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Tiêu đề Applications of Monte Carlo Method in Science and Engineering
Tác giả Shlomo Mark, Shaul Mordechai
Trường học InTech
Chuyên ngành Science and Engineering
Thể loại Edited Book
Năm xuất bản 2011
Thành phố Rijeka
Định dạng
Số trang 552
Dung lượng 27,81 MB

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Frank Sukowski and Norman UhlmannApplication of Monte Carlo Simulation in Optical Tweezers 21 Yu-Xuan Ren, Jian-Guang Wu and Yin-Mei Li Enabling Grids for GATE Monte-Carlo Radiation Ther

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APPLICATIONS OF MONTE CARLO METHOD IN SCIENCE AND ENGINEERINGEdited by Shlomo Mark and Shaul Mordechai

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Published by InTech

Janeza Trdine 9, 51000 Rijeka, Croatia

Copyright © 2011 InTech

All chapters are Open Access articles distributed under the Creative Commons

Non Commercial Share Alike Attribution 3.0 license, which permits to copy,

distribute, transmit, and adapt the work in any medium, so long as the original

work is properly cited After this work has been published by InTech, authors

have the right to republish it, in whole or part, in any publication of which they

are the author, and to make other personal use of the work Any republication,

referencing or personal use of the work must explicitly identify the original source.Statements and opinions expressed in the chapters are these of the individual contributors and not necessarily those of the editors or publisher No responsibility is accepted for the accuracy of information contained in the published articles The publisher

assumes no responsibility for any damage or injury to persons or property arising out

of the use of any materials, instructions, methods or ideas contained in the book

Publishing Process Manager Ana Nikolic

Technical Editor Teodora Smiljanic

Cover Designer Martina Sirotic

Image Copyright Qiwen, 2010 Used under license from Shutterstock.com

First published February, 2011

Printed in India

A free online edition of this book is available at www.intechopen.com

Additional hard copies can be obtained from orders@intechweb.org

Applications of Monte Carlo Method in Science and Engineering,

Edited by Shlomo Mark and Shaul Mordechai

p cm

ISBN 978-953-307-691-1

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free online editions of InTech

Books and Journals can be found at

www.intechopen.com

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Frank Sukowski and Norman Uhlmann

Application of Monte Carlo Simulation

in Optical Tweezers 21

Yu-Xuan Ren, Jian-Guang Wu and Yin-Mei Li

Enabling Grids for GATE Monte-Carlo Radiation Therapy Simulations with the GATE-Lab 35

Sorina Camarasu-Pop, Tristan Glatard, Hugues Benoit-Cattin and David Sarrut

Monte Carlo Simulation for Ion Implantation Profiles, Amorphous Layer Thickness Formed by the Ion Implantation, and Database Based on Pearson Function 51

Kunihiro Suzuki

Application of Monte Carlo Simulation

in Industrial Microbiological Exposure Assessment 83

Javier Collado, Antonio Falcó, Dolores Rodrigo,Fernando Sampedro, M Consuelo Pina and Antonio Martínez

Monte Carlo Simulation of Radiative Transfer

in Atmospheric Environments for Problems Arising from Remote Sensing Measurements 95

Margherita Premuda

Monte Carlo Simulation of Pile-up Effect

in Gamma Spectroscopy 125

Ali Asghar Mowlavi, Mario de Denaro and Maria Rosa Fornasier

Monte Carlo Simulations of Microchannel Plate–Based, Time-Gated X-ray Imagers 141

Craig A Kruschwitz and Ming WuContents

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Many-particle Monte Carlo Approach

Monte Carlo Simulation of SEM and SAM Images 231

Y.G Li, S.F Mao and Z.J Ding

Monte Carlo Simulation of Insulating Gas Avalanche Development 297

Dengming Xiao

Monte Carlo Simulation of Electron Dynamics in Doped Semiconductors Driven by Electric Fields: Harmonic Generation, Hot-Carrier Noise and Spin Relaxation 331

Dominique Persano Adorno

A Pearson Effective Potential for Monte-Carlo Simulation

of Quantum Confinement Effects in nMOSFETs 359

Marie-Anne Jaud, Sylvain Barraud, Philippe Dollfus,Jérôme Saint-Martin, Arnaud Bournel and Hervé Jaouen

Monte Carlo Device Simulations 385

Dragica Vasileska, Katerina Raleva and Stephen M Goodnick

Wang-Landau Algorithm and its Implementation for the Determination of Joint Density

of States in Continuous Spin Models 431

Soumen Kumar Roy, Kisor Mukhopadhyay, Nababrata Ghoshal and Shyamal Bhar

Characterizing Molecular Rotations using Monte Carlo Simulations 451

Bart Verberck

Finite-time Scaling and its Applications

to Continuous Phase Transitions 469

Fan Zhong

Using Monte Carlo Method to Study Magnetic Properties of Frozen Ferrofluid 495

Tran Nguyen Lan and Tran Hoang Hai

Monte Carlo Studies of Magnetic Nanoparticles 513

K Trohidou and M Vasilakaki

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Monte Carlo Simulation for Magnetic

Domain Structure and Hysteresis Properties 539

Katsuhiko Yamaguchi, Kenji Suzuki and Osamu Nittono

Monte Carlo Simulations of Grain Growth

in Polycrystalline Materials Using Potts Model 563

Miroslav Morháč and Eva Morháčová

Monte Carlo Simulations of Grain Growth in Metals 581

Sven K Esche

Monte Carlo Simulations on Defects

in Hard-Sphere Crystals Under Gravity 611

Atsushi Mori

Atomistic Monte Carlo Simulations in Steelmaking:

High Temperature Carburization

and Decarburization of Molten Steel 629

R Khanna, R Mahjoub and V Sahajwalla

GCMC Simulations of Gas Adsorption

in Carbon Pore Structures 653

Maria Konstantakou, Anastasios Gotzias, Michael Kainourgiakis, Athanasios K Stubos and Theodore A Steriotis

Effect of the Repulsive Interactions on the Nucleation

and Island Growth: Kinetic Monte Carlo Simulations 677

Hu Juanmei and Wu Fengmin

Monte Carlo Methodology for Grand Canonical

Simulations of Vacancies at Crystalline Defects 687

Döme Tanguy

Frequency-Dependent Monte Carlo Simulations

of Phonon Transport in Nanostructures 707

Qing Hao and Gang Chen

Performance Analysis of Adaptive GPS Signal Detection

in Urban Interference Environment

using the Monte Carlo Approach 735

V Behar, Ch Kabakchiev, I Garvanov and H Rohling

Practical Monte Carlo Based Reliability Analysis

and Design Methods for Geotechnical Problems 757

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Monte Carlo Simulation

of Room Temperature Ballistic Nanodevices 803

Ignacio Íñiguez-de-la-Torre, Tomás González, Helena Rodilla, Beatriz G Vasallo and Javier Mateos

