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Abstract
A Monte Carlo code, known as advanced alpha-spectrometric simulation (AASI), is developed for simulating energy
spectra in alpha spectrometry. The code documented here is a comprehensive package where all the major processes
affecting the spectrum are included. A unique feature of the code is its ability to take into account coincidences between
the particles emitted from the source. Simulations and measurements highlight the importance of coincidences in high-
resolution alpha spectrometry. To show the validity of the simulated results, comparisons with measurements and other
simulation codes are presented.
r 2005 Elsevier B.V. All rights reserved.
0168-9002/$ - see front matter r 2005 Elsevier B.V. All rights reserved.
doi:10.1016/j.nima.2005.05.045
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426 T. Siiskonen, R. Pollanen / Nuclear Instruments and Methods in Physics Research A 550 (2005) 425434
the alpha particles continuously lose their energy 2. Properties of the source and particle tracking
as they travel through matter. The energy loss
leads to degradation of the spectrum quality via Particle propagation through a material layer is
peak spreading, which increases with as the SDD determined by two physical processes: direction
is reduced. changes (scattering) and energy loss. The algo-
Simulations can be used to investigate the rithm for particle propagation in a given material
inuence of various phenomena on the spectrum layer proceeds as follows:
quality. The most important factors can be singled
out and the measurement setup can be optimised. (1) Emit a particle from a randomly selected point.
Moreover, unknown properties of the source, such (2) Calculate the distance, i.e. step length to the
as source density (or thickness) or source particle next scattering (or photoabsorption) event
properties, can be determined. This is important, using the cross-section data.
especially in the case of direct alpha spectrometry, (3) If the particle is charged, adjust the step if a
when radiochemical sample treatment is omitted. boundary of absorbing material is crossed.
The particle beam attenuation and interactions in Calculate the continuous energy loss during
basic research can also be examined. the step.
Many Monte Carlo simulation packages, such (4) If the particle energy is below the cut-off value,
as the TRIM package [1], the GEANT software stop tracking.
suite [2], and MCNP code [3], are suitable (5) If the particle crossed boundary of the material
for simulating the alpha particle behaviour in the layer, proceed to the next layer if one is
medium. However, these packages are not neces- present. Otherwise, stop tracking.
sarily optimal for alpha spectrometry simulations. (6) Determine the next direction vector, i.e.
More specic approaches to alpha-spectroscopic scattering angles.
simulations include the backscattering study (7) If the particle is a photon, determine the energy
of Ferrero et al. [4] and the investigation loss in the scattering or photoabsorption event.
of aerosol particles by Pickering [5]. Roldan (8) Goto (2).
et al. [6] examined the spectrum quality at a
small SDD. Here, characteristics of the source as well as the
The present Monte Carlo simulation code, particle tracking method, i.e. determination of the
known as Advanced Alpha-spectrometric SImula- scattering angles, are described. Calculation of the
tion (AASI), is designed to simulate alpha-particle energy loss of alpha particles, electrons and
energy spectra. It is intended to be a comprehen- photons is presented in the following sections.
sive simulation package where all the major
processes inuencing the energy spectrum are 2.1. Source
included. Samples of various types (aerosol
particles, thick samples, non-uniform samples, Particle emission can originate from a point or
etc.) are accommodated. Coincidences between from a nite-sized object. These objects, e.g.
the emitted particles are calculated using nuclide- aerosol particles, can be embedded in the source
specic decay data that are stored in a library le matrix. The composition of the source matrix and
prepared in extensible markup language, XML. the objects that emit radiation need not to be the
Although the code has so far been applied to the same. For example, alpha particles can be emitted
simulation of alpha particle energy spectra from from an aerosol particle located inside a glass-bre
environmental samples, it can also be used for lter. In the spectrum simulations the number of
other applications. The typical running time on a alpha particle emissions is given in the input.
1.6 GHz Pentium PC varies from seconds to a The thickness of the source can be subjected to
couple of minutes depending on the complexity of random uctuation that is assumed to follow a
the simulation problem. The code is written in Gaussian distribution with a user-given standard
Fortran 95. deviation s. To prevent impossibly large thick-
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T. Siiskonen, R. Pollanen / Nuclear Instruments and Methods in Physics Research A 550 (2005) 425434 427
nesses, the resulting source thickness H s r is standard deviation of the efciency, is given in
limited to the input. Calculation of the geometrical detection
efciency is necessary, for example, in direct alpha
0pH s rpH ss (1)
spectrometry when radiochemical sample treat-
where r is the radial position inside the source, s is ment is omitted. Tracers cannot then be used for
a user-given parameter and H is the nominal quantitative activity determination.
