Cluster-induced crater formation

Using molecular-dynamics simulation, we study the crater volumes induced by energetic impacts of projectiles containing up to N=1000 atoms. We find that for Lennard-Jones bonded material the crater volume depends solely on the total impact energy E. Above a threshold E_th, the volume rises linearly with E. Similar results are obtained for metallic materials. By scaling the impact energy E to the target cohesive energy U, the crater volumes become independent of the target material. To a first approximation, the crater volume increases in proportion with the available scaled energy, V=aE/U. The proportionality factor a is termed the cratering efficiency and assumes values of around 0.5.     

Cluster-induced sputtering of molecular targets

Using molecular-dynamics simulation, we study the cluster-induced sputtering of a diatomic (O₂) and a triatomic (H₂O) molecular target and compare it to the sputtering of an atomic target (Ar). In all three systems, sputtering occurs by the flow of gasified material out of the spike volume into the vacuum above it. Above a threshold, the sputter yield and also the number of dissociations and reactions increase linearly with the total impact energy. The number of reactions occurring is significantly higher than the number of surviving dissociations. The degrees of freedom of the sputtered molecules are not in thermal equilibrium with each other. While for the diatomic target, the internal energy amounts to only 10-20% of the translational energy, it is 40% for H₂O. The translational energy distributions of sputtered monomers are strongly reduced at high energies due to molecule dissociations.     

Sputtering induced by cluster impact on metal targets: Influenceof electronic stopping

The effect of electronic stopping on the sputtering of metals by cluster impact is discussed. We focus on the specific case of Au₁₃ impact on a Au surface. Using molecular-dynamics simulation, we study several strategies to include electronic stopping. Electronic stopping influences both the magnitude of the sputter yield and the duration of the sputter process. In the usual procedure, electronic stopping only affects sufficiently fast atoms with kinetic energies above a threshold energy, which is of the order of the target cohesive energy. When assuming that electronic stopping holds down to thermal energies <1 eV, or even to 0 eV, the collision spike is rapidly quenched and the sputter yields become unrealistically small. Furthermore, we implement a scheme to include electronic stopping based on local (electron) density information readily available in a simulation.     

Separation of potential and kinetic electron emission from Si and W induced by multiply charged neon and argon ions

The total secondary electron emission yields, γ_T, induced by impact of the fast ions Ne^q+ (q = 2-8) and Ar^q+ (q = 3-12) on Si and Ne^q+ (q = 2-8) on W targets have been measured. It was observed that for a given impact energy, γ_T increases with the charge of projectile ion. By plotting γ_T as a function of the total potential energy of the respective ion, true kinetic and potential electron yields have been obtained. Potential electron yield was proportional to the total potential energy of the projectile ion. However, decrease in potential electron yield with increasing kinetic energy of Ne^q+ impact on Si and W was observed. This decrease in potential electron yield with kinetic energy of the ion was more pronounced for the projectile ions having higher charge states. Moreover, kinetic electron yield to energy-loss ratio for various ion-target combinations was calculated and results were in good agreement with semi-empirical model for kinetic electron emission.     

Electron emission from tungsten induced by slow, fusion-relevant ions

Tungsten has recently been introduced as a new wall material for fusion, because it exhibits favourably low sputtering yields and a very low tritium retention as compared to the commonly used graphite wall and divertor tiles. We measure total electron emission yields due to impact of slow singly and multiply charged ions (deuterium, helium and carbon) on sputter-cleaned polycrystalline tungsten surfaces by using a current method in combination with a retarding grid. Results are presented in the eV to keV impact energy region as typical for fusion edge plasma conditions and discussed in terms of potential and kinetic electron emission.     

AODO: Secondary ion emission and surface modification

In order to study the sputtering of secondary ions from well characterized surfaces, we constructed a new UHV system named AODO. It consists of a detector chamber, a target preparation and analysis chamber, and a target transfer rod. We present the lay-out of this new instrument. The detector allows measuring the time-of-flight of emitted secondary ions and their position on a 2D imaging detector (XY-TOF imaging technique). The analysis chamber can be used to study surface modification by means of LEED (low energy electron diffraction). We show preliminary results of the evolution of the LEED patterns as a function of the projectile fluence during irradiation of HOPG (highly oriented pyrolytic graphite) with slow Xe¹⁴⁺ ions at ARIBE (the low energy, highly charged ion beam line of the French heavy ion accelerator GANIL).     