Estimation of Optical Properties

in Postharvest and Processing Technology 829

László Baranyai

MATLAB Programming of Polymerization Processes using Monte Carlo Techniques 841

Mamdouh A Al-Harthi

Monte Carlo Simulations in Solar Radio Astronomy 857

G Thejappa and R J MacDowall

Using Monte Carlo Simulation for Prediction of Tool Life 881

Sayyad Zahid Qamar, Anwar Khalil Sheikh,Tasneem Pervez and Abul Fazal M Arif

Loss of Load Expectation Assessment in Electricity Markets using Monte Carlo Simulation and Neuro-Fuzzy Systems 901

H Haroonabadi

Automating First- and Second-order Monte Carlo Simulations for Markov Models in TreeAge Pro 917

Benjamin P Geisler

Monte Carlo Simulations

of Adsorbed Molecules on Ionic Surfaces 931

Abdulwahab Khalil Sallabi

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Monte Carlo simulation, the iterative computational method used to examine and

in-vestigate the behavior of physical and mathematical systems utilizing stochastic niques It is a widely used method and a successful statistical tool in studying a broad array of problems, areas and cases in which it is infeasible or impossible to compute exact results utilizing deterministic algorithms

tech-The Monte Carlo method has proven to be a very useful statistical sampling tional technique in att aining approximate numerical solutions to system and quantita-tive problems which are complex, nonlinear, involve uncertain parameters, and that are otherwise too complicated to solve analytically In such areas of problem solving, when compared to other methods of analysis, Monte Carlo approaches are known to

computa-be the most accurate Historically, however, computa-because of the relatively large amount of computational time required, these techniques were considered fairly burdensome Nowadays, as a result of the ever-increasing computing power, as well as the increas-ing availability of distributed resources, these computations can be substantially accelerated

In today’s world, with the wide prevalence of novel programming languages and tools, the rapid growth of computing power and the availability of ever more advanced and powerful hardware, the need for increasingly complex and powerful computational so-lutions such as Monte Carlo simulation and applications is growing exponentially The utilization of Monte Carlo methods, simulations and applications, is found in widely disparate fi elds and areas of application such as nuclear physics, reliability, networks,

fi nance and business, engineering, economics, risk analysis, project management, the study of heat transfer, molecular dynamic analysis, environmental sciences, chemistry, telecommunications, engineering, games and so forth

In this book, Applications of Monte Carlo Method in Science and Engineering, we further expose the broad range of applications of Monte Carlo simulation in the

fi elds of Quantum Physics, Statistical Physics, Reliability, Medical Physics, talline Materials, Ising Model, Chemistry, Agriculture, Food Processing, X-ray Im-aging, Electron Dynamics in Doped Semiconductors, Metallurgy, Remote Sensing

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Polycrys-and much more diverse topics The book chapters included in this volume clearly refl ect the current scientifi c importance of Monte Carlo techniques in various fi elds

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1 Introduction

X-ray techniques are commonly used in the fields of non-destructive testing (NDT)

of industrial parts, material characterization, security and examination of various otherspecimens The most used techniques for obtaining images are radioscopy for 2D andcomputed tomography (CT) for 3D imaging Apart from these two imaging techniques,where X-ray radiation penetrates matter, other methods like refraction or fluorescence analysiscan also be used to obtain information about objects and materials The vast diversity ofpossible specimen and examination tasks makes the development of universal X-ray devicesimpossible It rather is necessary to develop and optimize X-ray machines for a specific task or

at least for a limited range of tasks The most important parameters that can be derived fromobject geometry and material composition are the X-ray energy or spectrum, the dimensions,the examination geometries and the size of the detector The task itself demands a certainimage quality which depends also on the X-ray spectrum, the examination geometry andfurthermore on the size of the X-ray source’s focal spot and the resolution of the detector.Monte-Carlo (MC) simulations are a powerful tool to optimize an X-ray machine and its keycomponents The most important components are the radiation source, e.g an X-ray tube andthe detector MC particle physics simulation codes like EGS (Nelson et al., 1985) or GEANT(Agostinelli et al., 2003) can describe all interactions of particles with matter in an X-rayenvironment very well Almost all effects can be derived from these particle physics processes.The MC codes are event based Every single primary particle is generated and tracked alongwith all secondary particles until the energy of all particles drops below a certain threshold.The primaries are generated one after another, since no interactions between particles takeplace

When simulating X-ray sources, in most cases X-ray tubes, the primary particles are electrons.The electron beam is parameterized by the electrons’ kinetic energy and the intensity profilealong the cross-section of the beam When hitting the target, X-rays are generated byinteraction of electrons with the medium The relevant magnitudes for imaging are the X-rayenergy spectrum and the effective optical focal spot size (Morneburg, 1995)

The most used imaging systems in the field of NDT are flat panel detectors There are twobasic types of detectors: Direct converting semiconductor detectors and indirect convertingscintillation detectors The type of particle interactions in the respective sensor layerdetermines the detection efficiency and effective spatial resolution Interaction of X-rays indirect converting detectors produces electron-hole-pairs in the semiconductor materials Thefree charge carriers drift to electrodes, where the current can be measured MC simulations can

Monte Carlo Simulations in NDT

Frank Sukowski and Norman Uhlmann

Fraunhofer Institute for Integrated Circuits IIS, Development Center X-ray Technology

(EZRT) Germany

1

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describe the X-ray absorption and scattering as well as the electron drift which leads to imageblurring Measuring X-rays with scintillation detectors works differently X-rays interact inthe scintillation layer and produce visible photons, which are detected in a CCD or CMOSchip In addition to X-ray scattering and electron drift the diffusion of the visible photons

in the scintillation layer contributes greatly to image blurring (Beutel et al., 2000) In anycase, a thicker sensor layer improves the detection efficiency on the one hand, which leads

to shorter measurement times, but decreases the spatial resolution on the other hand Findingthe optimal trade-off between efficiency and resolution by designing detector properties is anexcellent task for MC simulations

Another application field of MC simulations are feasibility studies for special examinationtasks in order to evaluate physical limits of different imaging methods These studies are notlimited to radioscopic methods, but include other ways to obtain information about specimenslike refractive, diffractive and backscatter imaging as well as fluorescence analysis and manymore

In this chapter MC applications aimed at the optimization of X-ray setups for specific tasksand feasibility studies are introduced

The used Monte-Carlo code is called ROSI (ROentgen SImulation), which was developed by

J Giersch and A Weidemann at the University of Erlangen (Giersch et al., 2003) Is is anobject oriented programm code and the simulation runs can be parallelized in a computernetwork for largely increasing the performance It is based on the particle physics codes EGS4for general electromagnetic particle interactions and LSCAT for low energy processes

