Efficient computational modeling of electronic stopping power of organic polymers for proton therapy optimization.

This comprehensive study delves into the intricate interplay between protons and organic polymers, offering insights into proton therapy in cancer treatment. Focusing on the influence of the spatial electron density distribution on stopping power estimates, we employed real-time time-dependent density functional theory coupled with the Penn method. Surprisingly, the assumption of electron density homogeneity in polymers is fundamentally flawed, resulting in an overestimation of stopping power values at energies below 2 MeV. Moreover, the Bragg rule application in specific compounds exhibited significant deviations from experimental data around the stopping maximum, challenging established norms.

K-shell X-ray production cross sections of Ti, Cr, Ni and Zn induced by chlorine ions.

In this work we report on the results of the total K-shell X-ray production cross sections of Ti, Cr, Ni and Zn induced by Cl4+ and Cl5+ ions with energies ranging from 4 MeV to 10 MeV. The experimental results were compared with Atomic Orbitals Coupled-Channels (CC) calculations based on the independent electron model. The experimental X-ray production cross sections vary from about 10-2 barns for Zn up to 102 barns for Ti. The results obtained for Ti indicate that the present CC calculations underestimate the experimental cross sections up to two orders of magnitude at 10 MeV chlorine bombarding energy. However, the discrepancy between CC calculations and experimental results decreases as both bombarding energy and the atomic number of the target species increase. The dependency of the experiment-theory agreement on the asymmetry and adiabaticity parameters α and η respectively is discussed.

Confinement effects of ion tracks in ultrathin polymer films.

We show direct experimental evidence that radiation effects produced by single MeV heavy ions on a polymer surface are weakened when the length of the ion track in the material is confined into layers of a few tens of nanometers. Deviation from the bulk (thick film) behavior of ion-induced craters starts at a critical thickness as large as ∼40 nm, due to suppression of long-range additive effects of excited atoms along the track. Good agreement was found between the experimental results, molecular dynamic simulations, and an analytical model.

Oxygen self-diffusion in HfO2 studied by electron spectroscopy.

High-resolution measurement of the energy of electrons backscattered from oxygen atoms makes it possible to distinguish between (18)O and (16)O isotopes as the energy of elastically scattered electrons depends on the mass of the scattering atom. Here we show that this approach is suitable for measuring oxygen self-diffusion in HfO2 using a Hf(16)O2 (20 nm)/Hf(18)O2 bilayers (60 nm). The mean depth probed (for which the total path length equals the inelastic mean free path) is either 5 or 15 nm in our experiment, depending on the geometry used. Before annealing, the elastic peak from O is thus mainly due to electrons scattered from (16)O in the outer layer, while after annealing the signal from (18)O increases due to diffusion from the underlying Hf(18)O2 layer. For high annealing temperatures the observed interdiffusion is consistent with an activation energy of 1 eV, but at lower temperatures interdiffusion decreases with increasing annealing time. We interpret this to be a consequence of defects, present in the layers early on and enhancing the oxygen diffusivity, disappearing during the annealing process.

Energy loss of argon in a laser-generated carbon plasma.

The experimental data presented in this paper address the energy loss determination for argon at 4 MeV/u projectile energy in laser-generated carbon plasma covering a huge parameter range in density and temperature. Furthermore, a consistent theoretical description of the projectile charge state evolution via a Monte Carlo code is combined with an improved version of the CasP code that allows us to calculate the contributions to the stopping power of bound and free electrons for each projectile charge state. This approach gets rid of any effective charge description of the stopping power. Comparison of experimental data and theoretical results allows us to judge the influence of different plasma parameters.

Evidence for an ultrafast breakdown of the BeO band structure due to swift argon and xenon ions.

Auger-electron spectra associated with Be atoms in the pure metal lattice and in the stoichiometric oxide have been investigated for different incident charged particles. For fast incident electrons, for Ar7+ and Ar15+ ions as well as Xe15+ and Xe31+ ions at velocities of 6% to 10% the speed of light, there are strong differences in the corresponding spectral distributions of Be-K Auger lines. These differences are related to changes in the local electronic band structure of BeO on a femtosecond time scale after the passage of highly charged heavy ions.

Direct observation and theory of trajectory-dependent electronic energy losses in medium-energy ion scattering.

The energy spectrum associated with scattering of 100 keV H+ ions from the outermost few atomic layers of Cu(111) in different scattering geometries provides direct evidence of trajectory-dependent electronic energy loss. Theoretical simulations, combining standard Monte Carlo calculations of the elastic scattering trajectories with coupled-channel calculations to describe inner-shell ionization and excitation as a function of impact parameter, reproduce the effects well and provide a means for far more complete analysis of medium-energy ion scattering data.

Direct evidence for projectile charge-state dependent crater formation due to fast ions.

We report on craters formed by individual 3 MeV/u Au (q(ini)+) ions of selected incident charge states q_(ini) penetrating thin layers of poly(methyl methacrylate). Holes and raised regions are formed around the region of the impact, with sizes that depend strongly and differently on q_(ini). Variation of q_(ini) of the film thickness and of the angle of incidence allows us to extract information about the depth of origin contributing to different crater features.

Indications for enhanced auger-electron absorption in a hot-electron gas.

Solid-state Auger-electron angular distributions are known to be largely independent of the type of excitation, following roughly a cosine law for low ejection energies. In this Letter it is shown that the ion-track dynamics and the corresponding high electron temperatures lead to significant variations of these Auger distributions. Ratios for different degrees of inner-shell ionization versus angle are sensitive to the high-energy-deposition density. The ratios show a minimum for emission angles close to the ion-track direction, consistent with enhanced inelastic electron-energy losses or electron absorption, respectively. Thus Auger-electron yields are influenced by the spatial electronic excitation distribution.

Giant Barkas effect observed for light ions channeling in Si.

Measurements of the electronic energy loss are presented for (4)He and (7)Li ions channeling along the Si main axial directions at intermediate to high projectile energies. The Barkas effect, an energy-loss enhancement proportional to the third power of the projectile charge at high energies, is clearly separated from other processes. It reaches about 50% for Li ions channeling along the Si [110] direction. The observed Barkas contribution from the valence-electron gas is in fair agreement with the Lindhard model.