Added simple 2-particle TEOS PE-CVD model

examples/TEOSPECVDTrenchDeposition/CMakeLists (copy).txt

@@ -0,0 +1,8 @@
+project(TEOSTrenchDeposition LANGUAGES CXX)
+
+add_executable(TEOSPECVD "TEOSPECVD.cpp")
+target_link_libraries(TEOSPECVD PRIVATE ViennaPS)
+configure_file(TEOSPECVD_config.txt ${CMAKE_CURRENT_BINARY_DIR}/TEOSPECVD_config.txt COPYONLY)
+
+add_dependencies(ViennaPS_Examples TEOSPECVD)
+setup_windows_bat(TEOSPECVD ${VIENNAPS_EXAMPLES_LIB})

examples/TEOSPECVDTrenchDeposition/CMakeLists.txt

@@ -0,0 +1,24 @@
+cmake_minimum_required(VERSION 3.12)
+project("TEOS_PE-CVD")
+
+# set default build type
+SET(DEFAULT_BUILD_TYPE "Release")
+if(NOT CMAKE_BUILD_TYPE AND NOT CMAKE_CONFIGURATION_TYPES)
+  message(STATUS "Setting build type to '${DEFAULT_BUILD_TYPE}' as none was specified.")
+  set(CMAKE_BUILD_TYPE "${DEFAULT_BUILD_TYPE}" CACHE
+      STRING "Choose the type of build." FORCE)
+  # Set the possible values of build type for cmake-gui
+  set_property(CACHE CMAKE_BUILD_TYPE PROPERTY STRINGS
+    "Debug" "Release" "MinSizeRel" "RelWithDebInfo")
+endif()
+
+set (CMAKE_CXX_STANDARD 17)
+
+list(APPEND CMAKE_PREFIX_PATH "/home/filipov/Software/ViennaTools/VPS")
+
+find_package(ViennaPS)
+
+# CMake target
+add_executable(TEOSPECVD TEOSPECVD.cpp)
+target_link_libraries(TEOSPECVD PUBLIC ViennaTools::ViennaPS)
+configure_file(TEOSPECVD_config.txt ${CMAKE_CURRENT_BINARY_DIR}/TEOSPECVD_config.txt COPYONLY)

examples/TEOSPECVDTrenchDeposition/TEOSPECVD.cpp

@@ -0,0 +1,64 @@
+#include <geometries/psMakeTrench.hpp>
+#include <models/psTEOSPECVD.hpp>
+
+#include <psDomain.hpp>
+#include <psProcess.hpp>
+
+#include "parameters.hpp"
+
+int main(int argc, char **argv) {
+  psLogger::setLogLevel(psLogLevel::DEBUG);
+
+  using NumericType = double;
+  constexpr int D = 2;
+
+  // Parse the parameters
+  Parameters<NumericType> params;
+  if (argc > 1) {
+    auto config = psUtils::readConfigFile(argv[1]);
+    if (config.empty()) {
+      std::cerr << "Empty config provided" << std::endl;
+      return -1;
+    }
+    params.fromMap(config);
+  }
+
+  auto geometry = psSmartPointer<psDomain<NumericType, D>>::New();
+  psMakeTrench<NumericType, D>(
+      geometry, params.gridDelta /* grid delta */, params.xExtent /*x extent*/,
+      params.yExtent /*y extent*/, params.trenchWidth /*trench width*/,
+      params.trenchHeight /*trench height*/,
+      params.taperAngle /* tapering angle */, 0 /*base height*/,
+      false /*periodic boundary*/, false /*create mask*/,
+      psMaterial::Si /*material*/)
+      .apply();
+
+  // copy top layer to capture deposition
+  geometry->duplicateTopLevelSet(psMaterial::SiO2);
+
+  // process model encompasses surface model and particle types
+  auto model = psSmartPointer<psTEOSPECVD<NumericType, D>>::New(
+      params.stickingProbabilityRadical /*radical sticking probability*/,
+      params.depositionRateRadical      /*neutral radical deposition rate*/,
+      params.depositionRateIon          /*charged ion deposition rate*/,
+      params.exponentIon                /*cosine power exponent*/,
+      params.stickingProbabilityIon     /*ion sticking probability*/,
+      params.reactionOrderRadical       /*radical reaction order*/,
+      params.reactionOrderIon           /*ion reaction order*/,
+      params.minAngleIon                /*minimum reflected angle ion*/);
+
+  psProcess<NumericType, D> process;
+  process.setDomain(geometry);
+  process.setProcessModel(model);
+  process.setNumberOfRaysPerPoint(params.numRaysPerPoint);
+  process.setProcessDuration(params.processTime);
+
+  geometry->saveSurfaceMesh("TEOS_PECVD_initial.vtp");
+
+  process.apply();
+
+  geometry->saveSurfaceMesh("TEOS_PECVD_final.vtp");
+
+  if constexpr (D == 2)
+    geometry->saveVolumeMesh("TEOS_PECVD_final");
+}