2 Simulation of X-ray sources

2.1 X-ray source characteristics in NDT imaging

In common X-ray tubes, radiation is produced by accellerating electrons via a potentialdifference between the cathode (the electron emitter) and the anode (the X-ray target) Whenthe electrons hit the target, they are decelerated hard by collisions with electrons of thetarget material or in the coulomb fields of atomic cores X-ray radiation is produced in twodifferent processes Since electrons are charged, acceleration or in this case deceleration cancause emission of photons The energy of these photons corresponds to the electrons’ energyloss during the deceleration process, so the maximum possible energy corresponds to the

acceleration voltage (Emax=e · U) This process is called bremsstrahlung The other process

is called characteristic or fluorescence radiation and takes place when electrons ionize thetarget material by hitting bound electrons The excited atoms change into their ground statevery quickly by electronic transition from a high to the lower vacant energy level During thisprocess a photon is emitted, whose energy corresponds to the difference in these energy levels(Morneburg, 1995)

2.1.1 Energy spectrum

In the field of X-ray imaging the kind of application forces all neccessary source properties.When penetration techniques like radiography or computed tomography are used, the X-rayradiation energy is one of the most important parameters The radiation must partiallypenetrate the object to obtain the highest possible contrast between high and low absorbingparts of the specimen With X-ray tubes as sources, the energy spectrum can be shaped byadjusting the tube voltage and using various prefilters Figure 1 shows spectra between 30and 450 kV with several prefilters

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Fig 1 X-ray spectra, normalized to a maximum of 1

The influence of the image quality can clearly be seen in 2 A Siemensstern with 8 mm thickiron and copper sections is radiographed (a) The energy of the X-rays is not sufficient topenetrate any material, the area behind the object is completely dark (b) The area behindthe object is still very dark compared to the uncovered area, although a faint contrastbetween copper (darker) and iron (lighter) can be seen Many low energy photons enhancethe brightness in the uncovered area, while they are completely absorbed in the object (c)The low-energy photons are filtered out by the prefilter and don’t contribute to either theuncovered or covered image parts The difference between these areas is reduced, while thecontrast is enhanced This spectrum would be a good choice for separating the iron and coppersections (d) The vast majority of the photons penetrate the object regardless of the material.The complete object appears brighter, but the contrast between iron and copper is reducedagain

2.1.2 Focal spot size

The focal spot size U F of the X-ray source is also a very important magnitude and has alarge influence on the spatial resolution of the image, especially when working with high

magnifications M The magnification is given by the fraction of the focus-detector-distance FDD and the focus-object-distance FOD As illustrated in 3, the geometrical unsharpness U g

of the image is given by

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(a) 30 kV without prefilter (b) 160 kV with 4 mm

aluminium prefilter

(c) 160 kV with 4 mm copper prefilter

(d) 450 kV with 4 mm copper prefilter

Fig 2 Images of a Siemensstern The sections are iron and copper with thickness of 8 mmeach

part originates from poisson noise due to limited quantum statistics Poisson noise is 1/

N p,

where N pis the number of events per pixel in one image For obtaining low-noise images in

a short time, the source intensity must be maximized The number of emitted photons from

an X-ray source first depends on the tube voltage U The intensity is roughly proportional to

the squared voltage Since the voltage shapes the energy spectrum, it is not always desirable

to change it for a given application The second way to increase the intensity is to increase

the tube current I, which is proportional to the intensity The electrical power P applied to the X-ray target is P=U · I Unfortunately only about 1% of the electrical power is converted to

X-rays The vast majority of the electrical power heats up the target, which forces a limitation

in the appliable current Monte-Carlo simulations can help a great deal to optimize targetmaterial composition and geometry to increase the load capacity of targets or increase theX-ray conversion efficiency

2.2 High resolution imaging

As mentioned in the above section, a small focal spot is crucial to achieve a good spatialresolution when working with high magnifications High resolution in X-ray imaging meansresolution of object details below 1 micron For those applications, microfocus X-ray tubeswith transmission targets are commonly used where the target is also the exitation window of

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Fig 3 Geometrical unsharpness due to X-ray source dimension

the tube The transmission target has a great advantage since the specimen can be placed veryclose to the focal spot in order to achive high magnifications The electron beam in the X-raytube is focused onto the target by electronic lenses The diamater of the beam on the targetsurface reaches from 200 nm to severalμm and mostly determines the X-ray focal spot size.

But the diffusion of the electrons in the target, which depends largely on the target materialsand layer composition can further increase the focal spot size as shown in 4 To design a targetfor smallest possible focal spots, Monte-Carlo simulations of electronic diffusion and X-rayproduction processes were performed

Fig 4 Geometrical setup of a transmission target

In the simulation a parallel electron beam with electron kinetic energy between 30 and 120 keVwas modeled with a gaussian intensity cross-section in both dimensions The FWHM value

of the gaussian distribution was 200 nm The first layer material of the transmission target

5Monte Carlo Simulations in NDT

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is tungsten Since the X-ray productivity rises with the atomic number proportional to Z2,

tungsten with Z=74 is a good choice It has even more advantages, a very high melting point

at over 3000C, a fair thermal conductivity, mechanical and chemical stability The X-rays areproduced mainly in the tungsten layer, which is also called the X-ray production layer Inthe simulations, the thickness of this layer was varied from 0.05 to 7 microns (depending onelectron energy) From their point of origin the photons have to pass the remaining targetmaterial to reach the side opposite the electron beam Therefore the substrate material mustfulfill serveral requirements The atomic number must be quite low, so the X-rays can pass thatlayer without being absorbed, even at low energies Furthermore, the substrate must have

a good thermal conductivity and a high melting point so that the heat that is generated inthe tungsten layer can be conducted to the air side of the target, where it can be cooled byfans for example A performance number can be approximated by the product of thermalconductivityλ and maximum allowable temperatur Tmax A further task of the substrate is toform a mechanical closure of the vacuum vessel against the air pressure Since the target must

be thin for X-ray transmissibility, the material must be quite stable Common materials for thistask are beryllium, aluminium, diamond or other carbon configurations The simulations weredone for a 300 micron thick beryllium substrate, which forms a quite stable vaccum closure As

simulation results the diameter of the effective focal spot U F, i.e the area where photons areproduced and the X-ray production efficiency were obtained The total X-ray intensityφ and the brillance b, which is defined as the intensity divided by the source area are also important

magnitudes for some applications

generation locations

profile averaged over whole width

(c) Integral over normalized profile

Fig 5 Determination of focal spot sizes

In figure 6 the effective focal spot size U F(a), the X-ray intensityφ (b) and the brillance b (c) is

shown for several tungsten layer thicknesses and the tube voltages of 30, 70 and 120 kV Theintensities are calculated per target current

For each voltage, all curves follow a similar course The focal spot size can never be smallerthan the diameter of the electron beam, so it is nearly 200 microns in diameter with very thin

