feat: Temperature dependent single phase thermal conductivity (#3135)

GEOS-DEV · Sep 17, 2024 · bf78e30 · bf78e30
1 parent 9eac288
commit bf78e30
Show file tree

Hide file tree

Showing 72 changed files with 12,877 additions and 8,314 deletions.
diff --git a/.integrated_tests.yaml b/.integrated_tests.yaml
@@ -1,6 +1,6 @@
 baselines:
   bucket: geosx
-  baseline: integratedTests/baseline_integratedTests-pr3300-7077-1277f18
+  baseline: integratedTests/baseline_integratedTests-pr3135-7235-53174a0
 
 allow_fail:
   all: ''

diff --git a/BASELINE_NOTES.md b/BASELINE_NOTES.md
@@ -6,10 +6,16 @@ This file is designed to track changes to the integrated test baselines.
 Any developer who updates the baseline ID in the .integrated_tests.yaml file is expected to create an entry in this file with the pull request number, date, and their justification for rebaselining.
 These notes should be in reverse-chronological order, and use the following time format: (YYYY-MM-DD).
 
+PR #3135 (2024-09-04)
+======================
+Temperature dependent single phase thermal conductivity. Rebaseline all thermal cases. 
+
+
 PR #3294 (2024-09-01)
 ======================
 Re-enable enforcement of wave propagation integrated test pass.
 
+
 PR #3300 (2024-08-28)
 ======================
 Re-enable floating point exceptions. Rebaseline due to minor changing default value of maxRelativeCompDensChange from 1.7976931348623157e+308 to 1.7976931348623157e+208. 

diff --git a/inputFiles/singlePhaseFlow/3D_10x10x10_thermalCompressible_base.xml b/inputFiles/singlePhaseFlow/3D_10x10x10_thermalCompressible_base.xml
@@ -83,9 +83,9 @@
       specificHeatCapacity="4.0e3"
       referenceInternalEnergy="1.1e6"/>
 
-    <SinglePhaseConstantThermalConductivity
+    <SinglePhaseThermalConductivity
       name="thermalCond"
-      thermalConductivityComponents="{ 3.5, 3.5, 3.5 }"/>
+      defaultThermalConductivityComponents="{ 3.5, 3.5, 3.5 }"/>
 
   </Constitutive>
 

diff --git a/inputFiles/singlePhaseFlow/thermalCompressible_2d_base.xml b/inputFiles/singlePhaseFlow/thermalCompressible_2d_base.xml
@@ -11,7 +11,7 @@
       targetRegions="{ region }">
       <NonlinearSolverParameters
         newtonTol="1.0e-6"
-        newtonMaxIter="10"/>
+        newtonMaxIter="100"/>
       <LinearSolverParameters
         directParallel="0"/>
     </SinglePhaseFVM>
@@ -34,7 +34,7 @@
       solidInternalEnergyModelName="rockInternalEnergy_linear"/>
 
     <CompressibleSolidConstantPermeability
-      name="rock_nonLinear"
+      name="rock_temperatureDependentVolumetricHeatCapacity"
       solidModelName="nullSolid"
       porosityModelName="rockPorosity"
       permeabilityModelName="rockPerm"
@@ -49,13 +49,13 @@
       referencePressure="0.0"
       compressibility="3.0e-11"/>
 
-	<!-- SPHINX_SolidInternalEnergy -->
+	<!-- SPHINX_SolidInternalEnergy_linear -->
     <SolidInternalEnergy
       name="rockInternalEnergy_linear"
-      referenceVolumetricHeatCapacity="4.56e6"
+      referenceVolumetricHeatCapacity="1.0e6"
       referenceTemperature="0"
       referenceInternalEnergy="0"/>
-	<!-- SPHINX_SolidInternalEnergyEnd -->
+	<!-- SPHINX_SolidInternalEnergy_linearEnd -->
 
     <!-- SPHINX_SolidInternalEnergy_nonLinear -->
     <SolidInternalEnergy
@@ -84,11 +84,21 @@
       referenceInternalEnergy="0.99"/>
 	<!-- SPHINX_ThermalCompressibleSinglePhaseFluidEnd -->
 
