Emanuele Trainotti

Total cross sections for positron and electron scattering from pyrimidine

In this paper we report original measurements of total cross sections for positron scattering from the important biomolecule pyrimidine. The energy range of these measurements was 0.3–45 eV, while the energy resolution was ~260 meV. In addition, we report theoretical results, calculated within the independent atom–screened additivity rule (IAM-SCAR) formalism, for the corresponding electron impact total cross sections. In that case the energy range is 1–10 000 eV. Total cross sections are very important input data for codes that seek to simulate charged-particle tracks in matter, as they define the mean-free path between collisions. As the present data and computations are to the best of our knowledge the first total cross sections to be reported for either positron or electron scattering from pyrimidine, they fill an important void in our available knowledge in the literature.

Positron scattering from argon: total cross sections and the scattering length

We report results from new positron–argon total cross-section (TCS) measurements. Agreement with the corresponding recent data of Jones et al (2011 Phys. Rev. A 83 032701) is found to be very good, except at the lowest energies of common measurement. Excellent qualitative agreement is also found between our measurements and an improved convergent close-coupling (CCC) calculation which was undertaken as a part of this study. This level of accord between our experimental and theoretical TCSs has enabled us to determine an experimental scattering length (a) of a = −4.9 ± 0.7 au for the positron–argon system. That value is in excellent agreement with the relativistic polarized orbital optical potential approach result of Jones et al (a = −4.7 au) and our CCC result of a = −4.3 au.

Total cross-sections for positron and electron scattering from α-tetrahydrofurfuryl alcohol

In this paper, we report original measurements of total cross-sections (TCSs) for positron scattering from an important biomolecule, α-tetrahydrofurfuryl alcohol (THFA). The energy range of these measurements was 0.15–50.15 eV, whereas the energy resolution was ~260 meV. In addition, we report theoretical results, calculated within the independent-screened additivity rule (IAM-SCAR) formalism, on the corresponding electron impact total cross-sections. In this case, the energy range is 1–10 000 eV. With the advent of new particle track simulation codes, which incorporate accurate atomic and molecular data in order to provide interaction details at the nanoscale, interest in positron and electron TCSs has enjoyed something of a recent renaissance as they specify the mean free path between collisions in such codes. Because the present data are, to the best of our knowledge, the first TCSs to be reported for positron scattering from THFA, they fill an important void in the knowledge available to us from the literature.

Very low-energy total cross sections and the experimental scattering length for the positron–xenon system

We report total cross-section (TCS) results for low-energy positron scattering from the noble gas xenon. A comparison with previous measurements shows a good level of accord with the recent results of the ANU group (2011 New J. Phys. 13 125004). Very good qualitative agreement is also found with the convergent close-coupling (CCC) calculation of Fursa and Bray (2012 New J. Phys. 14 035002) over most of the common energies. By using the shape of the CCC results as a guide, we also extrapolate our measured cross sections to very low energy. With the aid of the CCC theory, we therefore derive the first experimental estimate for the positron–xenon scattering length of a = −99.2 ± 18.4 au. This value is found to be consistent with the CCC-based estimate and also with those of some other theories. This result supports the existence of a positron–xenon virtual state at a positron energy e = (1.4 ± 0.6) × 10−3 eV.

Positron scattering from the cyclic ethers oxirane, 1,4-dioxane, and tetrahydropyran

In this paper we report original measurements of total cross sections (TCSs) for positron scattering from the cyclic ethers oxirane (C(2)H(4)O), 1,4-dioxane (C(4)H(8)O(2)), and tetrahydropyran (C(5)H(10)O). The present experiments focus on the low energy range from ∼0.2  to  50 eV, with an energy resolution smaller than 300 meV. This study concludes our systematic investigation into TCSs for a class of organic compounds that can be thought of as sub-units or moieties to the nucleotides in living matter, and which as a consequence have become topical for scientists seeking to simulate particle tracks in matter. Note that as TCSs specify the mean free path between collisions in such simulations, they have enjoyed something of a recent renaissance in interest because of that application. For oxirane, we also report original Schwinger multichannel elastic integral cross section (ICS) calculations at the static and static plus polarisation levels, and with and without Born-closure that attempts to account for the permanent dipole moment of C(2)H(4)O. Those elastic ICSs are computed for the energy range 0.5-10 eV. To the best of our knowledge, there are no other experimental results or theoretical calculations against which we can compare the present positron TCSs. However, electron TCSs for oxirane (also known as ethylene oxide) and tetrahydropyran do currently exist in the literature and a comparison to them for each species will be presented.

An experimental and theoretical investigation into positron and electron scattering from formaldehyde

We report on measurements of total cross sections (TCSs) for positron scattering from the fundamental organic molecule formaldehyde (CH2O). The energy range of these measurements was 0.26–50.3 eV, whereas the energy resolution was ~260 meV. To assist us in interpreting these data, Schwinger multichannel level calculations for positron elastic scattering from CH2O were also undertaken (0.5–50 eV). These calculations, incorporating an accurate model for the target polarization, are found to be in good qualitative agreement with our measured data. In addition, in order to compare the behaviour of positron and electron scattering from this species, independent atom model-screened additivity rule theoretical electron TCSs, now for energies in the range 1–10 000 eV, are also reported.

Low-energy positron scattering from iodomethane

We report experimental total cross sections (TCSs) and calculated elastic integral cross sections (ICSs) for positron collisions with iodomethane (methyl iodide, CH3I). The experimental TCSs were obtained with a linear transmission technique, for energies from 0.1 up to 50 eV. The present TCS data agree well with those previously reported (Kimura et al 2001 J. Chem. Phys. 115 7442) at higher energies (above 7 eV), but significant discrepancies are found at the lower energies. The present ICS computations were performed with the Schwinger multichannel method (SMC) and the Born dipole approximation in the incident energy range from 0.1 eV up to 10 eV. Iodomethane poses a great challenge to theoretical descriptions of the collisions dynamics. In addition to the neglect of inelastic channels, the main difficulty found in the SMC approach is related to numerical limitations that prevent a thorough description of correlation–polarization effects. Although our ICS calculations do not compare well with the present TCS data, the results are encouraging, as iodomethane would challenge all the presently available computational approaches.

Total cross section measurements for positron scattering from acetone

AbstractWe report results from total cross section measurements for positron-acetone scattering. The energy range of these experiments was 0.2-23 eV, while the energy resolution of our positron beam was ~260 meV. The present data clearly highlight the important role played by the strong permanent dipole moment and significant dipole polarisability of the acetone molecule on the low-energy scattering dynamics of this system. For positron energies above about 6 eV the present data is found to be in quite good agreement with the only other total cross section results available in the literature from the Yamaguchi group, however, at lower energies the level of agreement is rather poor. To the best of our knowledge, no theoretical calculations are currently available for positron-acetone scattering. PACS Codes: 34.80.Uv