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tungsten layers, since only a few electrons interact with that layer and are barely scattered

to distant parts of the tungsten Due to the small interaction probability, the X-ray intensity

is also very low With thicker tungsten layers, the interaction probability and therefore theproduction rate of photons rises rapidly Since the average scattering angles are quite small,especially at higher voltages, the electron beam barely broadens in that layer, keeping the focalspot size almost constant The brillance rises to a maximum until the tungsten becomes thickenough so that electrons can be scattered multiply, reaching distant parts of that layer, wherethey also produce X-rays The result is an increase of the focal spot size The total number ofphotons produced and reaching the opposite side of the target still rises until the tungstenbecomes so thick, that the photons are reabsorbed by the tungsten The focal spot size getsinto saturation and the intensity is again reduced by higher target self-absorption

Fig 6 Optimization of target configuration with nano focus sources

Of course the simulations can also be done with other substrate materials and thicknesses

to find optimal parameters for a specific application The Monte Carlo simulation can alsocalculate the heat deposition in the target volume The data can then be taken into a heattransfer simulation tool to calculate the heat load capacity of the whole target

2.3 High energy imaging

Imaging of very large and dense objects such as freight containers, whole cars (especiallyengines) or parts from shipbuilding requires very high energetic radiation in the MeV range

to penetrate these objects X-ray tubes on the market are available up to voltages of 450 kV,which is by far not enough To produce high energy X-rays linear accelerators (LINACs) arecommonly used The principle in generating X-rays is the same, but the method of acceleratingthe electrons differs from X-ray tubes The electrons are emitted by a gun and accelerated bybundles in a waveguide through several copper cavities A high voltage microwave signal isapplied, which accelerates the electron bundles over several cavities up to kinetic energies ofsome MeVs

When electrons hit the target at these energies, X-ray radiation is almost solely produced inthe direction of the impacting electrons, so X-ray targets work exclusively as transmissiontargets The relativistic Lamor formula describes the angular distribution of bremsstrahlunggeneration (Jackson, 2006):

7Monte Carlo Simulations in NDT

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choose appropriate radiation geometries for different object sizes, the radiation field has to becalculated and taken into account.

We modeled a commonly X-ray target made of 800μm copper and 450 μm tungsten The

electron beam was modeled as a parallel and monoenergetic beam The intensity cross-sectionwas gaussian in shape with a FWHM value of 1 mm We calculated the angular X-ray intensitydistribution for energies from 1 to 18 MeV (see 7)

Fig 7 Simulation setup for X-ray generation with a LINAC target

The results are shown in 8 The theoretically calculated distribution looks quite different tothe simulation results The Lamor formula assumes all electrons travelling in the forwarddirection (θ =0) when generating bremsstrahlung In reality the electrons can be scattered

by collisions with other electrons and atomic cores while changing their direction beforegenerating bremsstrahlung The forward peak is blurred to higher angles The absoluteintensity increase with electron kinetic energy is described very well and corresponds to thetheory

2.4 Efficiency optimization

Some applications get along without high resolution or high energy sources Sometimes ashort measurement time is most essential Inspection systems within an industrial productionline have to measure prefabricated parts within a production cycle When inspecting partswith computed tomography for reconstructing the whole 3-dimensional volume, this task isquite demanding, since the parts must be radiographed from several hundred points of view

in a short time The most important component to achieve this is a highly intense radiationsource, that works normally with moderate voltages between 80 to 225 kV Most X-ray tubeshave fixed targets, where the electron beam hits the same spot on the target the whole time.The electron beam current is therefore limited due to heating up this focal spot For medicalX-ray imaging, there are tubes with rotating targets since 1933 The electron beam hits thetarget not in a single spot, but in a circular path The load with rotating targets can be enhanced

by a factor of approximately ten compared to fixed targets The reasons why rotating targetsare not common in industrial X-ray imaging are locally unstable and quite big focal spots of

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(a) Calculated with Lamor formula (b) Simulated with ROSI

Fig 8 Analytically calculated and simulated angle distrubutions for generated X-rays in aLINAC target at high energies

about 800 microns or more and their very high price They only are used where measurementtime is crucial

With Monte-Carlo simulations some work was done to improve the allowed target load bymodifying both the electron beam geometry and target composition with rotating anodes(Sukowski, 2007) This work was done with a medical X-ray tube, but since industrial X-raytubes are derived from medical tubes, the results can be conveyed to industral tubes withoutdifficulty Under variation of the tungsten layer thickness, the emitted X-ray intensity andenergy deposition in the target was simulated The 3-dimensional energy distribution can betransferred to finite element simulation programs to calculate the temperature distribution insteady state while taking cooling effects into account With the simulation results, optimizingthe electron beam and target geometries is possible

3 Simulation of X-ray detectors

3.1 Types of detectors commonly used in NDT

In almost all X-ray imaging applications, line or area pixel sensors are used An X-rayimage is virtually the spatial distribution of the X-ray radiation intensity hitting the sensorarea When X-rays interact with the sensor material, energy is transferred to the sensor andconverted into an electrical signal The signals are amplified and digitized pixel by pixel to anumeric value The spatial pixel value distribution can be visualized by a color or more oftenused grey brightness scale In a positive X-ray image, bright areas correspond to high X-rayintensity, where almost no material is between the X-ray source and the detector, while darkareas are usually covered by thick or heavy parts of the specimen (see 2) In the simulationstudies we focused on characterizing flat-panel pixel detectors with squared or rectangularsurfaces, which are the most used detectors Basically there are two types of flat-panel detectortechnologies that differ in the way of conversion from X-ray energy deposition to an electricalsignal (Beutel et al., 2000)

3.1.1 Indirect converting detectors

Most flat-panel detectors convert the X-ray energy deposition in an indirect way into anelectrical signal The X-ray detection mechanism is based on a scintillator X-rays interactingwith a scintillator ionize the atoms, causing emission of fluorescence light due to exited-state

9Monte Carlo Simulations in NDT

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deactivation The energy level differences of some elements in a typical scintillator are in therange of some electronvolts The fluorescence light emitted from the scintillator is thereforevisual light that can be detected by a photo diode array which is arranged just behind thescintillator layer (Beutel et al., 2000).