-	<!-- SPHINX_SinglePhaseConstantThermalConductivity -->
-    <SinglePhaseConstantThermalConductivity
-      name="thermalCond"
-      thermalConductivityComponents="{ 1.66, 1.66, 1.66 }"/>
-	<!-- SPHINX_SinglePhaseConstantThermalConductivityEnd -->    
+    <!-- SPHINX_SinglePhaseThermalConductivity_linear -->
+    <SinglePhaseThermalConductivity
+      name="thermalCond_linear"
+      defaultThermalConductivityComponents="{ 1.66, 1.66, 1.66 }"
+      thermalConductivityGradientComponents="{ 0, 0, 0 }"
+      referenceTemperature="0"/>
+    <!-- SPHINX_SinglePhaseThermalConductivity_linearEnd -->    
+
+	<!-- SPHINX_SinglePhaseThermalConductivity_nonLinear -->
+    <SinglePhaseThermalConductivity
+      name="thermalCond_nonLinear"
+      defaultThermalConductivityComponents="{ 1.5, 1.5, 1.5 }"
+      thermalConductivityGradientComponents="{ -12e-4, -12e-4, -12e-4 }"
+      referenceTemperature="20"/>
+	<!-- SPHINX_SinglePhaseThermalConductivity_nonLinearEnd -->    
 
   </Constitutive>
 
@@ -125,21 +135,21 @@
       setNames="{ all }"
       objectPath="ElementRegions/region/cb"
       fieldName="temperature"
-      scale="0"/>
+      scale="100"/>
 
     <FieldSpecification
       name="sinkTemperature"
       setNames="{ rpos }"       
       objectPath="faceManager"
       fieldName="temperature"
-      scale="0"/>
+      scale="100"/>
 
     <FieldSpecification
       name="sourceTemperature"
       setNames="{ rneg }"     
       objectPath="faceManager"
       fieldName="temperature"
-      scale="100.0"/>
+      scale="-20.0"/>
 	<!-- SPHINX_FieldSpecificationImposedTemperatureEnd -->
 
   </FieldSpecifications>

diff --git a/inputFiles/singlePhaseFlow/thermalCompressible_2d_benchmark.xml b/inputFiles/singlePhaseFlow/thermalCompressible_2d_benchmark.xml
@@ -9,7 +9,7 @@
     <CellElementRegion
       name="region"
       cellBlocks="{ cb }"
-      materialList="{ fluid, rock_linear, thermalCond }"/>
+      materialList="{ fluid, rock_linear, thermalCond_linear }"/>
   </ElementRegions>
 
   <Mesh>

diff --git a/inputFiles/singlePhaseFlow/thermalCompressible_2d_smoke.xml b/inputFiles/singlePhaseFlow/thermalCompressible_2d_smoke.xml
@@ -9,7 +9,7 @@
     <CellElementRegion
       name="region"
       cellBlocks="{ cb }"
-      materialList="{ fluid, rock_nonLinear, thermalCond }"/>
+      materialList="{ fluid, rock_linear, thermalCond_linear }"/>
   </ElementRegions>
 
   <Mesh>

diff --git a/...alCompressible_nonLinear_2d_benchmark.xml → ...glePhaseThermalConductivity_benchmark.xml b/...alCompressible_nonLinear_2d_benchmark.xml → ...glePhaseThermalConductivity_benchmark.xml
@@ -9,7 +9,7 @@
     <CellElementRegion
       name="region"
       cellBlocks="{ cb }"
-      materialList="{ fluid, rock_nonLinear, thermalCond }"/>
+      materialList="{ fluid, rock_linear, thermalCond_nonLinear }"/>
   </ElementRegions>
 
   <Mesh>

diff --git a/...hermalCompressible_nonLinear_2d_smoke.xml → ...tSinglePhaseThermalConductivity_smoke.xml b/...hermalCompressible_nonLinear_2d_smoke.xml → ...tSinglePhaseThermalConductivity_smoke.xml
@@ -9,7 +9,7 @@
     <CellElementRegion
       name="region"
       cellBlocks="{ cb }"
-      materialList="{ fluid, rock_nonLinear, thermalCond }"/>
+      materialList="{ fluid, rock_linear, thermalCond_nonLinear }"/>
   </ElementRegions>
 
