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bug fix ipd ionization #5245

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BrianMarre
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@BrianMarre BrianMarre commented Jan 7, 2025

fixes a physics modelling bug causing a non-energy conserving ionization cascade, when encountering non-bound low shell hole states at the start of an atomicPhysics(FLYonPIC) sub step.

*/
bool const stateIsUnboundDueToIPDOnly = (ionizationEnergy >= 0._X);

if(stateIsUnbound && stateIsUnboundDueToIPDOnly)
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@ikbuibui ikbuibui Jan 8, 2025

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Suggested change
if(stateIsUnbound && stateIsUnboundDueToIPDOnly)
// state is unbound due to IPD
if(ionizationEnergy >= 0 && ipd > ionizationEnergy)

EDITED: This might be clearer to read. And we can remove the variables ipdIonizationEnergy, stateIsUnbound, and stateIsUnboundDueToIPDOnly

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@ikbuibui ikbuibui Jan 8, 2025

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I am curious if this is really the logic that is required. What is supposed to happen if ionizationEnergy < 0?

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the state is supposed to relax via the regular time resolved rate solver channels, such as deexcitation, electronic ionization or autonomous ionization(EA).

@BrianMarre BrianMarre force-pushed the topic-bugFixIPDIonization branch from 19518ec to 6eb0d91 Compare January 9, 2025 09:49
@ikbuibui ikbuibui added the bug a bug in the project's code label Jan 9, 2025
@ikbuibui ikbuibui added this to the 0.9.0 / next stable milestone Jan 9, 2025
@ikbuibui ikbuibui added the component: core in PIConGPU (core application) label Jan 9, 2025
@chillenzer chillenzer added the affects latest release a bug that affects the latest stable release label Jan 9, 2025
@ikbuibui ikbuibui merged commit 74990f4 into ComputationalRadiationPhysics:dev Jan 10, 2025
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@BrianMarre BrianMarre deleted the topic-bugFixIPDIonization branch January 10, 2025 10:47
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3 participants