3.1.2 Direct converting detectors

Unlike scintillator based detectors, direct converting detectors usually consist of asemiconductor material as sensor layer The semiconductor is assembled between twoelectrodes One electrode is continuous over the whole sensor area, while the other electrode

on the opposite side consists of many small solder beads which resemble the detector pixels.Between the two electrodes a voltage is applied so that the semiconductor is completelydepleted of charge carriers When X-rays interact with the semiconductor, they transfer energy

to bound valence electrons, generating free electron-hole-pairs, which drift to nearby electrodebeads due to the electrical field within the semiconductor At the electrodes a current can bemeasured, which is proportional to the energy deposited by the X-rays (Beutel et al., 2000)

3.1.3 Detector properties

Regardless of application, a perfect detector should fulfill two essential characteristics First,every X-ray photon hitting the detector surface should create a signal Since X-rays can passmatter, what makes them usefull after all, they also can pass the detector without being

detected The fraction of detected photons N d to photons hitting the detector N0 is notexceeding 1 and is called the detection efficiencyηdet

ηdet= N d

Especially at high photon energies, the efficiency can be quite low, so the measurement timemust be increased for obtaining low-noise images The efficiency depends on the choice ofthe sensor material, but mainly on the thickness of the sensor layer Since X-ray intensitydecreases exponentially with the path length in material, increasing the sensor thickness cansignificantly improve the detection efficiency

The second important characteristic for spatial resolving detection systems is the ability todetermine the location where an X-ray photon hits the detector surface In the best case,X-rays are not only detected efficiently, they rather should be detected exactly where theinitial interaction took place Unfortunately, this is usually not the case When X-rays areabsorbed by a material, their kinetic energy is transferred to one or more electrons Theseelectrons propagate through the medium while transferring parts of their kinetic energy toother electrons until stopped The path length of electrons in matter can reach some tens

of microns Therefore the signal is blurred over a certain volume Another effect can cause

a longer range, but less intense signal blurring X-rays are not always absorbed by matter,they can also be scattered, transferring only a part of their energy at the location of theirinitial interaction, what is called Compton scattering The scattered photon with the remainingenergy can be absorbed in a detector volume quite far away (up to some centimeters) fromtheir first point of interaction, causing two or even more signal spots These two effects occur

in both detector types and can be calculated very well by ROSI They depend on the layercomposition (materials and thicknesses) of the detector In scintillator based detectors there isone more effect that dominates the signal blurring When X-rays are converted to visual light

in the scinitllation layer, this light is emitted isotropically to all directions To be detected, it

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has to reach the photo diode layer, where it can be spread over some pixels This blurringscales highly with the distance from the point of light generation to the photo diode layer.Therefore thick scintillators, where light can be produced quite far away from the photodiode layer often yield a poor spatial resolution The principle is shown in 9 Signals areclearer distinguishable with thin scintillators, but the efficiency is reduced Every applicationdemands a different trade-off between efficiency and spatial resolution The generation,absorption and propagation of visible light in media and on material borders can be described

by DETECT2000 (G McDonald et al., 2000), also a Monte-Carlo simulation code

Fig 9 Signal blurring in a scintillator based detector due to spread of visual photons

For evaluating the relation between the detector properties and their layer composition, onedirect converting and one indirect converting detector with 100μm pixel pitch each were

modelled with layer compositions shown in 1

Detector type Direct converting (DIC) Indirect converting (IDC)

Table 1 Detector layer compositions

11Monte Carlo Simulations in NDT

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3.2 Simulation of detector properties

3.2.1 Spatial resolution

Like X-ray sources, detectors can be used for a vast amount of applications that demandentirely different properties Most applications require a good spatial resolution, at least toresolve all details that have to be seen during an inspection In the last section some effectswere introduced that can affect the spatial resolution The division of the detector in severalpixels and their size of course is the most important parameter, but it is mere a numericalissue The effective spatial resolution can be tested with a double wire test specimen according

to the european norm EN462-5 The specimen consists of several pairs of platinum wires withdifferent diameters ranging from 50 to 800 microns The diameter of each wire of a pair is alsothe distance between them This test pattern is placed right in front of the detector entrancewindow to avoid blurring due to the focal spot It is also rotated by about 3 degrees to avoidaliasing artifacts The basic spatial resolution (BSR) can then be derived from the intensityprofile perpendicular to the wires For NDT imaging, the BSR is defined as the theoreticaldiameter and distance of a wire pair, when the contrast of the space between the wires is

at least 20% To calculate this value, the contrast Chigh of the wire pair with more than 20%

contrast (diameter dhigh) and the contrast Clowof the wire pair below 20% contrast (diameter

dlow) is determined The theoretical diameter dBSRof a wire pair with exactly 20% contrast iscalculated using linear interpolation

dBSR= 20%− Clow

Chigh− Clow·dhigh− dlow



The method is also illustrated in 10 The contrast is calculated from the signal differences

Chigh = Sspace,high/Swire,high and Clow = Sspace,low/Swire,low The BSR is often given as aspatial frequency in line pairs per millimeter

fBSR= 1

Another magnitude often used by detector manufacturers is the modulation transfer function(MTF) Is is usually measured placing a high absorbing plate in front of the detector with avery sharp and straight edge The intensity profile perpendicular to the edge is called the edgespread function (ESF), differentiating it results in the line spread function (LSF) The MTF isobtained with fourier transformation of the LSF

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Fig 10 Method for determining the BSR using the intensity profile along the BSR462-5double wire specimen

3.2.1.1 BSR test results

BSR images were obtained using the following simulation parameters:

• X-ray source: 3 different voltage, prefilter and focal spot size combinations

30 kV, no prefilter, 2μm focal spot size

160 kV, 4 mm aluminium prefilter, 300μm focal spot size

450 kV, 4 mm copper prefilter, 2.5 mm focal spot size

• Distance from source to detector: 1 m

• Irradiated detector area: 102.4 mm x 25.6 mm (1024x256 pixels)

• Object placed directly in front of the detector with a rotation of 3 degrees

• Number of simulated photons per image: 109(4000 per pixel)

The images taken with both detectors are shown in 11 The blurring due to optical photonscattering in the image taken with the IDC detector can clearly be seen, the DIC image is quitesharper The resulting BSR values are shown in 2 In the DIC detector, the signal blurringoriginates from X-ray photon scattering in the detector volume Since the scattering crosssection increases with photon energy, the BSR values also increase with the mean spectrumenergy In the IDC detector, signal blurring is dominated by scattering of optical photons Themean interaction depth of photons increases with photon energy, so interactions occur closer

to the photo diode matrix The result is a better resolution with higher energies in contrast toDIC detectors

3.2.1.2 MTF determination

For obtaining MTF images, almost the same parameters were used as for BSR images To savesimulation time, a smaller area of only 12.8 mm x 12.8 mm (128x128 pixels) was irradiated

13Monte Carlo Simulations in NDT

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(a) IDC (b) DIC

Fig 11 Images of EN462-5 double wire test pattern

Direct converting (DIC) Indirect converting (IDC)Spectrum BSR /μm freq / lp/mm BSR / μm freq / lp/mm

Fig 12 MTF image and edge spread function taken with IDC detector at 30 kV

Figure 13 shows the calculated MTFs of both detectors The DIC detector performs better,especially at higher frequencies where optical photon scattering has the largest influence At

Trang 29

low frequencies on the other hand, the long ranged X-ray scattering processes dominate TheMTF drops quickly at high energies at the beginning of the MTF curve (low frequency drop).