   <Mesh>

diff --git a/...glePhaseFlow/thermalCompressible_temperatureDependentVolumetricHeatCapacity_benchmark.xml b/...glePhaseFlow/thermalCompressible_temperatureDependentVolumetricHeatCapacity_benchmark.xml
@@ -0,0 +1,50 @@
+<?xml version="1.0" ?>
+
+<Problem>
+  <Included>
+    <File name="./thermalCompressible_2d_base.xml" />
+  </Included>
+
+  <ElementRegions>
+    <CellElementRegion
+      name="region"
+      cellBlocks="{ cb }"
+      materialList="{ fluid, rock_temperatureDependentVolumetricHeatCapacity, thermalCond_linear }"/>
+  </ElementRegions>
+
+  <Mesh>
+    <InternalWellbore
+      name="mesh1"
+      elementTypes="{ C3D8 }"
+      radius="{ 0.1, 0.106, 0.133, 1.0 }"
+      theta="{ 0, 90 }"
+      zCoords="{ 0, 0.1 }"
+      nr="{ 3, 10, 50 }"
+      nt="{ 80 }"
+      nz="{ 1 }"
+      trajectory="{ { 0.0, 0.0, 0.0 },
+                    { 0.0, 0.0, 0.1 } }"
+      autoSpaceRadialElems="{ 0, 0, 1 }"
+      cellBlockNames="{ cb }"
+      />
+  </Mesh>
+
+  <Events
+    maxTime="1e5">
+    <PeriodicEvent
+      name="outputs"
+      timeFrequency="1e4"
+      target="/Outputs/vtkOutput"/>
+
+    <PeriodicEvent
+      name="solverApplications"
+      maxEventDt="1e3"
+      target="/Solvers/singleFlow"/>
+
+    <!--PeriodicEvent
+      name="restarts"
+      timeFrequency="1e5"
+      target="/Outputs/restartOutput"/-->
+  </Events>
+
+</Problem>
diff --git a/.../singlePhaseFlow/thermalCompressible_temperatureDependentVolumetricHeatCapacity_smoke.xml b/.../singlePhaseFlow/thermalCompressible_temperatureDependentVolumetricHeatCapacity_smoke.xml
@@ -0,0 +1,50 @@
+<?xml version="1.0" ?>
+
+<Problem>
+  <Included>
+    <File name="./thermalCompressible_2d_base.xml" />
+  </Included>
+
+  <ElementRegions>
+    <CellElementRegion
+      name="region"
+      cellBlocks="{ cb }"
+      materialList="{ fluid, rock_temperatureDependentVolumetricHeatCapacity, thermalCond_linear }"/>
+  </ElementRegions>
+
+  <Mesh>
+    <InternalWellbore
+      name="mesh1"
+      elementTypes="{ C3D8 }"
+      radius="{ 0.1, 0.106, 0.133, 1.0 }"
+      theta="{ 0, 90 }"
+      zCoords="{ 0, 0.1 }"
+      nr="{ 3, 10, 50 }"
+      nt="{ 8 }"
+      nz="{ 1 }"
+      trajectory="{ { 0.0, 0.0, 0.0 },
+                    { 0.0, 0.0, 0.1 } }"
+      autoSpaceRadialElems="{ 0, 0, 1 }"
+      cellBlockNames="{ cb }"
+      />
+  </Mesh>
+
+  <Events
+    maxTime="3e3">
+    <PeriodicEvent
+      name="outputs"
+      timeFrequency="1e3"
+      target="/Outputs/vtkOutput"/>
+
+    <PeriodicEvent
+      name="solverApplications"
+      maxEventDt="1e3"
+      target="/Solvers/singleFlow"/>
+
+    <PeriodicEvent
+      name="restarts"
+      timeFrequency="1e3"
+      target="/Outputs/restartOutput"/>
+  </Events>
+
+</Problem>
diff --git a/inputFiles/singlePhaseFlow/thermalSinglePhaseFlow.ats b/inputFiles/singlePhaseFlow/thermalSinglePhaseFlow.ats
@@ -22,9 +22,17 @@ decks = [
         check_step=20,
         restartcheck_params=RestartcheckParameters(**restartcheck_params)),
     TestDeck(
-        name="thermalCompressible_nonLinear_2d_smoke",
+        name="thermalCompressible_temperatureDependentVolumetricHeatCapacity_smoke",
         description=
-        'non-linear thermal diffusion around a wellbore)',
+        'a wellbore problem with temperature dependent volumetric heat capacity)',
+        partitions=((1, 1, 1), (2, 2, 1)),
+        restart_step=1,
+        check_step=2,
+        restartcheck_params=RestartcheckParameters(**restartcheck_params)),
+    TestDeck(
+        name="thermalCompressible_temperatureDependentSinglePhaseThermalConductivity_smoke",
+        description=
+        'a wellbore problem with temperature dependent thermal conductivity)',
         partitions=((1, 1, 1), (2, 2, 1)),
         restart_step=1,
         check_step=2,

