Interaction of 〈1 0 0〉 loops with Carbon atoms and 〈1 0 0〉 dislocations in BCC Fe: An atomistic study

We apply atomistic simulations using the so called ‘metallic-covalent bonding’ interatomic model for the Fe–C system to study mobility of 〈1 0 0〉 interstitial dislocation loops, known to form in Fe and Fe-based ferritic alloys under irradiation, and their interaction with Carbon atoms. Carbon atoms represent an effective trap for the 〈1 0 0〉 loops with a binding energy of the order of 1 eV. The mobility of the loops is studied using the dislocation – loop drag model. From this model the activation parameters are identified and discussed.     

Thermal and irradiation induced interdiffusion in Fe3O4/MgO(0 0 1) thin film

The interface reactions in an epitaxial 10 nm-thick Fe₃O₄/MgO(0 0 1) film were investigated by using Rutherford Backscattering spectrometry (RBS), channeling (RBS-C) and X-ray reflectometry (XRR). The as-grown film had a good crystallinity indicated by the minimum yield and the half-angle value for Fe, respectively, χ_min(Fe) = 22% and ψ_1/2(Fe) = 0.62°. Annealing the films under partial argon pressure up to 600 °C led to a large enhancement of Mg out-diffusion into the film forming a wustite-type phase, but the total layer thickness did not change much. Ion irradiation of the film by 1 MeV Ar ion beam caused a strong Fe ion mixing resulting in a large interfacial zone with a thickness of 23 nm.     

First-principles study of hydrogen adsorption and permeation in reconstructed cubic erbium oxide surfaces

Understanding surface properties of Er₂O₃, especially in relation to adsorption and permeation of atomic hydrogen, is of considerable importance to the study of tritium permeation barriers. In this work, hydrogen diffusion pathways through the low-index (1 0 0), (1 1 0), and (1 1 1) surfaces of cubic Er₂O₃ have been calculated using density functional theory within the GGA (PBE) + U approach. The dependence of the effective U parameter on lattice constants, bulk moduli, and formation energies of Er₂O₃ has been investigated in detail. The energetics of hydrogen penetration from the surfaces to the solution site in bulk Er₂O₃ were defined using the optimum effective U value of 5.5 eV. For a low surface coverage of hydrogen (0.89 × 10¹⁴ H/cm²), a penetration energy of at least 1.7 eV was found for all the low-index erbium oxide surfaces considered. The results of the present study will provide useful guidance for future studies on modeling defects, such as grain boundaries and vacancies, in tritium permeation barriers.     

Hydrogen implantation defects in MgO

Deuterium and hydrogen ions with an energy of 15 keV have been implanted in virgin MgO (1 0 0) single crystals and in single crystals containing helium implantation generated microcavities. Doses were varied from 2 × 10¹⁵ to 2 × 10¹⁶ cm⁻². The samples were annealed from room temperature to 950 K. The defects produced by hydrogen and the trapping of hydrogen at the defects were monitored by photon absorption and positron beam analysis. With this novel technique a depth distribution of defects can be determined for implantation depths from 0 to 2000 nm. The technique is very sensitive for vacancy and vacancy clusters, i.e. sites with low electron density. After 950 K annealing microcavities were observed for the 2 × 10¹⁶ cm⁻² dose but not for the 10 times lower dose. During annealing up to 750 K point defects are mobile but the defect clusters remain small and filled with hydrogen. In samples which contain already microcavities, point defects and deuterium from the deuterium irradiation are accumulated by the microcavities.     

Depth-dependent magnetic characterization of Fe films on NiO(0 0 1)

We used nuclear hyperfine spectroscopies and a ⁵⁷Fe probe layer approach to study the depth-dependent magnetic properties of ultrathin Fe films on NiO(0 0 1), a system exhibiting exchange bias. Conversion electron Mössbauer spectroscopy and nuclear resonance scattering of synchrotron radiation were employed. The samples were two Fe films with a thickness (8–10 ML) slightly above the critical thickness for the onset of ferromagnetism at room temperature, in which a 2 ML-thick probe layer, enriched in the ⁵⁷Fe Mössbauer isotope, was embedded at different depths from the Fe/NiO interface. Both techniques indicate that inside the film Fe has a metallic character, while at the interface with NiO different Fe phases are present. The main conclusion is that already a few monolayers from the interface with NiO the magnetic properties of Fe are bulk-like.     

Peculiarities of defect generation in Si+-implanted GaAs (2 1 1)

Peculiarities of the defect generation during implantation of (2 1 1) GaAs with Si⁺ ions and doses below the amorphisation dose of GaAs have been investigated by X-ray diffraction, the secondary ion mass-spectroscopy (SIMS) and transmission electron microscopy. It was shown, that in such implanted layers less radiation defects will be formed and these defects are more easily annealed by rapid photon annealing (RPA) than in (1 0 0)-oriented wafers.     