examples/TEOSPECVDTrenchDeposition/TEOSPECVD_config.txt

@@ -0,0 +1,25 @@
+# Domain
+gridDelta=2.5 # um
+xExtent=110. # um
+yExtent=110. # um (3D mode only)
+
+# Geometry
+trenchWidth=70  # um
+trenchHeight=70 # um
+taperAngle=0.   # degrees
+
+# Process
+processTime=350 # min
+numRaysPerPoint=1000 
+
+# radical
+depositionRateRadical=0.05 # um / min
+stickingProbabilityRadical=1e-4
+reactionOrderRadical=1.0
+
+# ion
+depositionRateIon=0.05 # um / min
+stickingProbabilityIon=1.
+reactionOrderIon=1.0
+exponentIon=100.
+minAngleIon=1.34

examples/TEOSPECVDTrenchDeposition/multiTEOS.py

@@ -0,0 +1,63 @@
+from argparse import ArgumentParser
+
+# parse config file name and simulation dimension
+parser = ArgumentParser(
+    prog="multiTEOS",
+    description="Run a multi TEOS deposition process on a trench geometry.",
+)
+parser.add_argument("-D", "-DIM", dest="dim", type=int, default=2)
+parser.add_argument("filename")
+args = parser.parse_args()
+
+# switch between 2D and 3D mode
+if args.dim == 2:
+    print("Running 2D simulation.")
+    import viennaps2d as vps
+else:
+    print("Running 3D simulation.")
+    import viennaps3d as vps
+
+params = vps.ReadConfigFile(args.filename)
+
+geometry = vps.Domain()
+vps.MakeTrench(
+    domain=geometry,
+    gridDelta=params["gridDelta"],
+    xExtent=params["xExtent"],
+    yExtent=params["yExtent"],
+    trenchWidth=params["trenchWidth"],
+    trenchDepth=params["trenchHeight"],
+    taperingAngle=params["taperAngle"],
+    baseHeight=0.0,
+    periodicBoundary=False,
+    makeMask=False,
+    material=vps.Material.Si,
+).apply()
+
+# copy top layer to capture deposition
+geometry.duplicateTopLevelSet(vps.Material.SiO2)
+
+# process model encompasses surface model and particle types
+model = vps.TEOSDeposition(
+    stickingProbabilityP1=params["stickingProbabilityP1"],
+    rateP1=params["depositionRateP1"],
+    orderP1=params["reactionOrderP1"],
+    stickingProbabilityP2=params["stickingProbabilityP2"],
+    rateP2=params["depositionRateP2"],
+    orderP2=params["reactionOrderP2"],
+)
+
+process = vps.Process()
+process.setDomain(geometry)
+process.setProcessModel(model)
+process.setNumberOfRaysPerPoint(int(params["numRaysPerPoint"]))
+process.setProcessDuration(params["processTime"])
+
+geometry.saveSurfaceMesh("MultiTEOS_initial.vtp")
+
+process.apply()
+
+geometry.saveSurfaceMesh("MultiTEOS_final.vtp")
+
+if args.dim == 2:
+    geometry.saveVolumeMesh("MultiTEOS_final")

examples/TEOSPECVDTrenchDeposition/parameters.hpp

@@ -0,0 +1,58 @@
+#pragma once
+
+#include <string>
+#include <unordered_map>
+
+#include <psUtils.hpp>
+
+template <class NumericType> struct Parameters {
+  // Domain
+  NumericType gridDelta = 5.; // um
+  NumericType xExtent = 100.; // um
+  NumericType yExtent = 100.; // um (3D mode only)
+
+  // Geometry
+  NumericType trenchWidth = 70;  // um
+  NumericType trenchHeight = 70; // um
+  NumericType taperAngle = 0.;   // degrees
+
+  // Process
+  NumericType processTime = 350.; // min
+  int numRaysPerPoint = 2000;
+
+  // Radical particle
+  NumericType depositionRateRadical = 0.1;
+  NumericType stickingProbabilityRadical = 0.1;
+  NumericType reactionOrderRadical = 1.;
+
+  // Ion particle
+  NumericType depositionRateIon = 0.1;
+  NumericType stickingProbabilityIon = 1e-4;
+  NumericType reactionOrderIon = 1.;
+  NumericType exponentIon = 100.;
+  NumericType minAngleIon = 1.3962634;
+
+  Parameters() {}
+
+  void fromMap(std::unordered_map<std::string, std::string> &m) {
+    psUtils::AssignItems(                                                        //
+        m,                                                                       //
+        psUtils::Item{"gridDelta", gridDelta},                                   //
+        psUtils::Item{"xExtent", xExtent},                                       //
+        psUtils::Item{"yExtent", yExtent},                                       //
+        psUtils::Item{"trenchWidth", trenchWidth},                               //
+        psUtils::Item{"trenchHeight", trenchHeight},                             //
+        psUtils::Item{"taperAngle", taperAngle},                                 //
+        psUtils::Item{"processTime", processTime},                               //
+        psUtils::Item{"numRaysPerPoint", numRaysPerPoint},                       //
+        psUtils::Item{"depositionRateRadical", depositionRateRadical},           //
+        psUtils::Item{"stickingProbabilityRadical", stickingProbabilityRadical}, //
+        psUtils::Item{"reactionOrderRadical", reactionOrderRadical},             //
+        psUtils::Item{"depositionRateIon", depositionRateIon},                   //
+        psUtils::Item{"stickingProbabilityIon", stickingProbabilityIon},         //
+        psUtils::Item{"reactionOrderIon", reactionOrderIon},                     //
+        psUtils::Item{"exponentIon", exponentIon},                               //
+        psUtils::Item{"minAngleIon", minAngleIon}                                //
+    );
+  }
+};