(mean) thickness. The measurement setup, consisting of the
Coordinates of the source particles are sampled source, source backing, absorbing material layers
as described by Siiskonen and Pollanen [7]. For and the detector, can be plotted in a le for visual
sources with a random thickness and convex or inspection. Library routines for plotting were
concave sources, the vertical coordinate is sampled written by Kohler [8].
by the rejection method. Convex and concave
source shapes are described with a paraboloid of 2.2. Particle tracking
revolution. The user of the code supplies the
central and side thicknesses of the source. If the Electrons are tracked when they travel in the
source thickness is zero, all source particles lie on a source, in the source backing and in the detector,
plane. including its dead layer. Photons are only tracked
Source particles can have a spherical or elliptical inside the detector (including its dead layer). Alpha
shape. Spherical source particles can have a log- particles are tracked in the source backing for
normal size distribution. Inactive source particles backscattering studies. Otherwise, particles are
can be coated with a uniform layer of radioactive assumed to travel in straight paths. The tracked
material. In addition, a spherical shell of inactive particle is followed until it escapes the absorbing
material can be placed around a spherical source material or its energy falls below a cut-off value.
particle. When crossing a boundary between two adjacent
The distance of the source particles from the absorbing layers, the tracking step length is adjusted
source surface can be exponentially distributed so that the step does not cross the layer boundary.
inside the source matrix. This is a useful feature for Particle tracking starts with the sampling of the
investigating air lters in which radioactive aerosol initial emission coordinates. The initial emission
particles are accumulated. This option is only direction y0 ; f0 is chosen from a uniform
available for cylindrical sources without thickness distribution. Following the emission, the cosine
uctuations. The distance d i of a source particle i of the polar angle yn (see Fig. 1) of the tracked
from the source surface is obtained from particle is determined by
d i l ln xi (2) cos yn cos o cos yn1 sin o sin yn1 cos c (3)
i where yn is the polar angle after nth scattering, o is
where x is a random number between 0 and 1, and
l is the mean penetration depth given by the user. the scattering polar angle and c is the scattering
Another user-given parameter, f, determines the azimuthal angle. The cosine and sine of the
fraction of the particles to be distributed according azimuthal angle fn are given by
to Eq. (2). The rest, fraction 1 f , is distributed sin fn sinfn fn1 cos fn1 cosfn fn1
on the source surface (d i 0). Particles which
have d i larger than the source thickness penetrate sin fn1 4
the source and are ignored. The total number of
emissions from the source is reduced accordingly. cos fn cosfn fn1 cos fn1 sinfn fn1
An average solid angle subtended by the sin fn1 5
detector, the geometrical detection efciency, is where
calculated. This is the number of hits received by
the detector divided by the number of alpha sin o sin c
sinfn fn1 (6)
particle emissions. The desired accuracy, the sin yn
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428 T. Siiskonen, R. Pollanen / Nuclear Instruments and Methods in Physics Research A 550 (2005) 425434
A and
T. Siiskonen, R. Pollanen / Nuclear Instruments and Methods in Physics Research A 550 (2005) 425434 429
particle and an atomic electron, E max , given where a0 is the Bohr radius. The effective
approximately by 2me c2 b2 g2 . The parameter g is charge of the alpha particle, zeff , is calculated
dened through gma c2 E, where E is the energy as described in Refs. [9,11]. The mean free
of the alpha particle. The deviation is given by [2] distance (step length) between the collisions, L, is
sampled from
b2
s2G E max d 1 (12)
2 L sEN1 ln x (18)
where b is the alpha particle velocity in units of c. where N N A r=A is the atomic density and N A is
Parameter d is the average energy loss in the the Avogadro constant. The mean atomic spacing
material layer in question, N 1=3 is used as a step length if LoN 1=3 .
Z Moreover, if the energy loss between two succes-
d 0:0614 r dx keV. (13) sive collisions is more than ve percent of the
b2 A
alpha particle energy, the step length for the
Here, Z and A are the atomic and mass number of energy loss calculation is reduced until the loss is
the target, respectively, r is the material density in less than ve percent.
g=cm3 and dx is the distance travelled in micro- Angular deection in the scattering event from a
meters. potential (14) is given by
2Zx
3.3. Scattering in the source backing plate cos o 1 (19)
1Zx
Alpha particles can be tracked in the source and c 2px (the xs are independent random
backing plate. Screened elastic Rutherford scatter- numbers).
ing is used to determine the changes in the ight
direction. Between the elastic collisions, alpha
particles are assumed to lose their energy con- 3.4. Detector response to alpha particles
tinuously. The mean free distance between the
collisions is calculated from the potential Alpha particle energy loss in the detector dead
layer is treated as described in Section 3.1. When
e2 2Z r=a
V r e (14) the alpha particle hits the active volume of the
4p0 r
detector, all its remaining energy is assumed to be
where a is the screening radius, e is electron charge deposited. In other words, alpha particles are
magnitude, 0 is the permittivity of free space and r neither tracked nor is their energy loss calculated
is the radial distance. The resulting total cross- in the active volume of the detector. Instead, a
section is simplied solution is chosen which notably reduces
the calculation time.