Fig 13 MTFs for both detectors

(140μm), so high energy photons can still be detected with a fair efficiency.

Direct converting (DIC) Indirect converting (IDC)

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of complete X-ray non-destructive-testing (NDT) devices For X-ray imaging devices e.g thecomplete life cycle of each single particle (X-ray photon) including all secondary particles(secondary electrons) can be simulated in detail if needed The accelerated electrons hitting thetube target emitting bremsstrahlung and characteristic radiation depending on the thicknessand layer materials of the target The generated X-ray photons travel to the specimen andinteract via Compton scattering or photoelectric effect Behind the object the interactions ofthe photons when hitting the detector can also be studied in detail with all occuring effectslike distribution of deposited energy in the detector due to X-ray scattering and the range ofthe secondary electrons (photo electron).

X-ray system design for the inspection of not yet common specimen, whereupon not yetcommon means, new in object size, new in material or material combination, new in aspectratio or also new in the task is sometimes challenging, specially if the specimen and theparameters for X-ray imaging can not be directly derived from former measurements ofknown objects or the predicted hardware for the inspection system is not available

Subject to the task inspection systems for non-destructive-testing applications can havedifferent geometries resulting in different requirements for its geometry and usedcomponents A complete overview of X-ray NDT systems and its applications would be gotoo far but the commonly used principles to mention are radioscopy, computed tomography(CT) and X-ray fluorescence methods

Independent of the method, the same questions are always of interest when a new inspectionsystem is to be evaluated Most of interest are boundary conditions like the measurementtime or the throughput, the possibility of detection of imperfections or the expected pureness

of the separation of the bulk material The answers are often dependent on each other and thechallenge is not only if the task is likely to be solved, but also with what quality at what speed.Therefore derived from the task the system has to be designed in virtual reality and virtualoptimizations of the setup have to be done with Monte-Carlo simulations With the help ofsimulations the expected performance of the planned system can be predicted

4.1 Radioscopy

In radioscopy each specimen is projected on a detector resulting in a 2D image representingthe X-ray absorption coefficient of the penetrated material along the X-ray path throughthe object With this technique e.g aluminum casting parts for automotive industry can beinspected and analyzed for defects which might result in a failure of the part during operation.For safety reasons each part in the production line has to be inspected which leads to a need

of a very high throughput The challenge is always to find an optimal trade-off between highthroughput and high image quality The higher the throughput the lower the image qualitydue to statistical reasons and the lower the performance of the automated image analysissoftware of the inspection system

A lot of effects affect the image quality in radioscopy systems By optimizing the throughput

of the inspection system it is of essential interest to suppress all effects reducing the imagequality One effect e.g is the scattered X-ray radiation from inside the specimen duringinspection which hits the detector and reduces the contrast and sharpness of the projection.This effect leads to reduced possibility of detection of small defects With the Monte-Carlosimulation is it possible to simulate the scattering effects in the specimen and also thedistribution of the scattered radiation on the detector If we know the intensity distribution

of the scattered radiation from the specimen on the detector, it can be subtracted from thereal image taken during the inspection With this operation it is possible to get images of the

Trang 31

specimen with nearly no intensity of scattered radiation resulting in better contrast and highersharpness of the image In 14 the simulated projection of a step wegde and the simulatedintensity distribution of the scattered radiation is shown Simulation is the only way to get arealistic and not approximated intensity distribution of scattered radiation.

Fig 14 From left to right: simulated projection of a stepwedge, scattered radiation on thedetector

4.2 Computed tomography (CT)

With computed tomography a 3D distribution of the absorption coefficients of the specimencan be generated providing complete 3D information about the object The specimen is X-rayprojected like many radioscopic images from different angles and the projections can bereconstructed to a 3D volume dataset of the object which can be analysed in 3D

State of the art e.g in cargo scanning systems for airport security and customs purposes are2D scanners providing the personnel only with 2D projections of the freight containers Due

to the overlay projection of different objects in the container the objects often cannot be clearlyseparated Driven by this lack of information the idea is to evaluate if it is possible to make acomplete CT of the freight container to get the real 3D information The experimental setup

of such a CT system would lead to an investment of expensive equipment The other way is

to virtually design and setup an air cargo scanning system in the Monte-Carlo simulation toolwith parameters of real components and make the evaluation with simulations The virtualsetup can be seen in 15

With this virtual setup in the Monte-Carlo simulation it is possible to predict the expectedimage quality and recognizability of different materials and objects in an air cargo containertogether with the scanning times to be expected In 16 the results of the simulation are shown

as reconstructed slices of the air cargo container and its content

4.3 X-ray fluorescence analysis (XRF)

For the separation of all kinds of bulk material X-ray transmission or X-ray fluorescencemethods in combination with a band-conveyor could be a possible solution Also here isthe question at what speed, with what purity and with what spatial resolution the bulkmaterial can be separated With the Monte-Carlo simulation tool it is possible to simulatethe complete process beginning with the optimization of the excitation spectrum, over theexcitation of the bulk material with the energy distribution and detection of the excited

17Monte Carlo Simulations in NDT

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Fig 15 Sketch of the CT simulation setup of an air cargo container with a LINAC as X-raysource and a 5 m detector array rotating around the container.

Fig 16 Left side: One slice of the air cargo container and its content (ideal simulation) Rightside: Reconstructed slice of the air cargo container based on simulated projections withreconstruction artifacts due to beam hardening and scattered radiation

spectrum as a function of different parameters like geometry or X-ray energy In virtual reality

a lot of different parameters in energy, detector systems and geometries can be simulatedand evaluated without any real experimental setup The virtual setup is shown in 17 Thesimulated detected spectrum of our detector system is shown in 18

4.4 Dosimetry

Radiation damage due to inspection of some specimen is sometimes a question For examplethe dose applied to the content of freight containers or to the electronic parts in PCB inspectionsystems is of interest to obviate radiation damage and therefore malfunction of the goods

In the MC-Simulation all objects can be defined as detectors which sum up the depositedenergy due to the radiation interactions With summing up the deposited energy it is possible

to directly recalculate the applied dose to the specimen in the virtual inspection Withsuch calculations it is possible to evaluate and predict the applied dose to goods in freightcontainers which could be expected with a planned inspection system before the system

is set up

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Fig 17 Setup of the virtual XRF system for evaluation of the expected performance The highpower tube is located above the band-conveyor and to the right of the tube the XRF detectorsystem is located.

