fix IPD ionization cascade

ci: picongpu
ComputationalRadiationPhysics · Jan 7, 2025 · 19518ec · 19518ec
1 parent f0d67c3
commit 19518ec
Showing 1 changed file with 14 additions and 2 deletions.
diff --git a/...pu/particles/atomicPhysics/ionizationPotentialDepression/kernel/ApplyIPDIonization.kernel b/...pu/particles/atomicPhysics/ionizationPotentialDepression/kernel/ApplyIPDIonization.kernel
@@ -204,9 +204,21 @@ namespace picongpu::particles::atomicPhysics::ionizationPotentialDepression::ker
             // eV
             float_X const ipdIonizationEnergy = ionizationEnergy - ipd;
 
-            if(ipdIonizationEnergy < 0._X)
+            bool const stateIsUnbound = (ipdIonizationEnergy < 0._X);
+
+            /** @details states that are unbound without an IPD contribution must relax via auto-ionization, electronic
+             *  collisional ionization or deexcitation channels
+             *
+             * these states are typically low shell hole states, IPD-Ionization will not relax these states until
+             *  very high charge states, causing:
+             *  - numerical energy creation as the IPD actually lacks the energy required for ionization
+             *  - instant ionization cascades, which are not consistent with the IPD equilibrium description
+             */
+            bool const stateIsUnboundDueToIPDOnly = (ionizationEnergy >= 0._X);
+
+            if(stateIsUnbound && stateIsUnboundDueToIPDOnly)
             {
-                /* we only update the atomic state since IPDIonization is not a regular transition and does not use
+                /* we only update the atomic state since IPD-Ionization is not a regular transition and does not use
                  *   shared resources */
 
                 // update ion atomic state