simulation of x-ray fluorescence and application to planetary astrophysics a. mantero, m. bavdaz, a....

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Simulation of X- Simulation of X- ray Fluorescence ray Fluorescence and Application to and Application to Planetary Planetary Astrophysics Astrophysics A. Mantero, M. Bavdaz, A. Owens, A. Peacock, A. Mantero, M. Bavdaz, A. Owens, A. Peacock, M. G. Pia M. G. Pia IEEE NSS -- Portland, Thursday, Oct 23, 2003

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Page 1: Simulation of X-ray Fluorescence and Application to Planetary Astrophysics A. Mantero, M. Bavdaz, A. Owens, A. Peacock, M. G. Pia IEEE NSS -- Portland,

Simulation of X-ray Simulation of X-ray Fluorescence and Fluorescence and

Application to Planetary Application to Planetary AstrophysicsAstrophysics

A. Mantero, M. Bavdaz, A. Owens, A. Peacock, M. G. PiaA. Mantero, M. Bavdaz, A. Owens, A. Peacock, M. G. Pia

IEEE NSS -- Portland, Thursday, Oct 23, 2003

Page 2: Simulation of X-ray Fluorescence and Application to Planetary Astrophysics A. Mantero, M. Bavdaz, A. Owens, A. Peacock, M. G. Pia IEEE NSS -- Portland,

IEEE NSS -- Portland, Thursday, Oct 23, 2003

[email protected]

The BepiColombo Mission to MercuryThe BepiColombo Mission to Mercury

Composed of 3 spacecrafts: 2 orbiters and a lander carrying 25 scientific experiments.

● Magnetic Field Study● Planet Surface Mapping● Planet Surface Composition study

● 4 spectrometer (IR, X, , n)

● 1 laser altimeter

●1 lander (X-Ray Spectrometer, Imaging Camera, Seismometer)

HERMESIs an X-Ray spectrometer to

measure the composition of the upper layers of planetary surface

Basalt fluorescence spectrum

Beam Energy 9.5 KeV

Cou

nts

Energy (KeV)

Page 3: Simulation of X-ray Fluorescence and Application to Planetary Astrophysics A. Mantero, M. Bavdaz, A. Owens, A. Peacock, M. G. Pia IEEE NSS -- Portland,

IEEE NSS -- Portland, Thursday, Oct 23, 2003

[email protected]

Basalt fluorescence spectrumBeam Energy 9.5 KeV

Cou

nts

Energy (KeV)

Page 4: Simulation of X-ray Fluorescence and Application to Planetary Astrophysics A. Mantero, M. Bavdaz, A. Owens, A. Peacock, M. G. Pia IEEE NSS -- Portland,

IEEE NSS -- Portland, Thursday, Oct 23, 2003

[email protected]

Fluorescence Fluorescence SimulationSimulation

● Space missions are risky, so solid strategies for risk mitigation are to be undertaken

● Preparing a correct and detailed simulation is a crucial part of these strategies

● HERMES is an X-Ray spectrometer studying Mercury's surface composition

● Space missions are risky, so solid strategies for risk mitigation are to be undertaken

● Preparing a correct and detailed simulation is a crucial part of these strategies

● HERMES is an X-Ray spectrometer studying Mercury's surface composition

We need to simulate X-Ray fluorescence We need to simulate X-Ray fluorescence (1-10 KeV) (1-10 KeV) from Mercury surface produced by solar radiationfrom Mercury surface produced by solar radiation

Page 5: Simulation of X-ray Fluorescence and Application to Planetary Astrophysics A. Mantero, M. Bavdaz, A. Owens, A. Peacock, M. G. Pia IEEE NSS -- Portland,

IEEE NSS -- Portland, Thursday, Oct 23, 2003

[email protected]

GeantGeant44

● “A toolkit for the simulation of the passage of particles through matter”● Object-Oriented technology● Developed following ISO 15504 software process implementing iterative-incremental model

● Low energy electromagnetic processes extensions until 100 eV● Advanced instruments for the description of geometry and materials

Geant3 10 KeV

EGS4 1 KeV

Page 6: Simulation of X-ray Fluorescence and Application to Planetary Astrophysics A. Mantero, M. Bavdaz, A. Owens, A. Peacock, M. G. Pia IEEE NSS -- Portland,

IEEE NSS -- Portland, Thursday, Oct 23, 2003

[email protected]

The Atomic Deexcitation The Atomic Deexcitation PackagePackage

Unique interface to be used by any process

Modularity permits a better management and easiness of expansion (Auger)

Fluorescence and Auger emissions are simulated using data present on the EADL (Evaluated Atomic Deexcitation Library) from Livermore

Fluorescence and Auger emissions are simulated using data present on the EADL (Evaluated Atomic Deexcitation Library) from Livermore

The package has undergone both The package has undergone both software and physical validationsoftware and physical validation

Page 7: Simulation of X-ray Fluorescence and Application to Planetary Astrophysics A. Mantero, M. Bavdaz, A. Owens, A. Peacock, M. G. Pia IEEE NSS -- Portland,