diff --git a/...iles/thermalSinglePhaseFlowFractures/egsCollab_thermalFlow/egsCollab_thermalFlow_base.xml b/...iles/thermalSinglePhaseFlowFractures/egsCollab_thermalFlow/egsCollab_thermalFlow_base.xml
@@ -60,9 +60,9 @@
        specificHeatCapacity="4.2e6"
        referenceInternalEnergy="0.99"/>
 
-     <SinglePhaseConstantThermalConductivity
+     <SinglePhaseThermalConductivity
        name="thermalCond"
-       thermalConductivityComponents="{ 3.81, 3.81, 3.81 }"/>  
+       defaultThermalConductivityComponents="{ 3.81, 3.81, 3.81 }"/>  
 
      <CompressibleSolidParallelPlatesPermeability
        name="fractureFilling"

diff --git a/inputFiles/thermalSinglePhaseFlowFractures/fractureMatrixThermalFlow_base.xml b/inputFiles/thermalSinglePhaseFlowFractures/fractureMatrixThermalFlow_base.xml
@@ -27,9 +27,9 @@
       specificHeatCapacity="1.672e2"
       referenceInternalEnergy="0.001"/>
 
-    <SinglePhaseConstantThermalConductivity
+    <SinglePhaseThermalConductivity
       name="thermalCond"
-      thermalConductivityComponents="{ 1, 1, 1 }"/>
+      defaultThermalConductivityComponents="{ 1, 1, 1 }"/>
 
     <CompressibleSolidParallelPlatesPermeability
       name="fractureFilling"

diff --git a/inputFiles/thermoPoromechanics/ThermoPoroElastic_consolidation_base.xml b/inputFiles/thermoPoromechanics/ThermoPoroElastic_consolidation_base.xml
@@ -73,9 +73,9 @@
       name="rockPerm"
       permeabilityComponents="{ 4.0e-9, 4.0e-9, 4.0e-9 }"/>
 
-    <SinglePhaseConstantThermalConductivity
+    <SinglePhaseThermalConductivity
       name="thermalCond"
-      thermalConductivityComponents="{ 836, 836, 836 }"/>
+      defaultThermalConductivityComponents="{ 836, 836, 836 }"/>
     <!-- SPHINX_PERMEABILITY_CONDUCTIVITY_END -->
 
   </Constitutive>

diff --git a/inputFiles/thermoPoromechanicsFractures/ThermoPoroElastic_base.xml b/inputFiles/thermoPoromechanicsFractures/ThermoPoroElastic_base.xml
@@ -31,9 +31,9 @@
       specificHeatCapacity="1.672e2"
       referenceInternalEnergy="0.001"/>
 
-    <SinglePhaseConstantThermalConductivity
+    <SinglePhaseThermalConductivity
       name="thermalCond"
-      thermalConductivityComponents="{ 1, 1, 1 }"/>
+      defaultThermalConductivityComponents="{ 1, 1, 1 }"/>
 