Possible diamond-like nanoscale structures induced by slow highly-charged ions on graphite (HOPG)

The interaction between slow highly-charged ions (SHCI) of different charge states from an electron-beam ion trap and highly-oriented pyrolytic graphite (HOPG) surfaces is studied in terms of modification of electronic states at single-ion impact nanosize areas. Results are presented from AFM/STM analysis of the induced-surface topological features combined with Raman spectroscopy. I-V characteristics for a number of different impact regions were measured with STM and the results argue for possible formation of diamond-like nanoscale structures at the impact sites.     

Ion guiding in alumina capillaries: MCP images of the transmitted ions

Transmission of a few keV impact energy Ne⁶⁺ ions through capillaries in anodic alumina membranes has been studied with different ion counting methods using an energy dispersive electrostatic spectrometer, a multichannel plate (MCP) array and sensitive current-measurement. In the present work, we focus our attention to the measurements with the MCP array. The alumina capillaries were prepared by electro-chemical oxidation of aluminium foils. For the present experiments guiding of 3-6 keV Ne⁶⁺ ions has been studied in two samples with capillary diameter of about 140 nm and 260 nm and with capillary length of about 15 μm. At these energies, the ions have been efficiently guided by the capillaries up to few degrees tilt angle. In this work, we compare the results obtained by the energy dispersive spectrometer to those studied by the MCP array.     

Dependence of cluster ranges on target cohesive energy: Molecular-dynamics study of energetic Au402 cluster impacts

It has long been known that the stopping and ranges of atoms and clusters depends on the projectile-target atom mass ratio. Recently, Carroll et al. [S.J. Carroll, P.D. Nellist, R.E. Palmer, S. Hobday, R. Smith, Phys. Rev. Lett. 84 (2000) 2654] proposed that the stopping of clusters also depends on the cohesive energy of the target. We investigate this dependence using a series of molecular-dynamics simulations, in which we systematically change the target cohesive energy, while keeping all other parameters fixed. We focus on the specific case of Au₄₀₂ cluster impact on van-der-Waals bonded targets. As target, we employ Lennard-Jones materials based on the parameters of Ar, but for which we vary the cohesive energy artificially up to a factor of 20. We show that for small impact energies, E₀ ? 100 eV/atom, the range D depends on the target cohesive energy U, D ∝ U^−β. The exponent β increases with decreasing projectile energy and assumes values up to β = 0.25 for E₀ = 10 eV/atom. For higher impact energies, the cluster range becomes independent of the target cohesive energy. These results have their origin in the so-called ‘clearing-the way’ effect of the heavy Au₄₀₂ cluster; this effect is strongly reduced for E₀ ? 100 eV/atom when projectile fragmentation sets in, and the fragments are stopped independently of each other. These results are relevant for studies of cluster stopping and ranges in soft matter.     

Study on the ablation modification effects for EB-PVD ceramic coatings considering the microstructure of the surface

Based on the surface microstructure of EB-PVD ZrO₂ coatings, the ablation effects of a novel method for ceramic modification technique by high-intensity pulsed ion beam irradiation have been studied numerically. Taking the nonlinear depositing energy of ions in the coatings calculated by Monte Carlo methods as the thermal source term in heat transfer equations, the surface melting process and the evolution of temperature of ZrO₂ specimens induced by HIPIB irradiation were obtained. About 1 μm in thickness of ZrO₂ ceramic was re-solidified after melting, a dense modification coat layer formed, and near the top surface an even denser layer formed. During the calculation the latent heat of ZrO₂ is introduced to consider the additional heat due to the phase change between solid-liquid and liquid-gas states. The numerical result about the ablation melted thickness of surface layer is in reasonable agreement with those measured by HIPIB irradiation experiments.     

The influence of the charged back side on the transmission of highly charged ions through PC nanocapillaries

We have measured the fraction of the ions transmitted through nanocapillaries with their initial charge state for 200 keV Xe⁷⁺ ions impact on a polycarbonate (PC) foil with a thickness of 30 μm and a diameter of 150 nm. An Au film was evaporated on both the front and back side. It is found that more than 97% of the transmitted ions remain in their initial charge state. Then, the transmitted ion fraction and the characteristic tilt angle of 40 keV Xe⁷⁺ ions through this foil and another one with the same thickness and diameter, but evaporated by Au only on the front side, were measured. By comparing the results of these two foils, the influence of the ions deposited in the capillary exit region on the transmitted ion fraction and the characteristic tilt angle is studied. In comparison with the foil evaporated by Au on both sides, the maximum transmitted ion fraction of the foil evaporated by Au on the front side only is nearly 4 times smaller. Also, the characteristic tilt angle is slightly decreased. These results are discussed within the models for the guiding effect.     

