AMMap/publication_input.yaml at main · PhasesResearchLab/AMMap · GitHub

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name: multi_system_equilibrium_and_scheil
nDivisionsPerDimension: 36
elementalSpaces:
  - name: CrTiV
    tdb: "ammap/databases/Cr-Ti-V_ghosh2002.tdb"
    elements: [Cr, Ti, V]

  - name: NiCrV
    tdb: "ammap/databases/Co-Cr-Fe-Ni-V_choi2019.TDB"
    elements: [Ni, Cr, V]

  - name: CrFeV
    tdb: "ammap/databases/Co-Cr-Fe-Ni-V_choi2019.TDB"
    elements: [Cr,Fe, V]

  - name: NiCrFe
    tdb: "ammap/databases/Cr-Fe-Ni_miettinen1999.tdb"
    elements: [Ni, Cr, Fe]

  - name: CrFeTi
    tdb: "ammap/databases/Cr-Fe-Ti_wang2017.tdb"
    elements: [Cr, Fe, Ti]

  - name: CrNiTi
    tdb: "ammap/databases/Cr-Ni-Ti_huang2018.tdb"
    elements: [Cr, Ni, Ti]

  - name: FeNiTi
    tdb: "ammap/databases/Fe-Ni-Ti_dekeyzer2009.tdb"
    elements: [Fe, Ni, Ti]

  - name: FeNiV
    tdb: "ammap/databases/Fe-Ni-V_zhao2014.tdb"
    elements: [Fe, Ni, V]

  - name: FeTiV
    tdb: "ammap/databases/Fe-Ti-V_guo2012.TDB"
    elements: [Fe,Ti,V]

  - name: NiTiV
    tdb: "ammap/databases/Ni-Ti-V_zou2018.tdb"
    elements: [Ni,Ti,V]
designSpaces:
  - name: CrTiV
    elementalSpace: CrTiV
    components:
      - [1, 0, 0]  # Cr
      - [0, 1, 0]  # Ti
      - [0, 0, 1]  # V
  - stitch: Cr-Ti
    targetDesignSpace: CrFeTi, CrNiTi
  - stitch: Cr-V
    targetDesignSpace: CrFeV, CrNiV
  - stitch: Ti-V
    targetDesignSpace: FeTiV, NiTiV

  - name: NiCrV
    elementalSpace: NiCrV
    components:
      - [1, 0, 0]  # Ni
      - [0, 1, 0]  # Cr
      - [0, 0, 1]  # V

  - name: CrFeV
    elementalSpace: CrFeV
    components:
      - [1, 0, 0]  # Cr
      - [0, 1, 0]  # Fe
      - [0, 0, 1]  # V

  - name: NiCrFe
    elementalSpace: NiCrFe
    components:
      - [1, 0, 0]  # Ni
      - [0, 1, 0]  # Cr
      - [0, 0, 1]  # Fe

  - name: CrFeTi
    elementalSpace: CrFeTi
    components:
      - [1, 0, 0]  # Cr
      - [0, 1, 0]  # Fe
      - [0, 0, 1]  # Ti

  - name: CrNiTi
    elementalSpace: CrNiTi
    components:
      - [1, 0, 0]  # Cr
      - [0, 1, 0]  # Ni
      - [0, 0, 1]  # Ti

  - name: FeNiTi
    elementalSpace: FeNiTi
    components:
      - [1, 0, 0]  # Fe
      - [0, 1, 0]  # Ni
      - [0, 0, 1]  # Ti

  - name: FeNiV
    elementalSpace: FeNiV
    components:
      - [1, 0, 0]  # Fe
      - [0, 1, 0]  # Ni
      - [0, 0, 1]  # V

  - name: FeTiV
    elementalSpace: FeTiV
    components:
      - [1, 0, 0]  # Fe
      - [0, 1, 0]  # Ti
      - [0, 0, 1]  # V

  - name: NiTiV
    elementalSpace: NiTiV
    components:
      - [1, 0, 0]  # Ni
      - [0, 1, 0]  # Ti
      - [0, 0, 1]  # V
constraints:
  - type: equilibrium
    temperature: 1000
    pressure: 101325
    feasiblePhases:
     - FCC_A1
     - BCC_A2
     - HCP_A3
  - type: scheil
    startTemperature: 2500
    liquidPhase: 'LIQUID'
    step_temperature: 1
  # - type: pathAlgorithm
  #   name: DijkstraFinder()

pathPlan:
  - designSpace: CrFeNi
    composition: [0.18, 0.74, 0.08]
  - composition: [0.0, 0.0, 0.0, 0.95, 0.05]