Fig 18 Simulated excitation spectrum and the resulting excitated spectrum of a copperspecimen

5 Conclusion

With the X-ray Monte-Carlo simulation ROSI many scenarios can be modelled and calculatedrealistically These reach from X-ray generation over imaging applications to X-ray detection.ROSI has also some limitations, since it assumes that electrons and photons have solelyparticle character If effects are based on their wave character, another approach has to bedone to describe these effects The simulation of optical light propagation with DETECT2000

is a good example how several simulation codes can be combited to achieve excellent results.Heat generation in X-ray targets and cooling mechanisms can’t be dscribed by ROSI directly.But the simulation can provide valuable data for other simulations like finite elementprograms, where dynamic heat transfer processes can be calculated from 3-dimensional heatenergy distributions over the target volume

Many studies are already done with ROSI to design X-ray targets, detector or whole X-raydevices The development of ROSI still goes on to include more detailed effects and simulationpossibilities

19Monte Carlo Simulations in NDT

Trang 34

6 References

Nelson W.R.; Rogers D.W.O & Hirayama H (1985) The EGS4 Code System, Stanford Linear

Accelerator Report SLAC-265, Stanford, CA 94305

S Agostinelli et al (2003) Geant4 - A Simulation toolkit, Nuclear Instruments and Methods A

506, pp 250-303

H Morneburg (1995) Bildgebende Systeme für die Medizinische Diagnostik, SIEMENS

Publicis MCD Verlag, ISBN 978-3895780028

J Beutel; H.L Kundel & R.L Van Metter (2000) Handbook of Medical Imaging, Volume 1,

SPIE Press, Bellington, Washington, USA, ISBN 0-8194-3621-6

J Giersch & A Weidemann (2003) ROSI: An object-oriented and parallel computing

Monte-Carlo simulation for X-ray imaging, Nuclear Instruments and Methods A 509,

pp 151-156

F Sukowski (2007) Entwicklung von Hochleistungsröntgenröhren mit Hilfe von

Monte-Carlo-Simulationen, Dissertation, Friedrich-Alexander-University ofErlangen-Nuremberg, Erlangen

J.D Jackson Klassische Elektrodynamik (2006), de Gruyter, ISBN 978-3110189704

G McDonald; C Moisan; F Cayounet DETECT2000 the object-oriented version of DETECT,

Laval University, Quebec City

Trang 35

Yu-Xuan Ren1, Jian-Guang Wu2and Yin-Mei Li31,2,3University of Science and Technology of China, Hefei, 230026

2AnHui University of Technology, Maanshan, 243032

People’s Republic of China

1 Introduction

The concept of optical tweezers(Ashkin et al., 1986) was first conceited by Ashkin et al in 1986.From then on, optical tweezers expands broad research application areas, such as colloidalsciences(Pesce et al., 2009), biophysics(Abbondanzieri et al., 2005; Zhang et al., 2006) andstatistical mechanics(Li et al., 2010; McCann et al., 1999) Generally, the probe in opticaltweezers’ experiment is micrometer-sized or nano- bead, e.g polystyrene bead, which can

be stick to glass surface or chemically linked to biological macromolecules to further revealthe mechanical properties of molecules such as protein or DNA The trapped bead in opticaltweezers is not stationary like mechanical tweezers; it may suffer from random work withits displacement signal obeying Brownian statistics Analysis of the Brownian motion signal

of the trapped probe generates numerous information of the macromolecules, e.g force, stepmotion Therefore, the motion of probe is of great importance in these experiments MonteCarlo technique provides simulation tools in these experiments to theoretically study themotion of beads in optical tweezers to further reveal the new phenomenon that governs thenature of trapped beads, the characteristics of the optical trap itself and even the mechanicalproperty of macromolecules chemically linked with the trapped microsphere

The optically trapped microsphere encounters numerous collisions from the surroundingmolecules, which constitutes the origin of random forces The trapped bead behaves like

a drunker doing random walk The topic of analyzing the motion equation of the trappedbead is in the scope of Monte Carlo simulation In this chapter, we start with the description

of light induced radiation force and review the hydrodynamic equation that describes theBrownian motion of trapped bead in optical tweezers in the second and third part, followed

by adoption of Monte Carlo simulation in this specific case In the fourth and fifth parts ofthis chapter, we show the application methods by presenting two examples of time-sharingoptical tweezers and oscillatory optical tweezers in sequence The sixth part of this chapterdiscusses potential applications of Monte Carlo simulation in practical colloidal sciences such

as artificially induced collision by optical tweezers This chapter is summarized in the lastpart

2 Principle of optical tweezers

In macroscopic world, one may use a mechanical tweezers to manipulate an object firmly.What about microscopic manipulation? Optical micromanipulation provides a non-contact,

Application of Monte Carlo Simulation

in Optical Tweezers

2

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low destructive and gentle means to manipulate microscopic objects Ashkin et al had provedthat tightly focused laser beam is able to confine microsphere, such as cell, flagellar, colloidsetc, due to radiation pressure of light This concept was then developed to a widely usedtool, optical tweezers The detailed analysis of optical tweezers may be found in many earlyoriginal literatures and recent review articles We here briefly review two commonly usedmethods explaining the forces of a particle in optical tweezers according to the relativegeometrical dimension of the particle to that of the wavelength.

Fig 1 Principle of optical tweezers (a) Ray tracing approach based on geometrical optics, (b)multiple dipole model with electromagnetics

The first approach illustrating the principle of optical tweezers is based on ray optics whenthe dimension of the particle is greater than the working wavelength as is shown in Fig.1(a)

In ray tracing methods, a single optic ray with a portion of power P is considered hitting

the dielectric sphere with incident angleθ and incident momentum per second n1P/c The

resultant force on the sphere is the sum of contributions due to the reflected ray of power

PR and the infinite number of emergent refracted rays of successively decreasing power

PT2, PT2R, PT2R n , The quantities R and T are the Fresnel reflection and transmission

coefficients of the surface atθ The net force from the origin can be decomposed into F z and F x

as the interaction between light field and the induced multiple dipole Followed by (Ashkin

et al., 1986), the scattering force is related to the incident power through F scat = n p P scat /c, where P scat is the scattered power In terms of the intensity I0and the effective refractive index

Trang 37

The gradient force F gradalong the direction of the intensity gradient for a Rayleigh sphericalparticle with polarizabilityα is

Both approaches are able to estimate the trapping ability We here take electromagnetic model

as an example to estimate the trapping behavior Consider the laser intensity can be rewrittenvia the time-averaged Poynting vector(Ou-Yang, 1999)

The intensity distribution relies on the type of trapping beam used Many intensity profiles can

be used in optical trapping experiments, such as Laguerre-Gaussian beam(Ren, Li, Huang,

Wu, Gao, Wang & Li, 2010; Ren, Wu, Zhou, Fu, Sun, Wang & Li, 2010), radially polarizedbeam(Kozawa & Sato, 2010), etc Here we consider the most commonly utilized single beamoptical trap with Gaussian intensity profile

whereω is the 1/e width of Gaussian intensity profile along the radial direction Inserting

Eqs 5 and 6 into Eq 4 yields

Fgrad=2n c3a3

0n

m21

m2+2re − ω2 r2 ≡ k r · re − ω2 r2 (7)The gradient force approximately satisfies Hooke’s law for significantly small displacements

with spring constant k r The spring constant characterizes how stiff the optical trap is, and ithas an alternative name, trap stiffness Experimentally the trap stiffness can be determined byequipartition theorem 12k B T = 1

2k  x2through measurement of Brownian motion positions,

where x stands for the position of trapped microsphere.