Swift heavy ion induced structural modifications in zircon and scheelite phases of ThGeO4

Structural modifications in the zircon and scheelite phases of ThGeO₄ induced by swift heavy ions (93 MeV Ni⁷⁺) at different fluences as well as pressure quenching effects are reported. X-ray diffraction and Raman measurements at room temperature on the irradiated zircon phase of ThGeO₄ indicate the occurrence of stresses that lead to a reduction of the cell volume up to 2% followed by its transformation to a mixture of nano-crystalline and amorphous scheelite phases. Irradiation of the zircon phase at liquid nitrogen temperature induces amorphization at a lower fluence (7.5 × 10¹⁶ ions/m²), as compared to that at room temperature (6 × 10¹⁷ ions/m²). Scheelite type ThGeO₄ irradiated at room temperature undergoes complete amorphization at a lower fluence of 7.5 × 10¹⁶ ions/m² without any volume reduction. The track radii deduced from X-ray diffraction measurements on room temperature irradiated zircon, scheelite and low temperature irradiated zircon phases of ThGeO₄ are, 3.9, 3.5 and 4.5 nm, respectively. X-ray structural investigations on the zircon phase of ThGeO₄ recovered after pressurization to about 3.5 and 9 GPa at ambient temperature show the coexistence of zircon and disordered scheelite phases with a larger fraction of scheelite phase occurring at 9 GPa. On the other hand, the scheelite phase quenched from 9 GPa shows crystalline scheelite phase pattern.     

Molecular simulations of cluster ejection by CO2 cluster impact on carbon-based surfaces

Single (CO₂)_N (N = 1-20) cluster impact on three different carbon-based surfaces of fullerite (1 1 1), graphite and diamond (1 0 0) has been investigated by MD simulations with the cluster collision energy from 5 to 14 keV/cluster as a first step toward the general modeling of the reactive sputtering by cluster impact of a solid surface. A crater permanently remained on the fullerite and graphite surfaces while it was quickly replenished with fluidized carbon material on the diamond surface. In spite of the smaller crater size as well as the crater recovery resulting in the reduction of the surface area, the sputtering yields were the highest on diamond. The effective energy deposition near the surface contributes to the temperature rise and consequent sputtering seemed highly reduced due to the collision cascades especially on the fullerite target.     

Mechanisms of damage formation in semiconductors

The damage accumulation in ion-implanted semiconductors is analysed using Rutherford backscattering spectrometry (RBS). When energetic ions are implanted in a material, they transfer their energy mainly into atomic collision processes (nuclear energy loss) and in electronic excitations (electronic energy loss). For a given material this primary energy deposition is determined by the mass and energy of the implanted ions and the ion fluence (number of ions per unit area). However, the damage concentration which is measured after implantation does not only depend on the primary energy deposition, but is strongly influenced by secondary effects like defect annealing and defect transformation. For the latter processes the target temperature and the ion flux (number of ions per unit area and time) play an important role. In this presentation the influence of the various parameters mentioned above on the damage accumulation is demonstrated for various materials. Simple empirical models are applied to get information about the processes occurring and to systematize the results for the various semiconductors.     

Positron annihilation study and computational modeling of defect production in neutron-irradiated reactor pressure vessel steels

Positron annihilation spectroscopy (PAS) and a computer simulation were used to investigate a defect production in reactor pressure vessel (RPV) steels irradiated by neutrons. The RPV steels were irradiated at 250 °C in a high-flux advanced neutron application reactor. The PAS results showed that mainly single vacancies were created to a great extent as a result of a neutron irradiation. Formation of vacancies in the irradiated materials was also confirmed by a coincidence Doppler broadening measurement. For estimating the concentration of the point defects in the RPV steels, we applied computer simulation methods, including molecular dynamics (MD) simulation and point defect kinetics model calculation. MD simulations of displacement cascades in pure Fe were performed with a 4.7 keV primary knock-on atom to obtain the parameters related to displacement cascades. Then, we employed the point defect kinetics model to calculate the concentration of the point defects. By combining the positron trapping rate from the PAS measurement and the calculated vacancy concentrations, the trapping coefficient for the vacancies in the RPV steels was determined, which was about 0.97 × 10¹⁵ s⁻¹. The application of two techniques, PAS and computer simulation, provided complementary information on radiation-induced defect production.     

On the origin of the LEIS signal in TOF- and in ESA-LEIS

The ion fraction analysis of ⁴He⁺ ions backscattered from various faces of copper single crystals is performed by using time-of-flight (TOF) and electrostatic analyzer (ESA) low-energy ion scattering (LEIS) techniques. When an experiment that integrates over 2π azimuth (typical ESA-LEIS setup) is used, the yield of ions backscattered from the Cu(1 1 0) surface may be given by projectiles penetrated much deeper than just one or two monolayers. The threshold energy for reionization processes for ⁴He⁺ and Cu found earlier by TOF-LEIS is experimentally confirmed by ESA-LEIS.     

Method to measure composition modifications in polyethylene terephthalate during ion beam irradiation

Matter losses of polyethylene terephthalate (PET, Mylar) films induced by 1600 keV deuteron beams have been investigated in situ simultaneously by nuclear reaction analysis (NRA), deuteron forward elastic scattering (DFES) and hydrogen elastic recoil detection (HERD) in the fluence range from 1 × 10¹⁴ to 9 × 10¹⁶ cm⁻². Volatile degradation products escape from the polymeric film, mostly as hydrogen-, oxygen- and carbon-containing molecules. Appropriate experimental conditions for observing the composition and thickness changes during irradiation are determined. ¹⁶O(d,p₀)¹⁷O, ¹⁶O(d,p₁)¹⁷O and ¹²C(d,p₀)¹³C nuclear reactions were used to monitor the oxygen and carbon content as a function of deuteron fluence. Hydrogen release was determined simultaneously by H(d,d)H DFES and H(d,H)d HERD. Comparisons between NRA, DFES and HERD measurements show that the polymer carbonizes at high fluences because most of the oxygen and hydrogen depletion has already occured below a fluence of 3 × 10¹⁶ cm⁻². Release curves for each element are determined. Experimental results are consistent with the bulk molecular recombination (BMR) model.     

Tracks of 30-MeV C60 clusters in yttrium iron garnet studied by scanning force microscopy

Yttrium iron garnet (Y₃Fe₅O₁₂ or YIG), an amorphizable ferrimagnetic insulator, is probably the best studied material with respect to track formation and damage morphology. This paper presents first scanning force microscopy (SFM) of surface damage induced by energetic C₆₀ clusters. YIG single crystals were irradiated at normal incidence with 30-MeV C₆₀ cluster ions (kinetic energy ∼0.04 MeV/u) provided by the tandem accelerator of the Institute of Nuclear Physics in Orsay (IPNO). The SFM topographic images show nano-protrusions on the YIG surface; where each hillock is generated by one C₆₀ cluster. The role of stopping power and deposited energy density is discussed in terms of dimensional analysis of the nanostructures. Hillocks created by C₆₀ clusters are compared with those produced by monatomic ions.     

Competition of terrace and step-edge sputtering under oblique-incidence ion impact on a stepped Pt(1 1 1) surface

Using molecular-dynamics simulation, we study the sputtering of a Pt(1 1 1) surface under oblique and glancing incidence 5 keV Ar ions. For incidence angles larger than a critical angle ?_c, the projectile is reflected off the surface and the sputter yield is zero. We discuss the azimuth dependence of the critical angle ?_c with the help of the surface corrugation felt by the impinging ion. If a step exists on the surface, sputtering occurs also for glancing incidence ?>?_c. We demonstrate that for realistic step densities, the total sputtering of a stepped surface may be sizable even at glancing incidence.     

New local model for electronic energy loss and its application to computer simulations of channeling

We used the average of the Thomas-Fermi (TF) electron distribution instead of that of Hartree-Fock (HF) electron distribution as the screening length of an isolated atom. Based on the Firsov theory, we proposed a new Firsov formula of the electronic energy loss which has a simple form ΔE_e(E, b) ∞ S_e(E) exp(γb)/(1 + βb)⁶, where S_e(E) is the electronic stopping cross section, b = p/a, p and a are the impact parameter and the screening length, respectively, and β and γ are the fitting parameters. Using the present screening lengths with the shell effect and the new Firsov formula, the depth distributions of channeling were simulated by the ACOCT code for 20 keV B⁺ ions impinging along the [1 1 0] channel direction of silicon (1 1 0) surface. The ACOCT depth profiles of channeling using the new Firsov (solid) local model for the AMLJ potential are in good agreement with the experimental ones.