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Surface damage produced by single MeV-GeV heavy ions impacting ultrathin polymer films has been shown to be weaker than those observed under bulk (thick film) conditions. The decrease in damage efficiency has been attributed to the suppression of long-range effects arising from excited atoms lying deeply in the solid. This raises the possibility that the substrate of the films itself may be relevant to the radiation effects seen at the top surface. Here, the role of the substrate on cratering induced by individual 1.1 GeV Au ions in ultrathin poly(methyl methacrylate) (PMMA) layers is investigated. Materials of different thermal and electrical properties (Si, SiO2, and Au) are used as substrates to deposit PMMA thin films of various thicknesses from ∼1 to ∼300 nm. We show that in films thinner than ∼40 nm craters are modulated by the underlying substrate to a degree that depends on the transport properties of the medium. Crater size in ultrathin films deposited on the insulating SiO2 is larger than in similar films deposited on the conducting Au layer. This is consistent with an inefficient coupling of the electronic excitation energy to the atomic cores in metals. On the other hand, the damage on films deposited on SiO2 is not very different from the Si substrate with a native oxide layer, suggesting, in addition, poor energy transmission across the film/substrate interface. The experimental observations are also compared to calculations from an analytical model based on energy addition and transport from the excited ion track, which describe only partially the results.

This chapter presents a specific reliability study of some GEANT4-DNA (version 10.02.p01) processes and models for proton transportation considering ultra-thin layers (UTL). The Monte Carlo radiation transport validation is fundamental to guarantee the simulation results accuracy. However, sometimes this is impossible due to the lack of experimental data and, it is then that the reliability evaluation takes an important role. Geant4-DNA runs in an energy range that makes impossible, nowadays, to perform a proper microscopic validation (cross-sections and dynamic diffusion parameters) and allows very limited macroscopic reliability. The chemical damage cross-sections reliability (experiment versus simulation) is a way to verify the consistency of the simulation results which is presented for 2 MeV incident protons beam on PMMA and PVC UTL. A comparison among different Geant4-DNA physics lists for incident protons beams from 2 to 20 MeV, interacting with homogeneous water UTL (2 to 200 nm) was performed. This comparison was evaluated for standard and five other optional physics lists considering radial and depth profiles of deposited energy as well as number of interactions and stopping power of the incident particle.

Impacts of swift heavy ions of different energy loss in amorphous and crystalline Lennard-Jones (LJ) thin films (2–60 nm) were simulated using classical molecular dynamics to study cratering and sputtering in model molecular thin films. Crater size is determined mostly by evaporation and melt flow from the hot ion track, while rim size is determined both by melt flow and by coherent displacement of particles due to the large pressure developed in the excited region, with minor influence of particles from the substrate. Sputtering yields from both crystalline and amorphous samples are similar (including the scaling with energy loss), due to the extremely high temperature and disordered condition of the track region from where most ejected particles originate in the early stages of the track evolution. Cratering, however clearly depends on the crystallinity of the film. Craters and rims are much smaller in crystalline films mainly due to faster energy dissipation, higher stress threshold for plasticity and smaller free-volume in the ordered phase. We also found a large dependence of the induced surface effects on film thickness below a critical thickness value. The pressure pulse due to the ion impact is weaker and cooling of the excited track is more efficient in short tracks, both contributing to the decreased radiation damage efficiency on ultrathin layers. Despite the simplicity of the LJ model, the simulations in the amorphous films reproduce remarkably well several of the experimental features seen recently on polymer thin and ultrathin films irradiated by swift heavy ions. Fil: Gutierres, L. I.. Pontificia Universidade Católica do Rio Grande do Sul; Brasil Fil: Lima, N.W.. Pontificia Universidade Católica do Rio Grande do Sul; Brasil Fil: Thomaz, R. S.. Pontificia Universidade Católica do Rio Grande do Sul; Brasil Fil: Papaléo, R. M.. Pontificia Universidade Católica do Rio Grande do Sul; Brasil Fil: Bringa, Eduardo Marcial. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de Cuyo. Facultad de Ciencias Exactas y Naturales; Argentina

Investigations on the chemical modifications induced by swift heavy ions in PMMA thin films were carried out using beams of high d E /d x (2.2 GeV Bi, 14,090 eV/nm) and low d E /d x (2 MeV H, 19 eV/nm). The induced chemical modifications were monitored by XPS for films with initial thickness of 50 and 100 nm. For both beams, the irradiation decreased the amount of carbon atoms bound to oxygen (C O and C O C), with a larger decrease of the carboxyl moiety, as expected. However, the chemical changes induced by light and heavy ions were qualitatively different. For the same mean deposited energy density, proton irradiation induced a decrease of the relative intensity of the carbon–oxygen bonds up to ∼20% larger than the irradiation with Bi ions. This suggests a greater importance of particle ejection by unzipping of PMMA chains at high d E /d x , which tends to keep the O/C ratio closer to the pristine value.