IEEE NSS -- Portland, Thursday, Oct 23, 2003

[email protected]

ValidationValidation

● Software Validation● Software Validation

● System Tests● System Tests

● Integration Tests● Integration Tests

● Unit Tests● Unit Tests

● Physical Validation● Physical Validation● Auger● Auger

● Fluorescence ● Fluorescence

Page 8: Simulation of X-ray Fluorescence and Application to Planetary Astrophysics A. Mantero, M. Bavdaz, A. Owens, A. Peacock, M. G. Pia IEEE NSS -- Portland,

IEEE NSS -- Portland, Thursday, Oct 23, 2003

[email protected]

Physical Validation - Physical Validation - AugerAuger

Simulation of Auger emission from pure materials irradiated by an electron beam with continuous ramp spectrum.

Simulation of Auger emission from pure materials irradiated by an electron beam with continuous ramp spectrum.

Comparison between energy of simulated

outflowing electrons and data found in literature

Percent Error: Percent Error: 0.74 % 0.74 % ± 0.07± 0.07

Page 9: Simulation of X-ray Fluorescence and Application to Planetary Astrophysics A. Mantero, M. Bavdaz, A. Owens, A. Peacock, M. G. Pia IEEE NSS -- Portland,

Full comparison with experimental data from rocks X-Ray irradiation

(Bessy)

Full comparison with experimental data from rocks X-Ray irradiation

(Bessy)

Iceland Basalt Fluorescence Spectrum

Cou

nts

Energy (keV)

IEEE NSS -- Portland, Thursday, Oct 23, 2003

[email protected]

Physical Validation - Physical Validation - FluorescenceFluorescence

Parametric analysis of data

Pure ElementsComplex Materials

Many Peaks

Physical Background

Many Peaks

Physical Background

Anderson-Darling● Goodness of Fit test

● Doesn't depend upon data grouping

● No symmetry needed

● No cut on data number

Look B. MascialinoData Analysis in HEP: A Statistical Toolkit2003 NNS, Portland, Oregon, USA

Page 10: Simulation of X-ray Fluorescence and Application to Planetary Astrophysics A. Mantero, M. Bavdaz, A. Owens, A. Peacock, M. G. Pia IEEE NSS -- Portland,

IEEE NSS -- Portland, Thursday, Oct 23, 2003

[email protected]

Physical Validation - Physical Validation - FluorescenceFluorescence

Preliminar analysis Pearson correlation:

r>0.93 p<0.0001

High Statistical correlation

Ac (95%) =0.752

Anderson Darling resultsBeam Energy

4.96.58.29.5

Experimental and simulated X-Ray Spectra

are statistically compatible at a 95% C.L.

Experimental and simulated X-Ray Spectra

are statistically compatible at a 95% C.L.

A20.040.010.210.41

SimulatedExperimental

Page 11: Simulation of X-ray Fluorescence and Application to Planetary Astrophysics A. Mantero, M. Bavdaz, A. Owens, A. Peacock, M. G. Pia IEEE NSS -- Portland,

IEEE NSS -- Portland, Thursday, Oct 23, 2003

[email protected]

Application – DIANEApplication – DIANEData for

comparison have been taken during a

test beam at BESSY

laboratories.

A GEANT4 application has been created reproducing:● Experimental set-up● Materials ● Detectors

A GEANT4 application has been created reproducing:● Experimental set-up● Materials ● Detectors

The application is CPU consuming, so it has been

interfaced to the GRID thanks to the DIANE

framework

Execution Times are reduced of an order of

magnitude

(750 Mevents -> 24 Hours)

Execution Times are reduced of an order of

magnitude

(750 Mevents -> 24 Hours)

talk: DIANE -- Distributed Analysis Environment for GRID-enabled Simulation and Analysis of Physics Data (Friday 24th October)

The experimental set-up at the PTB laboratory at BESSY-II. The XRF chamber can be seen to be attached to the end of the Four Crystal Monochromator (FCM) beamline.

Si

GaAs

FCM beamline

Si reference

XRF chamber

Page 12: Simulation of X-ray Fluorescence and Application to Planetary Astrophysics A. Mantero, M. Bavdaz, A. Owens, A. Peacock, M. G. Pia IEEE NSS -- Portland,

IEEE NSS -- Portland, Thursday, Oct 23, 2003

[email protected]

Work In ProgressWork In ProgressOptimization phase...

Bepicolombo application:

● New Geometries● Runtime Analysis Features (AIDA/ANAPHE)

Page 13: Simulation of X-ray Fluorescence and Application to Planetary Astrophysics A. Mantero, M. Bavdaz, A. Owens, A. Peacock, M. G. Pia IEEE NSS -- Portland,

IEEE NSS -- Portland, Thursday, Oct 23, 2003

[email protected]

ConclusionsConclusionsFull atomic

deexcitation validationPredictive capability of deexcitation processes

Use of Geant4 applications for Physic Reach studies and experimental set-up optimization

Physic validation Geological material DetectorGeometry