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NUMEN: Determining the Nuclear Matrix Elements of Neutrinoless Double Beta Decays by Heavy-Ion Double Charge Exchange ReactionsMethod for range calculation based
on empirical models of proton in liquid water: Validation study using Monte-Carlo method and ICRU data. View project
Method for range calculation based on empirical models of proton in liquid water: Validation study using Monte-Carlo method and ICRU data. View project
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Abstract— The biological damages are mainly produced by direct ionization and excitation of bio-molecular DNA electrons or by indirect chemical
reaction of water radiolysis products with DNA. In this work, we restricted our study on the interaction of energetic ion proton beams with liquid water;
since the water represents over 80% of the most-soft tissues. The proton collisions with water molecules are estimated from the ionization, excitation,
and charge-changing processes. We studied the Bragg-Kleeman rule R = N × Eß, between the range (R) and the incident kinetic energy (E), in the range
of 1 − 300 MeV. We also approximated the range-energy relationship from a fourth degree polynomial. The Bragg peak profile and position (range) were
determined from an analytical approach. The obtained results were compared with the experimental data from ICRU and the calculated ones from
Monte-Carlo method using GEANT4-DNA, SRIM and DOSIMEX toolkits. The results are in well agreement to be used a basis for a forwarded estimation
of the Bragg peak in the biological material H2O + DNA.
Index Terms— Biological damage, Water, Charge changing, Excitation, Ionization, Bragg peak, Bragg-Kleeman, Range.
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1 INTRODUCTION
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International Journal of Scientific & Engineering Research, Volume 8, Issue 3, March-2017 729
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electronic and nuclear stopping powers for a large Where a0 = 0.0529 nm is the Bohr radius, R = 13.6 eV is the
variety of proton beams ranging the energy of 1- 300 Rydberg constant energy, Ii is the binding energy of the
MeV. We compare our computed results with the electron sub-shell i, Ni is the shell occupancy, W is the
i
published data from ICRU [5]. We study the Bragg- Ii
Kleeman rule, R = N × E, between the range (R) and the Eion
i
incident kinetic energy (E). We emphasize our analytical scaled secondary electron energy, Ii
is the
results with the analytic ones obtained by Ulmer [25] and
the Monte Carlo calculations using GEANT4-DNA, SRIM dimensionless normalized velocity, ion is the energy of an
E
and DOSIMEX toolkits [24]. electron of mass m which would have the same velocity as a
Finally, since the liquid water is considered an excellent E E0 m / M
proton of mass M of the same energy ion ,
tissue substitute owing to its similar density and other
properties, the aim is to emphasize the Bragg-Kleeman rule ion
max
is the scaled cutoff energy
ion
max
4 i2 2 i R / 4 Ii
,
between our analytical approach and Monte-Carlo method 0.64 is a numerical parameter related to the relative
for further study and applications of proton beam with size of the target molecule.
biological material of H2O + DNA.
The functions F1(ν) and F2(ν) are expressed as fellow:
2 PROTON INTERACTIONS WITH LIQUID WATER
C1 i D1
2.1 Proton impact cross sections L1 i ( D1 4)
1 E1
The transport of charged particle through the matter may
F1 i L1 i H1 i A1 ln(1 i 2 ) 3
follow many collision processes leading to the energy loss H1 i B
of the incident particle. In the case of interaction of proton i 2 12
beam with liquid water, the main physical processes could i
be represented from the reaction mechanisms of: L2 i C2 i D2
L2 i H 2 i
Ionization by proton: p + H2O p + H2O++ e− F2 i A2 B2 4
L2 i H 2 i H 2 i 2 4
Excitation by proton: p + H2O p + H2O* i i
Electron capture: p + H2O H + H2O+
Ionization by hydrogen: H + H2O H + H2O++ e−
And, the parameters sets of Aj, Bj, Cj, Dj (j = 1, 2) for liquid
Excitation by hydrogen: H + H2O H + H2O-
water were found in the Refs [11, 12].
Stripping of hydrogen: H + H2O p + H2O + e−
The differential cross section is adjusted by Rudd et al [20]
The cross section corresponding of each so-called by adding a partitioning factor Gj which takes into account
interaction is called a partial cross section, and the sum of the contribution of sub-shells:
all differential cross sections is the total cross section. d ion
i
d i
i Gi
5
(5)
Several empirical approaches have been developed to treat dW dWi
each type of differential cross section [11, 12, 14, 23].
The total ionization cross section is numerically computed
2.1.1 Ionization cross section from the integral:
The induced ionization by proton with initial energy E0 is Wmax Ii d ion
i
ion dW (6)
the dominant process contributing to the energy loss and 0
dW
resulting in the production of the secondary electrons, with
Where Wmax = E0 − Ii is the maximum kinetic energy of the
ejected energy of W. We use the semi-empirical expression
ejected electron.
developed by Rudd et al [17, 19] to calculate the singly
differential cross section at each impact with the electrons
2.1.2 Excitation by protons
of liquid water. For the consideration of five molecular
The incident protons lose mainly their energy by Coulomb
orbitals of a water molecule, the differential cross section is
interactions with the outer shell electrons of water
expressed:
molecules causing the excitation or ionization processes.
d ion W , E0 5
F1 i F2 i i For the excitation processes, we use for each sub-shell
Si 1
dW i imax electron l the semi-empirical expression from the Refs
1 i
i
1 exp
3
i [11,13]:
0 Za E0 El
And exc,l E0 7
2 J E0
4 a Ni R
2
Si z 2 0
(2)
Ii Ii Where σ0 = 10−20m2, Z = 10 is the number of electrons, El is
the excitation energy. The parameter values of a, J, Ω and ν,
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set for liquid water can be found for all the five excited hydrogen impact is neglected in many studies. In this work,
states in the Ref [11]. we consider that the hydrogen like-beam may cause
excitations as well as the protons. We use the cross section
2.1.3 Electron capture proposed by Miller and Green [11] which can take the
At the end of range, the incident proton causes maximum expression of equation 13 except the parameter a assumed
interactions with outer electrons of water molecules. For to be three-quarters of the proton value corresponding to
residual energy E0 less than 100 keV, the incident protons the effective charge of proton with the screen effect of the
can capture or exchange electrons with hydrogen atoms of bounded electron in hydrogen atom [9].
