1 analysing samples with complex geometries particles inclusions bubbles lamellae & phase...

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1 Analysing samples with complex geometries Particle s Inclusio ns Bubbles Lamellae & phase boundaries Multilaye rs etc… Hartford 2014

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Page 1: 1 Analysing samples with complex geometries Particles Inclusions Bubbles Lamellae & phase boundaries Multilayers etc… Hartford 2014

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Analysing samples with complex geometries

Particles Inclusions

BubblesLamellae & phase boundaries

Multilayers

etc…

Hartford 2014

Page 2: 1 Analysing samples with complex geometries Particles Inclusions Bubbles Lamellae & phase boundaries Multilayers etc… Hartford 2014

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General-purpose Monte Carlo subroutine package for the simulation of

coupled electron-photon transport in arbitrary geometries (75 eV – 1

GeV)

Developed and maintained at the UB. Distributed by the OECD-NEA

Data Bank (Paris)

PENetration and Energy LOss of Positrons and Electrons (... and photons)

http://www.nea.fr/lists/penelope.html

PENEPMA: EPMA simulations made easy

Based on PENELOPE. Latest version v. 2014

You can define the energy, direction and position of the electron beam

The geometry of the sample (and its environment) is defined by using PENGEOM

Provides the x-ray spectrum at different photon detectors

Salvat et al. (1996 2014) The simulation code PENELOPE

Hartford 2014

Page 3: 1 Analysing samples with complex geometries Particles Inclusions Bubbles Lamellae & phase boundaries Multilayers etc… Hartford 2014

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Running PENEPMA with PYPENELOPE (v. 2011)

Hartford 2014

Interface created by Philippe Pinard http://pypenelope.sourceforge.net

Page 4: 1 Analysing samples with complex geometries Particles Inclusions Bubbles Lamellae & phase boundaries Multilayers etc… Hartford 2014

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Running PENEPMA with PYPENELOPE

Hartford 2014

Defining a new simulation

Starting a new simulation

Page 5: 1 Analysing samples with complex geometries Particles Inclusions Bubbles Lamellae & phase boundaries Multilayers etc… Hartford 2014

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Running PENEPMA with PYPENELOPE

Hartford 2014

Simulation’s folder & title

Page 6: 1 Analysing samples with complex geometries Particles Inclusions Bubbles Lamellae & phase boundaries Multilayers etc… Hartford 2014

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Running PENEPMA with PYPENELOPE

Hartford 2014

Incident electron beam characteristics

Page 7: 1 Analysing samples with complex geometries Particles Inclusions Bubbles Lamellae & phase boundaries Multilayers etc… Hartford 2014

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Running PENEPMA with PYPENELOPE

Hartford 2014

Sample geometry: bulk, multilayer, inclusion, grain boundaries

Page 8: 1 Analysing samples with complex geometries Particles Inclusions Bubbles Lamellae & phase boundaries Multilayers etc… Hartford 2014

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Running PENEPMA with PYPENELOPE

Hartford 2014

Material compounds can be defined by means of their chemical formula

Page 9: 1 Analysing samples with complex geometries Particles Inclusions Bubbles Lamellae & phase boundaries Multilayers etc… Hartford 2014

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Running PENEPMA with PYPENELOPE

Hartford 2014

… or by clicking each element in the periodic table

Page 10: 1 Analysing samples with complex geometries Particles Inclusions Bubbles Lamellae & phase boundaries Multilayers etc… Hartford 2014

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Running PENEPMA with PYPENELOPE

Hartford 2014

Simulation parameters related to the mixed simulation algorithm of PENELOPE: Eabs (electrons & photons), C1, C2, WCC, WCR

Page 11: 1 Analysing samples with complex geometries Particles Inclusions Bubbles Lamellae & phase boundaries Multilayers etc… Hartford 2014

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Running PENEPMA with PYPENELOPE

