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Draft Testing of SRIM and MSTAR computer codes from the point of - - PowerPoint PPT Presentation

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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle Draft Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle Author: Chilom Alin-Nicolae-Romania Supervisor: V.A.Kuzmin

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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle

Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle

Author: Chilom Alin-Nicolae-Romania Supervisor: V.A.Kuzmin 25.07.2014

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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle

Content

1

Introduction

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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle

Content

1

Introduction

2

Reciprocity principle

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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle

Content

1

Introduction

2

Reciprocity principle

3

SRIM and MSTAR

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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle

Content

1

Introduction

2

Reciprocity principle

3

SRIM and MSTAR

4

Results

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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle

Content

1

Introduction

2

Reciprocity principle

3

SRIM and MSTAR

4

Results

5

Conclusions

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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle Introduction

Introduction

Interaction of energetic ions with matter is of great importance for modern industry and technology (including nanotechnology) due to a vast variety of applications ranging from aero-space to biomedical ones. Ion beams allow modifying various properties, such as:

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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle Introduction

Introduction

Interaction of energetic ions with matter is of great importance for modern industry and technology (including nanotechnology) due to a vast variety of applications ranging from aero-space to biomedical ones. Ion beams allow modifying various properties, such as:

electric
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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle Introduction

Introduction

Interaction of energetic ions with matter is of great importance for modern industry and technology (including nanotechnology) due to a vast variety of applications ranging from aero-space to biomedical ones. Ion beams allow modifying various properties, such as:

electric magnetic
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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle Introduction

Introduction

Interaction of energetic ions with matter is of great importance for modern industry and technology (including nanotechnology) due to a vast variety of applications ranging from aero-space to biomedical ones. Ion beams allow modifying various properties, such as:

electric magnetic
  • ptic
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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle Introduction

Introduction

Interaction of energetic ions with matter is of great importance for modern industry and technology (including nanotechnology) due to a vast variety of applications ranging from aero-space to biomedical ones. Ion beams allow modifying various properties, such as:

electric magnetic
  • ptic
mechanic
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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle Introduction

Introduction

Interaction of energetic ions with matter is of great importance for modern industry and technology (including nanotechnology) due to a vast variety of applications ranging from aero-space to biomedical ones. Ion beams allow modifying various properties, such as:

electric magnetic
  • ptic
mechanic and even to synthesize new materials
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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle Introduction

Introduction

Interaction of energetic ions with matter is of great importance for modern industry and technology (including nanotechnology) due to a vast variety of applications ranging from aero-space to biomedical ones. Ion beams allow modifying various properties, such as:

electric magnetic
  • ptic
mechanic and even to synthesize new materials

Ion beams are an unique tool to determine a composition and structure of materials.

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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle Introduction

Introduction

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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle Introduction

Introduction

A key quantity which determines changes of the properties is the stopping power.

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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle Introduction

Introduction

A key quantity which determines changes of the properties is the stopping power. At present, there is no reliable theory for calculating the electronic stopping power in low velocity regime.

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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle Introduction

Introduction

A key quantity which determines changes of the properties is the stopping power. At present, there is no reliable theory for calculating the electronic stopping power in low velocity regime. As a guidance in obtaining the electronic stopping powers at low energies, the principle of reciprocity has been proposed recently by Sigmund [Eur. Phys. J. D 47, 4554 (2008)].

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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle Introduction

Introduction

A key quantity which determines changes of the properties is the stopping power. At present, there is no reliable theory for calculating the electronic stopping power in low velocity regime. As a guidance in obtaining the electronic stopping powers at low energies, the principle of reciprocity has been proposed recently by Sigmund [Eur. Phys. J. D 47, 4554 (2008)]. The aim of this project is to check the correspondence of predictions obtained from most widely used computer codes, SRIM and MSTAR, to the principle of reciprocity.

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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle Reciprocity principle

Reciprocity principle

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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle Reciprocity principle

Reciprocity principle

The reciprocity principle states that the electronic stopping cross section is the same whether projectile A with a velocity v hits the target B or the projectile B with the same velocity v hits target A.

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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle Reciprocity principle

Reciprocity principle

The reciprocity principle states that the electronic stopping cross section is the same whether projectile A with a velocity v hits the target B or the projectile B with the same velocity v hits target A. In order to use the principle of reciprocity one needs to subtract the nuclear stopping power from the total stopping power measured in an experiment.