In this paper are presenting a comparison by using experimental data about chemical damage for all possible physics list for Geant4-DNA (Geant4 version 10.02.p01) for protons incident beam interacting with homogeneous nano-layers of water. Associated to the chemical damage it were evaluated: radial profile of energy deposition, profile of energy deposition on depth, number of interactions, proportion among possible processes and stopping power of the incident particle. The application considers water ultra-thin layers of thicknesses from 2 nm to 200 nm with monodirectional and monochromatic (2 MeV to 20 MeV) protons impinging normally on its entrance surface. It was evoked the standard physics list (“G4EmDNAPhysics” class) and other 5 physics list available (names Opt 1 up to 5). Concerning the experimental data, the films were bombarded by 2 MeV H+ textbf in vacuum at a HVEE 3 MV Tandetron and Xray photoelectron spectroscopy was performed on the irradiated samples at Universite de Namur, Belgium. The preliminary results show that radial and depth profile of energy deposition to all physics lists evaluated presented as expected, with exception for the physics list Opt1. This physics list shows a peak of energy deposition at the end of the layer on depth profile. On radial profile it is clear that the secondaries electrons transported by Opt1 presented larger range than the presented by other evaluated physics list. It was observed for few simulations considering standard physics list that for thickness above $\sim 350$ nm the curve of depth profile achieve it “saturation” and stop the increasing on energy deposition with depth.

In this paper, the surface effects of individual heavy ions impacting thin polymerlike films were investigated, using molecular dynamics simulations with the finite extensible nonlinear elastic (FENE) potential to describe the molecular chains. The perturbation introduced by the ions in the lattice was modeled assuming that the initial excitation energy in the ion track is converted into an effective temperature, as in a thermal spike. The track was heated only within the film thickness h, leaving a nonexcited substrate below. The effect of decreasing thickness on cratering and sputtering was evaluated. The results were compared to experimental data of thin polymer films bombarded by MeV-GeV ions and to simulations performed with the Lennard-Jones potential. While several qualitative results observed in the experiments were also seen in the simulations, irrespective of the potential used, there are important differences observed on FENE films. Crater dimensions, rim volume, and sputtering yields are substantially reduced, and a threshold thickness for molecular ejection appears in FENE simulations. This is attributed to the additional restrictions on mass transport out of the excited track region imposed by interchain interactions (entanglements) and by the low mobility of the molten phase induced by the spike. Fil: Lima, N. W.. Universidade Católica Do Rio Grande Do Sul; Brasil Fil: Gutierres, L. I.. Universidade Católica Do Rio Grande Do Sul; Brasil Fil: Gonzalez, R. I.. Universidad de Chile; Chile Fil: Müller, S.. Universidade Católica Do Rio Grande Do Sul; Brasil Fil: Thomaz, R. S.. Universidade Católica Do Rio Grande Do Sul; Brasil Fil: Bringa, Eduardo Marcial. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de Cuyo. Facultad de Ciencias Exactas y Naturales; Argentina Fil: Papaléo, R.M.. Universidade Católica Do Rio Grande Do Sul; Brasil

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 ∼40nm, 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. Fil: Papaléo, R. M.. Pontificia Universidade Católica do Rio Grande do Sul; Brasil Fil: Thomaz, R.. Pontificia Universidade Católica do Rio Grande do Sul; Brasil Fil: Gutierres, L.I.. Pontificia Universidade Católica do Rio Grande do Sul; Brasil Fil: De Menezes, V.M.. Universidade Federal Da Fronteira Sul; Brasil Fil: Severin, D.. GSI Helmholtz Centre; Alemania Fil: Trautmann, C.. GSI Helmholtz Centre; Alemania. Universitat Technische Darmstadt; Alemania Fil: Tramontina Videla, Diego Ramiro. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de Cuyo. Facultad de Ciencias Exactas y Naturales; Argentina Fil: Bringa, Eduardo Marcial. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de Cuyo. Facultad de Ciencias Exactas y Naturales; Argentina Fil: Grande, P. L.. Universidade Federal do Rio Grande do Sul; Brasil