     <SolidInternalEnergy
       name="rockInternalEnergy"

diff --git a/inputFiles/thermoPoromechanicsFractures/ThermoPoroElastic_efem-edfm_eggModel_small.xml b/inputFiles/thermoPoromechanicsFractures/ThermoPoroElastic_efem-edfm_eggModel_small.xml
@@ -236,9 +236,9 @@
       specificHeatCapacity="1.672e2"
       referenceInternalEnergy="0.001"/> 
 
-    <SinglePhaseConstantThermalConductivity
+    <SinglePhaseThermalConductivity
       name="thermalCond"
-      thermalConductivityComponents="{ 10, 10, 10 }"/>   
+      defaultThermalConductivityComponents="{ 10, 10, 10 }"/>   
 
     <BiotPorosity
       name="rockPorosity"

diff --git a/inputFiles/wellbore/CasedThermoElasticWellbore_ImperfectInterfaces_base.xml b/inputFiles/wellbore/CasedThermoElasticWellbore_ImperfectInterfaces_base.xml
@@ -202,22 +202,22 @@
     <!-- SPHINX_PermeabilityPropertiesEnd -->
 
 
-    <SinglePhaseConstantThermalConductivity
+    <SinglePhaseThermalConductivity
       name="casingThermalCond"
-      thermalConductivityComponents="{ 15, 15, 15 }"/>
+      defaultThermalConductivityComponents="{ 15, 15, 15 }"/>
 
-    <SinglePhaseConstantThermalConductivity
+    <SinglePhaseThermalConductivity
       name="cementThermalCond"
-      thermalConductivityComponents="{ 1.0, 1.0, 1.0 }"/>
+      defaultThermalConductivityComponents="{ 1.0, 1.0, 1.0 }"/>
 
-    <SinglePhaseConstantThermalConductivity
+    <SinglePhaseThermalConductivity
       name="rockThermalCond"
-      thermalConductivityComponents="{ 1.66, 1.66, 1.66 }"/>
+      defaultThermalConductivityComponents="{ 1.66, 1.66, 1.66 }"/>
 
     <!-- SPHINX_ContactThermalProperties -->
-    <SinglePhaseConstantThermalConductivity
+    <SinglePhaseThermalConductivity
       name="contactThermalCond"
-      thermalConductivityComponents="{ 1.0, 1.0, 1.0 }"/>
+      defaultThermalConductivityComponents="{ 1.0, 1.0, 1.0 }"/>
     <!-- SPHINX_ContactThermalPropertiesEnd -->
 
     <!-- SPHINX_FluidProperties -->

diff --git a/inputFiles/wellbore/CasedThermoElasticWellbore_base.xml b/inputFiles/wellbore/CasedThermoElasticWellbore_base.xml
@@ -142,17 +142,17 @@
     <!-- SPHINX_PermeabilityPropertiesEnd -->
 
     <!-- SPHINX_ThermalProperties -->
-    <SinglePhaseConstantThermalConductivity
+    <SinglePhaseThermalConductivity
       name="casingThermalCond"
-      thermalConductivityComponents="{ 15, 15, 15 }"/>
+      defaultThermalConductivityComponents="{ 15, 15, 15 }"/>
 
-    <SinglePhaseConstantThermalConductivity
+    <SinglePhaseThermalConductivity
       name="cementThermalCond"
-      thermalConductivityComponents="{ 1.0, 1.0, 1.0 }"/>
+      defaultThermalConductivityComponents="{ 1.0, 1.0, 1.0 }"/>
 
-    <SinglePhaseConstantThermalConductivity
+    <SinglePhaseThermalConductivity
       name="rockThermalCond"
-      thermalConductivityComponents="{ 1.66, 1.66, 1.66 }"/>
+      defaultThermalConductivityComponents="{ 1.66, 1.66, 1.66 }"/>
     <!-- SPHINX_ThermalPropertiesEnd -->
 
     <!-- SPHINX_FluidProperties -->