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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle Reciprocity principle

Reciprocity principle

The reciprocity principle states that the electronic stopping cross section is the same whether projectile A with a velocity v hits the target B or the projectile B with the same velocity v hits target A. In order to use the principle of reciprocity one needs to subtract the nuclear stopping power from the total stopping power measured in an experiment. The reciprocity principle has been extensively checked against comprehensive data collection by Helmut Paul [http://www.exphys.jku.at/stopping/], which collects stopping data for ions, targets and beam energies from literature.

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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle SRIM and MSTAR

SRIM

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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle SRIM and MSTAR

SRIM

SRIM is the most widely used:

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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle SRIM and MSTAR

SRIM

SRIM is the most widely used:

It provides both electronic and nuclear stopping, range of implanted ions and damage distributions for all ions across the whole periodic table using Monte Carlo method.
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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle SRIM and MSTAR

SRIM

SRIM is the most widely used:

It provides both electronic and nuclear stopping, range of implanted ions and damage distributions for all ions across the whole periodic table using Monte Carlo method. It has a section dedicated to fast calculating stopping and range tables.
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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle SRIM and MSTAR

SRIM

SRIM is the most widely used:

It provides both electronic and nuclear stopping, range of implanted ions and damage distributions for all ions across the whole periodic table using Monte Carlo method. It has a section dedicated to fast calculating stopping and range tables. The interface is user friendly.
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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle SRIM and MSTAR

SRIM

SRIM is the most widely used:

It provides both electronic and nuclear stopping, range of implanted ions and damage distributions for all ions across the whole periodic table using Monte Carlo method. It has a section dedicated to fast calculating stopping and range tables. The interface is user friendly. The TRIM section allows the user to produce various plots in both 2-D and 3-D.
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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle SRIM and MSTAR

SRIM

SRIM is the most widely used:

It provides both electronic and nuclear stopping, range of implanted ions and damage distributions for all ions across the whole periodic table using Monte Carlo method. It has a section dedicated to fast calculating stopping and range tables. The interface is user friendly. The TRIM section allows the user to produce various plots in both 2-D and 3-D. It is free.
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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle SRIM and MSTAR

SRIM

SRIM is the most widely used:

It provides both electronic and nuclear stopping, range of implanted ions and damage distributions for all ions across the whole periodic table using Monte Carlo method. It has a section dedicated to fast calculating stopping and range tables. The interface is user friendly. The TRIM section allows the user to produce various plots in both 2-D and 3-D. It is free. The software does not include its source code.
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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle SRIM and MSTAR

SRIM

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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle SRIM and MSTAR

MSTAR

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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle SRIM and MSTAR

MSTAR

MSTAR is an open source software written in Fortran, that

  • nly calculates the electronic stopping of ions in matter.
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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle SRIM and MSTAR

MSTAR

MSTAR is an open source software written in Fortran, that

  • nly calculates the electronic stopping of ions in matter.

It has a simplistic interface and the output is a file which contains a table, or a single value.

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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle SRIM and MSTAR

MSTAR

MSTAR is an open source software written in Fortran, that

  • nly calculates the electronic stopping of ions in matter.

It has a simplistic interface and the output is a file which contains a table, or a single value. Since it is an open source software it can be modified to suit the user.

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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle SRIM and MSTAR

MSTAR

MSTAR is an open source software written in Fortran, that

  • nly calculates the electronic stopping of ions in matter.

It has a simplistic interface and the output is a file which contains a table, or a single value. Since it is an open source software it can be modified to suit the user. Although MSTAR has an extensive data collection, it only supports projectiles ranging from 3Li up to 18Ar and a limited number of target materials.