examples/TEOSTrenchDeposition/CMakeLists (copy).txt

@@ -0,0 +1,19 @@
+project(TEOSTrenchDeposition LANGUAGES CXX)
+
+add_executable(singleTEOS "singleTEOS.cpp")
+target_link_libraries(singleTEOS PRIVATE ViennaPS)
+
+configure_file(singleTEOS.py ${CMAKE_CURRENT_BINARY_DIR}/singleTEOS.py COPYONLY)
+configure_file(singleTEOS_config.txt ${CMAKE_CURRENT_BINARY_DIR}/singleTEOS_config.txt COPYONLY)
+
+add_dependencies(ViennaPS_Examples singleTEOS)
+setup_windows_bat(singleTEOS ${VIENNAPS_EXAMPLES_LIB})
+
+add_executable(multiTEOS "multiTEOS.cpp")
+target_link_libraries(multiTEOS PRIVATE ViennaPS)
+
+configure_file(multiTEOS.py ${CMAKE_CURRENT_BINARY_DIR}/multiTEOS.py COPYONLY)
+configure_file(multiTEOS_config.txt ${CMAKE_CURRENT_BINARY_DIR}/multiTEOS_config.txt COPYONLY)
+
+add_dependencies(ViennaPS_Examples multiTEOS)
+setup_windows_bat(multiTEOS ${VIENNAPS_EXAMPLES_LIB})

examples/TEOSTrenchDeposition/CMakeLists.txt

@@ -1,19 +1,24 @@
-project(TEOSTrenchDeposition LANGUAGES CXX)
+cmake_minimum_required(VERSION 3.12)
+project("TEOSDeposition")
 
-add_executable(singleTEOS "singleTEOS.cpp")
-target_link_libraries(singleTEOS PRIVATE ViennaPS)
+# set default build type
+SET(DEFAULT_BUILD_TYPE "Release")
+if(NOT CMAKE_BUILD_TYPE AND NOT CMAKE_CONFIGURATION_TYPES)
+  message(STATUS "Setting build type to '${DEFAULT_BUILD_TYPE}' as none was specified.")
+  set(CMAKE_BUILD_TYPE "${DEFAULT_BUILD_TYPE}" CACHE
+      STRING "Choose the type of build." FORCE)
+  # Set the possible values of build type for cmake-gui
+  set_property(CACHE CMAKE_BUILD_TYPE PROPERTY STRINGS
+    "Debug" "Release" "MinSizeRel" "RelWithDebInfo")
+endif()
 
-configure_file(singleTEOS.py ${CMAKE_CURRENT_BINARY_DIR}/singleTEOS.py COPYONLY)
-configure_file(singleTEOS_config.txt ${CMAKE_CURRENT_BINARY_DIR}/singleTEOS_config.txt COPYONLY)
+set (CMAKE_CXX_STANDARD 17)
 
-add_dependencies(ViennaPS_Examples singleTEOS)
-setup_windows_bat(singleTEOS ${VIENNAPS_EXAMPLES_LIB})
+list(APPEND CMAKE_PREFIX_PATH "/home/filipov/Software/ViennaTools/VPS")
 
-add_executable(multiTEOS "multiTEOS.cpp")
-target_link_libraries(multiTEOS PRIVATE ViennaPS)
+find_package(ViennaPS)
 
-configure_file(multiTEOS.py ${CMAKE_CURRENT_BINARY_DIR}/multiTEOS.py COPYONLY)
+# CMake target
+add_executable(TEOSDeposition multiTEOS.cpp)
+target_link_libraries(TEOSDeposition PUBLIC ViennaTools::ViennaPS)
 configure_file(multiTEOS_config.txt ${CMAKE_CURRENT_BINARY_DIR}/multiTEOS_config.txt COPYONLY)
-
-add_dependencies(ViennaPS_Examples multiTEOS)
-setup_windows_bat(multiTEOS ${VIENNAPS_EXAMPLES_LIB})