The use of NRA to study thermal diffusion of helium in (U, Pu)O2

A lot of work has been already done on helium atomic diffusion in UO₂ samples, but information is still lacking about the fate of helium in high level damaged UOX and MOX matrices and more precisely their intrinsic evolutions under alpha self irradiation in disposal/storage conditions.The present study deals with helium atomic diffusion in actinide doped samples versus damage level. The presently used samples allow a disposal simulation of about 100 years of a UOX spent fuel with a 60 MW d kg^?1 burnup or a storage simulation of a MOX spent fuel with a 47.5 MW d kg^?1 burnup.For the first time, nuclear reaction analysis of radioactive samples has been performed in order to obtain diffusion coefficients of helium in (U, Pu)O₂. Samples were implanted with ³He⁺ and then annealed at temperatures ranging from 1123 K to 1273 K. The evolution of the ³He depth profiles was studied by the mean of the non-resonant reaction: ³He(d, p)⁴He. Using the SIMNRA software and the second Fick’s law, thermal diffusion coefficients have been measured and compared to the ³He thermal diffusion coefficients in UO₂ found in the literature.     

A mixed P1–DP0 diffusion theory for planar geometry

A variational analysis is used to derive a mixed P₁–DP₀ (P₁ spherical harmonics–double P₀ spherical harmonics) angular approximation to the time-independent monoenergetic neutron transport equation in one-dimensional planar geometry. This mixed angular approximation contains a space-dependent weight factor α(x) that controls the local angular approximation used at a spatial point x: α(x) = 1 yields the standard P₁ (diffusion) approximation, α(x) = 0 gives the standard DP₀ approximation, and 0 < α(x) < 1 produces a mixed P₁–DP₀ angular approximation. The diffusion equation obtained differs from the standard P₁ diffusion equation only in the definition of the diffusion coefficient. Standard Marshak incident angular flux boundary conditions are also obtained via the variational analysis. We examine the use of this mixed angular approximation coupled with the standard P₁ approximation to more accurately treat material interfaces and vacuum boundaries. We propose a simple but effective functional form for the weight factor α(x) that removes the need for the user to specify the value. Numerical results from several test problems are presented to demonstrate that significant improvements in accuracy can be obtained using this method with essentially no computational penalty.     

Ion beam synthesis of SiC by C implantation into SIMOX(1 1 1)

We report the conversion of a 65 nm Si(1 1 1) overlayer of a SIMOX(1 1 1) into 30–45 nm SiC by 40 keV carbon implantation into it. High temperature implantation (600 °C) through a SiO₂ cap, 1250 °C post-implantation annealing under Ar ambient (with 1% of O₂), and etching are the base for the present synthesis. Sequential C implantations (fluence steps of about 5 × 10¹⁶ cm^?2), followed by 1250 °C annealing, has allowed to estimate the minimum C fluence to reach the stoichiometric composition as ～2.3 ×  10¹⁷ cm^?2. Rutherford Backscattering Spectrometry was employed to measure layer composition evolution. A two-sublayers structure is observed in the synthesized SiC, being the superficial one richer in Si. Transmission electron microscopy has shown that a single-step implantation up to the same minimum fluence results in better structural quality. For a much higher C fluence (4 × 10¹⁷ cm^?2), a whole stoichiometric layer is obtained, with reduction of structural quality.     

Determination of the sticking coefficient of energetic hydrocarbon molecules by molecular dynamics

The sticking coefficient of hydrocarbon species is a key quantity that influences the growth process of amorphous hydrocarbon layers. To extend the very limited database for low impact energies, classical molecular dynamics simulations were performed, determining the sticking coefficients of CH_x (x = 0 … 4) with kinetic energies between 5 and 100 eV. Similar simulations are performed with hydrogen substituted by deuterium. Additionally, analytical formulas are presented that fit the data very well and can be used to interpolate the simulation results.     

Investigating permeation and transport of H isotopes in tungsten by first-principles

We have investigated permeation and transport of hydrogen (H) isotopes in tungsten (W) single crystal employing first-principles calculations in junction with Fick’ law. Permeability was approximately evaluated according to the solubility and diffusion coefficient of H. The solubility for H in bulk W from present calculation is consistent with the experimental results measured by Frauenfelder. The permeation fluxes of H isotopes are examined at the different thickness of W wall. The permeation fluxes of deuterium with the W thickness of 21 μm at the temperature of 770 K and with the W thickness of 50 μm at the temperature of 893 K were 0.68 × 10¹³ atom/m²s and 0.34 × 10¹⁴ atom/m²s, respectively. The dissociation coefficients of H isotopes are also evaluated. We believe that the present first-principles combined with Fick’ law method can be also generalized to investigate permeation and transport of H isotopes in most metals since such H isotopes behaviors in most metals are similar to those of H isotopes in W.     