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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle SRIM and MSTAR

Other programs

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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle SRIM and MSTAR

Other programs

In addition to SRIM and MSTAR we have also used:

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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle SRIM and MSTAR

Other programs

In addition to SRIM and MSTAR we have also used:

MinGW compiler to adjust MSTAR source code to our needs.
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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle SRIM and MSTAR

Other programs

In addition to SRIM and MSTAR we have also used:

MinGW compiler to adjust MSTAR source code to our needs. Gnuplot to construct the graphs.
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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle SRIM and MSTAR

Other programs

In addition to SRIM and MSTAR we have also used:

MinGW compiler to adjust MSTAR source code to our needs. Gnuplot to construct the graphs. OpenWatcom as text editor for Fortran code.
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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle Results

Comparison between nuclear and electronic stopping cross section

1 10 100 1000 0.001 0.01 0.1 1 Se [10-15 eV cm2] E[MeV/u] Ar -> C (SRIM 2013) Se Sn 1 10 100 1000 0.001 0.01 0.1 1 Se [10-15 eV cm2] E[MeV/u] C -> Ar (SRIM 2013) Se Sn
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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle Results

Carbon-Oxygen

1 10 100 1000 0.001 0.01 0.1 1 Se [10-15 eV cm2] E[MeV/u] Red symbols and lines: C-O Blue symbols and lines: O-C MSTAR MSTAR SRIM SRIM
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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle Results

Argon-Carbon

1 10 100 1000 0.001 0.01 0.1 1 Se [10-15 eV cm2] E[MeV/u] Red symbols and lines: C-Ar Blue symbols and lines: Ar-C MSTAR MSTAR SRIM SRIM
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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle Results

Argon-Silicon

1 10 100 1000 0.001 0.01 0.1 1 Se [10-15 eV cm2] E[MeV/u] Red symbols and lines: Ar-Si Blue symbols and lines: Si-Ar MSTAR MSTAR SRIM SRIM
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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle Results

Silicon-Helium

1 10 100 1000 0.001 0.01 0.1 1 Se [10-15 eV cm2] E[MeV/u] Red symbols and lines: Si-He Blue symbols and lines: He-Si MSTAR MSTAR SRIM SRIM
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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle Results

Carbon-Helium

1 10 100 1000 0.001 0.01 0.1 1 Se [10-15 eV cm2] E[MeV/u] Red symbols and lines: C-He Blue symbols and lines: He-C MSTAR MSTAR SRIM SRIM
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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle Results

Comparison at different velocities

1

keV nucleon

25

keV nucleon

Combinations MSTAR SRIM MSTAR SRIM C ↔ O 1.427 0.462 1.206 0.722 Ar ↔ C 1.849 2.800 0,931 1.246 C ↔ He 0.519 0.770 0.970 0.755 Si ↔ He 0.674 1.073 0.581 0.743 Ar ↔ Si 1.357 2.029 1.178 1.234 Average of absolute deviation from 1 0.495 0.754 0.234 0.252

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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle Conclusions

Conclusions

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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle Conclusions

Conclusions

We have considered the combinations relevant for modification of polymers with ion beams (C-O) and also for ion beam analysis (C-He, Si-He, Ar-C, Ar-Si).

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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle Conclusions

Conclusions

We have considered the combinations relevant for modification of polymers with ion beams (C-O) and also for ion beam analysis (C-He, Si-He, Ar-C, Ar-Si). For the combinations above mentioned, the deviations from the perfect reciprocity at Bohr velocity (25keV/nucleon) are similar for MSTAR and SRIM and are about 25%.

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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle Conclusions

Conclusions

We have considered the combinations relevant for modification of polymers with ion beams (C-O) and also for ion beam analysis (C-He, Si-He, Ar-C, Ar-Si). For the combinations above mentioned, the deviations from the perfect reciprocity at Bohr velocity (25keV/nucleon) are similar for MSTAR and SRIM and are about 25%. However at a velocity which corresponds to the energy of 1keV/nucleon the differences increase considerably and reach up to 50% for MSTAR and 75% for SRIM.

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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle Conclusions

Conclusions

We have considered the combinations relevant for modification of polymers with ion beams (C-O) and also for ion beam analysis (C-He, Si-He, Ar-C, Ar-Si). For the combinations above mentioned, the deviations from the perfect reciprocity at Bohr velocity (25keV/nucleon) are similar for MSTAR and SRIM and are about 25%. However at a velocity which corresponds to the energy of 1keV/nucleon the differences increase considerably and reach up to 50% for MSTAR and 75% for SRIM. Despite the fact that, for the considered combinations, MSTAR provides, in average, more accurate values of stopping powers, we can conclude that at low energies it is necessary to correct stopping powers obtained from both MSTAR and SRIM.

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Testing of SRIM and MSTAR computer codes from the point of view of reciprocity principle Conclusions

Thank you for your attention!!!