3 Dynamics of optically trapped beads

From the microsphere’s point of view, it encouters random forces, optical restoring force,frictional force and inertia force This provides a new approach to evaluate the trap stiffnessboth experimentally and simulatively Practically, it is a good approximation utilizing theparabolic potential well model to describe the single beam optical trap Since the microsphere

in the aqueous solution encounters numerous collisions by liquid molecules from all aroundrandomly, the microsphere moves accordingly and the one-dimensional motion equation ischaracterized by the following Langevin equation

m ¨x+γ ˙x+kx=2k B Tγξ(t) (8)

where k is the static stiffness of an optical trap, m denotes the mass of the microsphere, x(t)

represents the instantaneous position of the microsphere at time t, k B T is thermal energy,

γ = 6πηa with γ being the viscosity coefficient of surrounding medium, and ξ(t)depicts arandom Gaussian process satisfying

23Application of Monte Carlo Simulation in Optical Tweezers

Trang 38

− 2ln(u)cos(2πν), where u and ν are two uniformly distributed random numbers ranging

in(0, 1) The simulation algorithm can be deduced from Eq 8 as follows

the position at the n th time grid, ν n is the instantaneous velocity of the microspherecorrespondingly Careful attention must be taken to select proper time step to describe themotion of microsphere, since large time step may poorly describe the random process whilesmaller time step induces longer computation time

Fig 2 Brownian motion signal and its histogram The trapped bead is 3μm diameter

polystyrene microsphere and the initial optical trap stiffness 20pN/ μm in the simulation The

histogram indicates the standard deviation isσ=13.86nm.

Note that the trap stiffness k may be numerically calculated ab initio through ray optics model

or electromagnetic model regarding different sizes of spheres without consideration of opticaltransmittances and losses of instruments It is very difficult to predict accurately the actualstiffness if the shape of microsphere is different from each other Experimentally, due to limiteddetection speed and systematic noises, the actual stiffness can not be accurately determined

either We here postulate an ideal k value(true stiffness) throughout Monte Carlo simulation.

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The resultant stiffness(measured stiffness) are evaluated through commonly used methods,such as power spectra, equipartition theorem.

Fig 3 Measured stiffness varies with respect to initial stiffness under different exposure timeperformed with Monte Carlo simulation by Gong et al when the trapped bead is 1μm

diameter polystyrene bead(Gong et al., 2006)

Fig 4 Measured stiffness varies with respect to initial stiffness under different exposure timeperformed with Monte Carlo simulation by Gong et al when the trapped bead is 3μm

diameter polystyrene bead(Gong et al., 2006)

Throughout this chapter, the time step is taken as 10ns We checked the performance of the

algorithm with the following parameters: the initial position of the microsphere is in the

trap center with displacement and velocity values all 0 The temperature is 300K with the

coefficient of viscosity 0.801×10−3 kg/(m · s) The trapped bead is 3μm diameter polystyrene

25Application of Monte Carlo Simulation in Optical Tweezers

Trang 40

microsphere with initial optical trap stiffness 20pN/ μm The simulated trajectories describing

the stochastic motion process of the bead is illustrated in left part of Fig.2 The right handside of Fig.2 indicates the histogram with its standard deviationσ= 13.86nm Accordingly,

one can calculate the measured stiffness by Monte Carlo simulation through equipartition

theorem with the result that k mea=k B T/  σ2 = 21.7pN/ μm, which is greater than the initial stiffness 20pN/ μm This indicates that the measured stiffness deviates upwards to the initial

stiffness or exact stiffness and is of great significance for actual experiments to select properexperimental parameters, such as exposure time of detector To further reveal the relationshipbetween the measured stiffness and initial stiffness, Gong et al performed a series of MonteCarlo simulations with different integration times(Gong et al., 2006) Fig.3 shows this relationfor 1μm diameter polystyrene microsphere with integration time 0.01ms, 0.1ms, 0.5ms and 1ms

correspondingly denoted by square, circle, upward triangle and downward triangle The total

data collection time in the simulation adopts 5s We conclude that the higher the acquisition

time of the measurement is for a trapping system, the more the measured stiffness valuesdeviate upwards from the initial values

Another series of simulation were performed for 3μm diameter polystyrene spheres with

similar conclusions as is illustrated in Fig.4 Two conclusions can be made according tocomparision between Figs 3 and 4 First, for those beads with greater geometrical parameters,the measured stiffness deviates smaller than those with smaller spatial dimension with thesame initial stiffness and exposure time Second, the measured stiffness for less stiffer trapdeviates upwards smaller than that for more stiffer trap for polystyrene beads with differentsizes The significance of these findings is that in biophysical experiments, researchers mayselect significantly larger beads as probe instead of smaller ones when the integration time

is not small enough Alternatively, significantly smaller integration time is employed whenthe probe adopts smaller nanometer-sized beads, but it cannot be infinitely small due to thelimitation of the data acquisition speed of modern detectors

In order to verify the dependence of measured stiffness with respect to initial stiffness, Gong et

al analysed the relation with power spectrum as comparison(Gong et al., 2006) Results fromboth methods agree well with each ether This reflects that our algorithm performs well andcan be used for further research

4 Effecitive stiffness of time-sharing optical tweezers

Time-sharing optical tweezers (TSOT) (Liao et al., 2008; Wu et al., 2009) is a very effectivetechnique that produces multiple optical tweezers by splitting a single laser beam atdifferent time intervals to stretch bio-macromolecules or the membrane of human redblood cells Experimental physicists use various kinds of instruments, such as acousto-opticdeflector(AOD)(Emiliani et al., 2004)or a piezoelectric scanning mirror(Mio et al., 2000;Sasaki et al., 1991) to translate light slightly at different frequencies to fulfill quasi-stationarymultiple optical traps(Dame et al., 2006).Some novel and practical means are also employed

to perform the same function, and a typical example is the rotating glass based time-sharingtechnique(Ren, Wu, Chen, Li & Li, 2010) Though the above methods employed are differentfrom each other, the realized quasi-stationary traps are all TSOT In TSOT, The laser beamserves a certain trap at a time interval and immediately switches to another spatial location

to serve a new one as is illustrated in Fig.5 For a specific location, the laser switches on andoff periodically Sequential diagram of a trap formed through time-sharing technique is alsoshown in Fig 5 The ratios of durations with laser on and off is defined as duty ratio of a TSOTwith the following form

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