diff --git a/src/pymatlib/data/alloys/SS304L/SS304L.yaml b/src/pymatlib/data/alloys/SS304L/SS304L.yaml index 904e0b98f29d1748f9152ddb641b4146cb41c580..6b0e2e81787287496372f343f5688cf561459e8c 100644 --- a/src/pymatlib/data/alloys/SS304L/SS304L.yaml +++ b/src/pymatlib/data/alloys/SS304L/SS304L.yaml @@ -128,6 +128,9 @@ composition: solidus_temperature: 1605. liquidus_temperature: 1735. +# temperature_range: [300, 3000, 541] # 541 (int) -> points +#OR +temperature_range: [3000, 300, -5.0] # 5.0 (float) -> increment properties: # energy_density: @@ -136,10 +139,9 @@ properties: #OR # energy_density: compute #OR - energy_density: - compute: total_enthalpy # Explicit model selection + energy_density: compute # User can specify either: - energy_density_temperature_array: (300, 3000, 541) # int for number of points + # energy_density_temperature_array: (300, 3000, 541) # int for number of points # OR #energy_density_temperature_array: (300, 3000, 5.0) # float for delta (increment) # save the energy_density and temperature as arrays always. diff --git a/src/pymatlib/data/alloys/SS304L/SS304L_1.yaml b/src/pymatlib/data/alloys/SS304L/SS304L_1.yaml index 32d73be5b324ccbea0d4e33a3fb7614137b56cb7..0aaa9402c0487715f437ad983d76ebd752a1b7c6 100644 --- a/src/pymatlib/data/alloys/SS304L/SS304L_1.yaml +++ b/src/pymatlib/data/alloys/SS304L/SS304L_1.yaml @@ -13,6 +13,9 @@ composition: solidus_temperature: 1605. liquidus_temperature: 1735. +# temperature_range: [300, 3000, 541] # 541 (int) -> points +#OR +temperature_range: [300, 3000, 5.0] # 5.0 (float) -> increment properties: # energy_density: @@ -20,17 +23,12 @@ properties: # val: [...] #OR energy_density: compute - # User can specify either: - energy_density_temperature_array: (300, 3000, 540) # int for number of points - # OR - #energy_density_temperature_array: (300, 3000, 5.0) # float for delta (increment) - # save the energy_density and temperature as arrays always. - density: 7950 + density: 7950. #OR #density: compute # computed by thermal expansion coefficient, should be acceptable even if TEC is defined later in the file - #base_temperature: 2273 + #base_temperature: 2273. #base_density: 6.591878918e3 #OR # density: density_temperature_edited.txt @@ -38,6 +36,12 @@ properties: thermal_expansion_coefficient: 1e-6 + specific_enthalpy: + file: ./304L_Erstarrungsdaten_edited.xlsx + temp_col: T (K) + prop_col: Enthalpy (J/kg) + + latent_heat_of_fusion: key: [solidus_temperature, liquidus_temperature] val: [171401, 0] @@ -54,7 +58,7 @@ properties: # val: [600, 800] #OR heat_capacity: - key: (1000, 200) # generates equidistant values starting 1000 with an increment of 200 until the length of val + key: (1000, 150) # generates equidistant values starting 1000 with an increment of 200 until the length of val # [1000, 1200, 1400, 1600, 1800, 2000, 2200, 2400, 2600, 2800, 3000, 3200] val: [580, 590, 600, 600, 600, 610, 620, 630, 660, 700, 750, 750] #OR diff --git a/src/pymatlib/data/alloys/SS304L/SS304L_comprehensive.yaml b/src/pymatlib/data/alloys/SS304L/SS304L_comprehensive.yaml index 7d2278a33c7158e6e4304c4035571d21481ecc5d..9e579c59cda81d0951b5d6b320cdbe418c8c5f8b 100644 --- a/src/pymatlib/data/alloys/SS304L/SS304L_comprehensive.yaml +++ b/src/pymatlib/data/alloys/SS304L/SS304L_comprehensive.yaml @@ -10,12 +10,16 @@ composition: solidus_temperature: 1605. liquidus_temperature: 1735. +# temperature_range: [300, 3000, 541] # 541 (int) -> points +#OR +temperature_range: [300, 3000, 5.0] # 5.0 (float) -> increment + properties: # 1. Constant float property density: compute # kg/m³ # 2.1 File-based property (simple format) - heat_conductivity: ./heat_conductivity_temperature.txt + # heat_conductivity: ./heat_conductivity_temperature.txt # 2.2 File-based property (advanced format) specific_enthalpy: @@ -23,6 +27,11 @@ properties: temp_col: T (K) prop_col: Enthalpy (J/kg) + heat_conductivity: + file: ./304L_Erstarrungsdaten_edited.xlsx + temp_col: T (K) + prop_col: Thermal conductivity (W/(m*K))-TOTAL-10000.0(K/s) + # 3.1 Key-val pair with explicit temperature list heat_capacity: key: [1000, 1200, 1400, 1600, 1800, 2000, 2200, 2400, 2600, 2800] @@ -47,14 +56,7 @@ properties: thermal_diffusivity: compute # k/(rho*cp) # 4.2 Computed property (advanced format with model selection) - energy_density: - compute: total_enthalpy - - # Required for energy_density computation (with number of points) - # energy_density_temperature_array: (300, 3000, 541) - - # Alternative specification (with temperature increment) - energy_density_temperature_array: (300, 3000, 5.0) + energy_density: compute # Properties required for density computation by thermal expansion base_temperature: 2273.