Addressed generation of basal clusters below minimum size threshold (O…

…RNL-Fusion#185)
LP-Nick · Jul 9, 2024 · 61f05a4 · 61f05a4
1 parent 418682e
commit 61f05a4
Show file tree

Hide file tree

Showing 3 changed files with 11 additions and 5 deletions.
diff --git a/xolotl/core/include/xolotl/core/network/impl/Reaction.tpp b/xolotl/core/include/xolotl/core/network/impl/Reaction.tpp
@@ -2415,7 +2415,6 @@ DissociationReaction<TNetwork, TDerived>::computeRate(
 
 	double kPlus = this->asDerived()->getRateForProduction(gridIndex);
 	double E_b = this->asDerived()->computeBindingEnergy(time);
-
 	constexpr double k_B = ::xolotl::core::kBoltzmann;
 
 	double kMinus = (1.0 / omega) * kPlus * std::exp(-E_b / (k_B * T));

diff --git a/xolotl/core/include/xolotl/core/network/impl/ZrClusterGenerator.tpp b/xolotl/core/include/xolotl/core/network/impl/ZrClusterGenerator.tpp
@@ -89,14 +89,21 @@ ZrClusterGenerator::select(const Region& region) const
 			return false;
 
 		// Basal
-		if (region[Species::Basal].begin() > _maxB)
+		if (region[Species::Basal].begin() > 0 &&
+				region[Species::Basal].begin() < 9)
 			return false;
+
+
 	}
 
+	if (region[Species::V].begin() == 0 && region[Species::I].begin() == 0 &&
+	region[Species::Basal].begin() > 0 && region[Species::Basal].end() - 1 < 9)
+	return false;
+
 	if (region[Species::V].begin() > _maxV ||
 		region[Species::Basal].begin() > _maxB ||
 		region[Species::I].begin() > _maxI)
-		return false;
+			return false;
 
 	return true;
 }

diff --git a/xolotl/core/include/xolotl/core/network/impl/ZrReaction.tpp b/xolotl/core/include/xolotl/core/network/impl/ZrReaction.tpp
@@ -245,8 +245,8 @@ ZrDissociationReaction::computeBindingEnergy(double time)
 		double gamma = cp;
 
 		double n = (double)(lo[Species::Basal] + hi[Species::Basal] - 1) / 2.0;
-		if (prod1Comp.isOnAxis(Species::Basal) ||
-			prod2Comp.isOnAxis(Species::Basal)) {
+		/*if (prod1Comp.isOnAxis(Species::Basal) ||
+			prod2Comp.isOnAxis(Species::Basal)) */{
 			if (n < this->_clusterData->transitionSize()) {
 				be = 1.762 +
 					((5.352 * sqrt(n - 1) + 0.122 * (n - 1) + 0.154 * (n - 1) -