Hartford 2014

Interaction forcing values for each interaction mechanism e.g. ionization & bremsstrahlung emission

Page 12: 1 Analysing samples with complex geometries Particles Inclusions Bubbles Lamellae & phase boundaries Multilayers etc… Hartford 2014

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Running PENEPMA with PYPENELOPE

Hartford 2014

Different kind of photon detectors can be defined

Page 13: 1 Analysing samples with complex geometries Particles Inclusions Bubbles Lamellae & phase boundaries Multilayers etc… Hartford 2014

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Running PENEPMA with PYPENELOPE

Hartford 2014

A simulation will stop if the number of showers, simulation time or uncertainty on a specific X-ray line is reached

Page 14: 1 Analysing samples with complex geometries Particles Inclusions Bubbles Lamellae & phase boundaries Multilayers etc… Hartford 2014

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Running PENEPMA with PYPENELOPE

Hartford 2014

Running the defined simulation

Page 15: 1 Analysing samples with complex geometries Particles Inclusions Bubbles Lamellae & phase boundaries Multilayers etc… Hartford 2014

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Running PENEPMA with PYPENELOPE

Hartford 2014

Characteristic X-ray intensities (primary, fluorescence characteristic, fluorescence bremss, total) and statistical uncertainties

Page 16: 1 Analysing samples with complex geometries Particles Inclusions Bubbles Lamellae & phase boundaries Multilayers etc… Hartford 2014

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Running PENEPMA with PYPENELOPE

Hartford 2014

Results can be visualized on-line or exported to data files

Page 17: 1 Analysing samples with complex geometries Particles Inclusions Bubbles Lamellae & phase boundaries Multilayers etc… Hartford 2014

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Running PENEPMA manually

Hartford 2014

Geometry definition file (PENGEOM)

The corresponding material-data files (by running the program

material)

The input file containing details on the electron beam, simulation

parameters, detectors, variance reduction, methods and spatial

distribution of x-ray events, simulation time or number of trajectories,

etc

To run PENEPMA manually we usually must prepare:

Advantages of running PENEPMA manually:

Parallel processing possible (v. 2014)

Any geometry can be defined (sample, microscope, etc..)

2D distributions of X-ray emission can be obtained

Scripts prepared to visualize output results using gnuplot

Page 18: 1 Analysing samples with complex geometries Particles Inclusions Bubbles Lamellae & phase boundaries Multilayers etc… Hartford 2014

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Preparing the input file

Hartford 2014

Page 19: 1 Analysing samples with complex geometries Particles Inclusions Bubbles Lamellae & phase boundaries Multilayers etc… Hartford 2014

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Preparing the input file

Hartford 2014

Page 20: 1 Analysing samples with complex geometries Particles Inclusions Bubbles Lamellae & phase boundaries Multilayers etc… Hartford 2014

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Preparing the input file

Hartford 2014

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Example: Ca4Al4MgO11 inclusion on Fe

Hartford 2014

Fe

Ca4Al4MgO11

electron beam (y = 1mm, x = 0mm)

E = 15 keV

y

z

r = 2 mm

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Results: characteristic x-ray spectrum

Hartford 2014

Fe

Ca

Si

Mg

O

Page 23: 1 Analysing samples with complex geometries Particles Inclusions Bubbles Lamellae & phase boundaries Multilayers etc… Hartford 2014

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Results: EPMA spectrum

Hartford 2014

Fe

CaSiMg

O

Page 24: 1 Analysing samples with complex geometries Particles Inclusions Bubbles Lamellae & phase boundaries Multilayers etc… Hartford 2014

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Results: depth distribution of X-ray emission (Fe Ka)

Hartford 2014

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Fe Ka

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Fe Ka

Page 27: 1 Analysing samples with complex geometries Particles Inclusions Bubbles Lamellae & phase boundaries Multilayers etc… Hartford 2014

27Hartford 2014

Fe Ka

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Fe Ka