/docsite.py --docs-dir docs --out-dir docs_html

If tools/html_vendor/ is missing Mermaid, Marked, MathJax, or Highlight.js, the docsite builder downloads the required vendor assets automatically. docs_html/ and tools/html_vendor/ are reproducible generated outputs and are ignored by default.

如果 tools/html_vendor/ 缺少 Mermaid、Marked、MathJax 或 Highlight.js，HTML 文档构建器会自动下载依赖。docs_html/ 和 tools/html_vendor/ 是可再生成产物，默认被 Git 忽略。

Developer Tooling

Optional split tooling generates a package-style source view, reports, and generated docs:

可选 split 工具会生成 package-style 源码视图、报告和开发文档：

./split_tcad.sh
./split_tcad_linux.sh

.\split_tcad.ps1

split_tcad.bat

Generated outputs include tcad_simulator_split/docs/, tcad_simulator_split/docs_html/, SPLIT_REPORT.json, and VERIFY_REPORT.json. They are for developer inspection and are ignored by default.

生成物包括 tcad_simulator_split/docs/、tcad_simulator_split/docs_html/、SPLIT_REPORT.json 和 VERIFY_REPORT.json，用于开发检查，默认被 Git 忽略。

Runtime Data

The simulator creates local runtime and generated files while running the desktop GUI, WebUI, documentation builder, and developer split tools. These files are intentionally ignored by Git because they can be large, machine-specific, or private.

仿真器在运行桌面 GUI、WebUI、文档构建器和开发拆分工具时会生成本地运行数据和构建产物。这些文件可能很大、只适用于当前机器，或包含私有信息，因此默认被 Git 忽略。

Path	Purpose
`TCAD_Web_Data/`	WebUI sessions, static assets, autosaves, logs, preview cache, exports, encrypted library data, Admin config, and local keys
`docs_html/`	Generated offline HTML version of `docs/`
`tools/html_vendor/`	Downloaded JavaScript/CSS vendor cache for HTML documentation
`tcad_simulator_split/`	Generated package-style source view and developer reports
`tcad_simulator_split.zip`	Generated split archive
`TCAD_Selftest_Output_*/`	Selftest artifacts and exported regression data

Do not place API keys, private process recipes, proprietary datasets, private papers, or internal experiment outputs in the repository.

不要把 API key、私有工艺 recipe、专有数据集、未公开论文或内部实验输出放进仓库。

License

This project is released under the MIT License. See LICENSE.

本项目代码采用 MIT License 发布，见 LICENSE。

Third-party dependencies remain under their own licenses. In particular, PyQt5 is distributed under GPL/commercial licensing, and optional PyMuPDF/MuPDF is distributed under AGPL/commercial licensing. This matters most when redistributing packaged binaries or commercial bundles. See THIRD_PARTY_NOTICES.md for dependency license notes.

第三方依赖仍遵循各自许可证。尤其是 PyQt5 采用 GPL/commercial 许可，可选 PyMuPDF/MuPDF 采用 AGPL/commercial 许可；这主要影响二进制打包、商业捆绑或再分发场景。依赖许可证说明见 THIRD_PARTY_NOTICES.md。

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TCAD Process Simulator

Contents

Capabilities

Architecture

Process Model

WebUI Runtime

Repository Layout

Installation

Run

Documentation

Developer Tooling

Runtime Data

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Name		Name	Last commit message	Last commit date
Latest commit History 7 Commits
docs		docs
tools		tools
CODE_OF_CONDUCT.md		CODE_OF_CONDUCT.md
CONTRIBUTING.md		CONTRIBUTING.md
LICENSE		LICENSE
README.md		README.md
SECURITY.md		SECURITY.md
TCAD_Demo.png		TCAD_Demo.png
THIRD_PARTY_NOTICES.md		THIRD_PARTY_NOTICES.md
requirements.txt		requirements.txt
run_tcad.bat		run_tcad.bat
run_tcad.ps1		run_tcad.ps1
run_tcad_linux.sh		run_tcad_linux.sh
run_tcad_macos.sh		run_tcad_macos.sh
split_tcad.bat		split_tcad.bat
split_tcad.ps1		split_tcad.ps1
split_tcad.sh		split_tcad.sh
split_tcad_linux.sh		split_tcad_linux.sh
tcad_simulator.py		tcad_simulator.py

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TCAD Process Simulator

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Capabilities

Architecture

Process Model

WebUI Runtime

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Run

Documentation

Developer Tooling

Runtime Data

License

About

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