Z2
sE p_ca2 (15) The properties of the detector are read from the
E 2 ZZ 1 user-prepared le. The parameters are the atomic
where a is the ne structure constant and screening and mass numbers of the detector material,
parameter detector radius and thickness, dead layer thick-
2 ness, detector full-width at half-maximum
_ 1 (FWHM) and the parameters of the exponential
Z . (16)
a 8ma c2 E tailing function.
Measurements show that the detector response
The screening radius is given by [10]
to monoenergetic alpha particles is not Gaussian
0:885a0 [1214]. To take this into account, a double-
a q (17)
2=3 exponential tailing function can be added to the
zeff Z2=3 detector response. The resulting energy E is
ARTICLE IN PRESS
430 T. Siiskonen, R. Pollanen / Nuclear Instruments and Methods in Physics Research A 550 (2005) 425434
4.2. Photons
0:36 1:20aZ=b2
ZM a2 Z 2=3 (23)
tt 2
Photons are assumed to interact via photoelectric
where t E e =me c2 and me is the mass of the absorption and Compton scattering. Pair produc-
electron. tion is ignored, since we are interested in low-energy
Between the elastic collisions the electrons phenomena. The mean free distance is calculated
continuously lose their energy. The energy loss is from the total cross-section of the above-mentioned
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T. Siiskonen, R. Pollanen / Nuclear Instruments and Methods in Physics Research A 550 (2005) 425434 431
432 T. Siiskonen, R. Pollanen / Nuclear Instruments and Methods in Physics Research A 550 (2005) 425434
route is followed until the ground state is reached. 6. Comparisons with measurements and other
For each emitted particle, the emission direction is simulations
sampled. After the conversion electron emission,
an X-ray is emitted before the cascade is followed Geometrical detection efciency and the alpha
further. We assume that each conversion electron particle energy loss were investigated by Siiskonen
is associated with X-ray emission. This is a and Pollanen [7]. They found an excellent agree-
simplication, since we overlook uorescence ment with earlier results and measurements. To
yields and Auger electrons. The approximation is further conrm the homogeneity of the emission
good for heavy elements, whose K-shell uores- point distribution inside a source, we compared a
cence yields are close to 100%. simulated alpha particle energy spectrum from a
If the particle deposits energy in the active thick sample with one obtained by numerical
volume of the detector, a coincidence is formed integration. In the comparison, a parallel alpha
and deposited energy is added to the alpha particle particle beam was considered (corresponding to a
energy. If cascade consists of n subsequent decays, very large SDD, polar angle y 0) in order to
the alpha particle can be in coincidence with mpn keep the numerical integration tractable. The
particles. Deposited energies of those m particles agreement between the simulated spectrum and
are then added to the alpha particle energy. the one from numerical integration is good (Fig.
The algorithm to calculate the coincidences 2). This conrms the homogeneity of the emission
proceeds as follows: point sampling, which is qualitatively also shown
in Ref. [24]. Equally good agreement was obtained
when the source was assumed to be spherical in
(1) Check that decay routes exist, i.e., transitions shape (results are not shown here).
are available for the present state. If no route is Electron backscattering can be used to examine
found, exit the loop. the quality of electron transport, since back-
(2) Use a random number to select the decay scattering is sensitively depend on continuous
route, i.e., decay type, line energy and nal energy loss and angular deections in elastic
state index. Rutherford scattering events. Electron backscat-
(3) If the emitted particle is an electron, follow it tering coefcients for various elements are com-
through the source and its backing. Determine pared in Table 1. The agreement between the
if the particle travels towards the detector. experimental values and those of the present work
(4) If the particle hits the detector, simulate the
deposited energy.
(5) If particle deposits energy to the detector, a 1
Monte Carlo
coincidence is formed. Add the deposited
0.8 Numerical integration
energy to the alpha particle energy. If the
Relative counts
0
4 4.2 4.4 4.6 4.8 5
The lifetimes of the excited states are available in Energy (MeV)
the library le. However, when coincidences are
calculated, they are not taken into account. The Fig. 2. Comparison between simulated alpha particle energy
spectrum from a convex source (side thickness 0 mm, central
lifetimes are assumed to be short enough, com- thickness 2 mm, solid black line) with a spectrum obtained by
pared to the integration time of data acquisition numerical integration (dashed grey line) from the same source.
electronics, for a coincidence to be seen. Alpha particles were assumed to travel in parallel tracks.
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T. Siiskonen, R. Pollanen / Nuclear Instruments and Methods in Physics Research A 550 (2005) 425434 433
Table 1 10000
Comparison between experimental (Exp.) and simulated (MC) Measured
electron backscattering coefcients for various elements when Simulated
1000
E e 30 keV and for normal incidence
Counts
Element C Al Cr Au 100
434 T. Siiskonen, R. Pollanen / Nuclear Instruments and Methods in Physics Research A 550 (2005) 425434
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