diff --git a/src/pymatlib/core/yaml_parser.py b/src/pymatlib/core/yaml_parser.py
index f96957d69bf80d45cd1eecf85e00b1423afc2007..fc514fb1609acec232e57c5f3d052ddf9d95c2c0 100644
--- a/src/pymatlib/core/yaml_parser.py
+++ b/src/pymatlib/core/yaml_parser.py
@@ -250,7 +250,7 @@ class MaterialConfigParser:
'heat_conductivity': (1, 600), # W/(m·K)
'kinematic_viscosity': (1e-8, 1e-3), # m²/s
'latent_heat_of_fusion': (0, 600000), # J/kg
- 'latent_heat_of_vaporization': (50000, 12000000), # J/kg
+ 'latent_heat_of_vaporization': (0, 12000000), # J/kg
'specific_enthalpy': (0, 15000000), # J/kg
'surface_tension': (0.1, 3.0), # N/m
'thermal_diffusivity': (1e-8, 1e-3), # m²/s
@@ -564,7 +564,9 @@ class MaterialConfigParser:
categorized_properties = self._categorize_properties(properties)
for prop_type, prop_list in categorized_properties.items():
for prop_name, config in prop_list:
- if prop_type == PropertyType.CONSTANT:
+ if prop_type == PropertyType.CONSTANT and prop_name in ['latent_heat_of_fusion', 'latent_heat_of_vaporization']:
+ self._process_latent_heat_constant(alloy, prop_name, config, T)
+ elif prop_type == PropertyType.CONSTANT:
self._process_constant_property(alloy, prop_name, config)
elif prop_type == PropertyType.FILE:
self._process_file_property(alloy, prop_name, config, T)
@@ -577,6 +579,43 @@ class MaterialConfigParser:
########################################################################################################################
+ def _process_latent_heat_constant(self, alloy: Alloy, prop_name: str, prop_config: Union[float, str], T: Union[float, sp.Symbol]) -> None:
+ """
+ Process latent heat properties when provided as constants.
+ This automatically expands them to key-val pairs using solidus and liquidus temperatures.
+ Args:
+ alloy (Alloy): The alloy object to update.
+ prop_name (str): The name of the property to set ('latent_heat_of_fusion' or 'latent_heat_of_vaporization').
+ prop_config (Union[float, str]): The constant latent heat value.
+ T (Union[float, sp.Symbol]): Temperature value or symbol.
+ """
+ try:
+ # Convert to float
+ latent_heat_value = float(prop_config)
+ # Validate the value
+ self._validate_property_value(prop_name, latent_heat_value)
+ # Create expanded key-val configuration
+ if prop_name == 'latent_heat_of_fusion':
+ # For fusion, heat is absorbed between solidus and liquidus
+ expanded_config = {
+ 'key': ['solidus_temperature', 'liquidus_temperature'],
+ 'val': [0, latent_heat_value]
+ }
+ elif prop_name == 'latent_heat_of_vaporization':
+ # For vaporization, heat is absorbed at boiling point
+ # Assume boiling happens after liquidus temperature
+ expanded_config = {
+ 'key': ['liquidus_temperature', 'liquidus_temperature+300'],
+ 'val': [0, latent_heat_value]
+ }
+ else:
+ raise ValueError(f"Unsupported latent heat property: {prop_name}")
+ # Process using the standard key-val method
+ self._process_key_val_property(alloy, prop_name, expanded_config, T)
+ except (ValueError, TypeError) as e:
+ error_msg = f"Failed to process {prop_name} constant \n -> {e}"
+ raise ValueError(error_msg) from e
+
@staticmethod
def _process_constant_property(alloy: Alloy, prop_name: str, prop_config: Union[float, str]) -> None:
"""
@@ -719,10 +758,38 @@ class MaterialConfigParser:
processed_key = []
for k in key_def:
if isinstance(k, str):
+ # Handle base temperature references
if k == 'solidus_temperature':
processed_key.append(alloy.temperature_solidus)
elif k == 'liquidus_temperature':
processed_key.append(alloy.temperature_liquidus)
+ # Handle temperature expressions like 'liquidus_temperature+300'
+ elif '+' in k:
+ # Split the string into base and offset
+ base, offset = k.split('+')
+ offset_value = float(offset)
+ # Get the base temperature
+ if base == 'solidus_temperature':
+ base_value = alloy.temperature_solidus
+ elif base == 'liquidus_temperature':
+ base_value = alloy.temperature_liquidus
+ else:
+ base_value = float(base)
+ # Calculate the final temperature
+ processed_key.append(base_value + offset_value)
+ elif '-' in k:
+ # Split the string into base and offset
+ base, offset = k.split('-')
+ offset_value = -float(offset)
+ # Get the base temperature
+ if base == 'solidus_temperature':
+ base_value = alloy.temperature_solidus
+ elif base == 'liquidus_temperature':
+ base_value = alloy.temperature_liquidus
+ else:
+ base_value = float(base)
+ # Calculate the final temperature
+ processed_key.append(base_value + offset_value)
else:
processed_key.append(float(k))
else:
diff --git a/src/pymatlib/data/alloys/SS304L/SS304L.yaml b/src/pymatlib/data/alloys/SS304L/SS304L.yaml
index d417e8a9f1ee737c9397044923c3bc6876e0d23b..73d0c501da24efaf28e7f5b73bdf4dd07a67dc66 100644
--- a/src/pymatlib/data/alloys/SS304L/SS304L.yaml
+++ b/src/pymatlib/data/alloys/SS304L/SS304L.yaml
@@ -182,9 +182,14 @@ properties:
# temp_col: T (K)
# prop_col: Latent heat (J/Kg)
#OR
- latent_heat_of_fusion:
- key: [solidus_temperature, liquidus_temperature]
- val: [0, 171401]
+ latent_heat_of_fusion: 171401.
+
+
+ latent_heat_of_vaporization: 171401.
+ #OR
+ # latent_heat_of_vaporization:
+ # key: [liquidus_temperature, liquidus_temperature+300]
+ # val: [0, 171401]
# heat_conductivity: