Added 2 DOFs for He on dislocations and GB (ORNL-Fusion#112).

vshah3011 · Jul 13, 2023 · 7b713c3 · 7b713c3
1 parent 7a1c4fb
commit 7b713c3
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Showing 17 changed files with 963 additions and 38 deletions.
diff --git a/xolotl/core/include/xolotl/core/network/PSIReaction.h b/xolotl/core/include/xolotl/core/network/PSIReaction.h
@@ -76,6 +76,57 @@ class PSISinkReaction :
 	double
 	computeRate(IndexType gridIndex, double time = 0.0);
 };
+
+template <typename TSpeciesEnum>
+class PSIDisloSinkReaction :
+	public DisloSinkReaction<PSIReactionNetwork<TSpeciesEnum>,
+		PSIDisloSinkReaction<TSpeciesEnum>>
+{
+public:
+	using Superclass = DisloSinkReaction<PSIReactionNetwork<TSpeciesEnum>,
+		PSIDisloSinkReaction<TSpeciesEnum>>;
+
+	using Superclass::Superclass;
+	using IndexType = typename Superclass::IndexType;
+
+	KOKKOS_INLINE_FUNCTION
+	double
+	getSinkBias();
+
+	KOKKOS_INLINE_FUNCTION
+	double
+	getSinkStrength();
+
+	KOKKOS_INLINE_FUNCTION
+	double
+	computeRate(IndexType gridIndex, double time = 0.0);
+};
+
+template <typename TSpeciesEnum>
+class PSIGBSinkReaction :
+	public GBSinkReaction<PSIReactionNetwork<TSpeciesEnum>,
+		PSIGBSinkReaction<TSpeciesEnum>>
+{
+public:
+	using Superclass = GBSinkReaction<PSIReactionNetwork<TSpeciesEnum>,
+		PSIGBSinkReaction<TSpeciesEnum>>;
+
+	using Superclass::Superclass;
+	using IndexType = typename Superclass::IndexType;
+
+	KOKKOS_INLINE_FUNCTION
+	double
+	getSinkBias();
+
+	KOKKOS_INLINE_FUNCTION
+	double
+	getSinkStrength();
+
+	KOKKOS_INLINE_FUNCTION
+	double
+	computeRate(IndexType gridIndex, double time = 0.0);
+};
+
 template <typename TSpeciesEnum>
 class PSITrapMutationReaction :
 	public TrapMutationReaction<PSIReactionNetwork<TSpeciesEnum>,

diff --git a/xolotl/core/include/xolotl/core/network/PSIReactionNetwork.h b/xolotl/core/include/xolotl/core/network/PSIReactionNetwork.h
@@ -89,6 +89,9 @@ class PSIReactionNetwork :
 	void
 	initializeExtraClusterData(const options::IOptions& options);
 
+	void
+	initializeExtraDOFs(const options::IOptions& options);
+
 	void
 	updateExtraClusterData(const std::vector<double>& gridTemps,
 		const std::vector<double>& gridDepths);

diff --git a/xolotl/core/include/xolotl/core/network/PSITraits.h b/xolotl/core/include/xolotl/core/network/PSITraits.h
@@ -45,6 +45,10 @@ class PSIDissociationReaction;
 template <typename TSpeciesEnum>
 class PSISinkReaction;
 template <typename TSpeciesEnum>
+class PSIDisloSinkReaction;
+template <typename TSpeciesEnum>
+class PSIGBSinkReaction;
+template <typename TSpeciesEnum>
 class PSITrapMutationReaction;
 template <typename TSpeciesEnum>
 class PSIClusterGenerator;
@@ -281,10 +285,13 @@ struct ReactionNetworkTraits<PSIReactionNetwork<TSpeciesEnum>>
 	using ProductionReactionType = PSIProductionReaction<Species>;
 	using DissociationReactionType = PSIDissociationReaction<Species>;
 	using SinkReactionType = PSISinkReaction<Species>;
+	using DisloSinkReactionType = PSIDisloSinkReaction<Species>;
+	using GBSinkReactionType = PSIGBSinkReaction<Species>;
 	using TrapMutationReactionType = PSITrapMutationReaction<Species>;
 
 	using ReactionTypeList = std::tuple<ProductionReactionType,
-		DissociationReactionType, SinkReactionType, TrapMutationReactionType>;
+		DissociationReactionType, SinkReactionType, DisloSinkReactionType,
+		GBSinkReactionType, TrapMutationReactionType>;
 
 	using ClusterGenerator = PSIClusterGenerator<Species>;
 };

diff --git a/xolotl/core/include/xolotl/core/network/ReactionNetwork.h b/xolotl/core/include/xolotl/core/network/ReactionNetwork.h
@@ -169,6 +169,11 @@ class ReactionNetwork : public ReactionNetworkInterface<TImpl>::Type
 	{
 	}
 
+	void
+	initializeExtraDOFs(const options::IOptions&)
+	{
+	}
+
 	void
 	updateExtraClusterData(
 		const std::vector<double>&, const std::vector<double>&)
-Original file line number
+Diff line change
@@ Expand Up @@
     	{
     	}
+    	void
+    	initializeExtraDOFs(const options::IOptions&)
+    	{
+    	}
     	void
     	updateExtraClusterData(
     		const std::vector<double>&, const std::vector<double>&)
@@ Expand Down @@