water molecules. We use the electron capture cross section
10 proposed by Rudd et al [15], represented by the 2.1.5 Stripping by neutral hydrogen
harmonic mean of high-energy part σhigh and low-energy The neutral hydrogen can undergo stripping or electron-
part σ low: loss. We use the stripping cross section evaluated from the
analytical functions developed by Miller and Green [13]
10 E0 E0 E0 8 and fitted to the experimental data of Toburen et al.[23] and
Where σ+ and σ− are respectively the production cross Dagnac et al. [1]. The loss of electron is estimated from the
section of positive and negative charge. They are given by: semi-empirical formula:
0 Za E I
1
1 1
E0
9 01 E 14
low high J ( ) E ( )
Z = 10 is the number of electrons in the target molecule, E is
low
E0 4 a02 C x D F
d ion d
g E ion 12 Fig 1: Total cross sections of the considered inelastic processes
of protons in liquid water.
dW Hydrogen dW Pr oton
Where g(E) is adjusted by Dingfelder and co-workers [9] to 2.2 Calculation of stopping cross section for protons
fit the values for liquid water provided by ICRU [5]. And, The energy loss of proton beam is basically related with the
1 elementary component of the traversed medium. It
log E 4.2
g E 0.8 1 exp 0.9 13 depends on the charge and velocity of the incident charged
0.5 particles and the atomic and electron density of the target
material. It is therefore convenient to express the energy
Where g(E) is weighting constant (0.9 ≤ g(E) ≤ 1.7). loss rate of incident ions in term of stopping power, which
However, the excitation of water molecule by neutral is defined as the quotient of:
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3 DEPTHS OF BRAGG PEAK CALCULATIONS Fig 5: (a) Depth of Bragg peak with only electronic and both
electronic and nuclear interactions for protons with incident energy of
300 MeV. (b) The contribution of nuclear stopping power on the depth
The energy loss per unit length defined as the stopping of Bragg peak.
power evolutes gradually with greater depth and lower
speed, and suddenly rises in a short position (Bragg peak) We show in Fig. 5a, the Bragg curves with and without
where the proton is completely stopped. The slowing down consideration of nuclear collisions for protons with incident
of proton to inferior limit of 14 eV can be written when we energy of 300 MeV in liquid water. We estimate the
only consider the electronic interaction as: contribution of nuclear interactions in terms of R defined
i 1
E ip x E p0 S E E pj x j 26 as the difference between ranges, R RElec RElec Nuc , of
equations 25, 26 of 27. We studied the correlation of R as a
j 1
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contribution. We parameterize the correlation of R as a path length for complete physical processes contributing to
function of: the position of Bragg peak. The results are partly showed in
2 Figures (1-6). We also calculated the stopping power for
R a E pa 29 proton in liquid water by dividing the irradiated medium
a 0 into several layers (Eqs. 26 -27). The thickness of each layer
is taken randomly to be equal to the flight distance between
Where 0, 1, 2 are a set of parameters with fitted values of
two successive collisions. It is directly related to the
0= −6.16764x10−03, 1 = 1.93421x10−03 and 2 = 9.10485x10– 06.
incident proton collision mean free path, which is itself
connected to the total interaction cross section. We
However, in the previous work of Ulmer [25] the CSDA
therefore calculated the deposited energy of proton beam in
(Continuous Slowing Down Approximation) range is
liquid water as a function of the depth by appealing the
calculated by integrating the inverse of the linear stopping
different programs of cross sections and stopping cross
power of the proton from zero to the initial energy. It
sections to calculate the stopping power and to determine
results from a generalized (non relativistic) Langevin
the range. Several Monte Carlo platforms and applications
equation and a modification of the phenomenological
are available to be used for an analytical approximation of
friction term. In this work, we calculate the range from the
the range calculation of proton beam. In this work, we
equation 27 and the stopping power using the equation 26.
studied the interaction of proton beam with liquid water
In Fig. 6, we show together the profiles of range and total
using Monte Carlo method like GEANT4-DNA, SRIM, and
stopping power for proton with incident energy of 300 MeV
DOSIMEX platforms. We focused our work on the
in liquid water.
calculation of the range-depth of Bragg peak as a function
of incident energy from 1 to 300 MeV. In table 1 are
presented the results obtained from Monte Carlo method
compared to the analytic ones from our method and the
published data from ICRU-49 [4]. We notice that our results
are in good agreement with the others from Monte-Carlo
method and ICRU-49 data.
N(g/cm2MeV) β (dimensionless)
ICRU data 0.0023 1.75
Fig 8: Range-energy relationship comparison between: ICRU, GEANT4, SRIM,
GEANT4 0.0025 1.76
DOSIMEX and Our analytical Program.
SRIM 0.0020 1.79
DOSIMEX 0.0024 1.75
Our Work 0.0021 1.77
a1 a2 a3 a4
The new relationship between the incident energy E and Fig 9: The analytic calculation of E(x) and dE(x) / dx as a function
the traversed range R investigated in this work for an of X = Range (cm) by using eq. (33) and (34)
incident proton beam in a medium of liquid water could be
efficiently used for further complicated medium since the
experimental data of reaction cross sections and range are
not always available for deeply studies. For the latter case,
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