129I AMS at 0.5 MV tandem accelerator

The ¹²⁹I measurement program has been established at the 0.5 MV ‘Tandy’ accelerator of the PSI/ETH Zürich AMS facility. This development was made possible by using a SiN window instead of Mylar one in a gas ionization detector. The setting up of the ¹²⁹I measurement at Tandy is simple, the acquired performance is stable and reliable, and the quality of results is equal to or better than at our larger EN-tandem. With this setup, high sample throughput, which is required in many ¹²⁹I studies, can be easily achieved. The measurements are performed in the +3 charge state. At this charge state the major difficulty in the ¹²⁹I⁺³ identification is caused by a highly abundant 43⁺¹ (m = 43, q = +1) molecule interference. This is a positive molecular ion, because its intensity reduces exponentially with an increase in gas stripper pressure. We conclude that this molecule is ²⁷Al¹⁶O⁺ (m/q = 43/1 = 129/3) and comes from the break-up of (Al₂O₃ + Al)^? (m = 129) precursor at the terminal: (Al₂O₃ + Al)^? → ²⁷Al¹⁶O⁺. The expected isobaric interferences ⁴³Ca⁺¹ and ⁸⁶Sr⁺², which also originate from the break-up of molecules in the stripper, were found to be low and do not disturb the ¹²⁹I⁺³ measurements. The best repeatable performance with our standard sample material was achieved at 0.14 μg/cm² Ar gas stripper pressure with machine blanks showing ～6 × 10^?14 normalized ¹²⁹I/I ratio and 9% transmission through the accelerator. However, high ²⁷Al¹⁶O⁺ molecular rates were observed from the user samples, and in order to destroy these molecules we had to increase the stripper pressure to ～0.22 μg/cm². This increase in the stripper pressure degraded the machine blank values to ～9 × 10^?14 and reduced transmission to 8%. Nevertheless, the achieved measurement conditions are sufficient for measurement of nearly all ¹²⁹I samples that have been submitted to PSI/ETH over the last few years.     

Conceptual design of 5 MW-NBI injector for HL-2 M tokamak

The HL-2 M tokamak is now under construction in Southwestern Institute of Physics in China. As one of the main auxiliary heating systems for HL-2 M tokamak, a new NBI beam line with 5 MW NBI power, 42° injection angle, based on 4 sets of 80 kV/45 A/5 s bucket ion sources with geometrical beam focus, is conceptually designed with geometrical calculation and engineering simulations. The preliminary structure and layout of key components including ion sources, neutralizers, ion dumps, deflection magnet, beam edge scraper, long pulse calorimeter target, short pulse calorimeter target, injection port and beam drift duct are determined. The magnetic shielding of the stray field of HL-2 M tokamak is analyzed. Beam power transmission efficiency is calculated with geometrical algorithm. The ratio of neutral beam injection power to ion beam power is as high as 48%.     

Comparison of 41Ca analysis on 0.5 MV and 5 MV-AMS systems

A comparative study was made between the compact AMS system at the PSI/ETH Laboratory of Ion Beam Physics in Zurich with 0.5 MV terminal voltage and the 5 MV-AMS system at the Scottish Universities Environmental Research Centre (SUERC), Glasgow. Overall 34 urinary samples with ⁴¹Ca/⁴⁰Ca ratios in the range from 4 × 10^?11 to 3 × 10^?10 were processed to CaF₂ and aliquots of the same material were measured on both instruments.Measurements on the compact AMS system were performed in charge state 3+ achieving a transmission of 4% at 1.7 MeV beam energy. Under these conditions a suppression of the interference ⁴¹K is virtually impossible. However, samples with an excess of potassium can be identified by a shift of the ⁴¹Ca/⁴¹K peak in the ΔE ? E histogram of the gas ionization detector employed and a criterion for data rejection can be defined. An overall precision of ～4% and a ⁴¹Ca/⁴⁰Ca background level of 5 × 10^?12 have been reached.For studies with higher demands on the detection limit AMS systems like the one at SUERC are attractive: in charge state 5+ and using a gas stripper beam energy of 27 MeV, a transmission of 5%, a ⁴¹K suppression factor of ～500 and a ⁴¹Ca/⁴⁰Ca background level of 3 × 10^?14 are achieved.We demonstrate that both systems are well suited for large-scale ⁴¹Ca biomedical applications.     

Deuterium diffusion in LiOH–water-corroded oxide layer of zirconium alloys

In order to clarify the hydrogen diffusion mechanism in the oxide layer of zirconium alloys, in situ hydrogen isotope diffusion in the oxide layer has been examined. The zirconium alloys used were Zircaloy-2, GNF-Ziron (Zircaloy-2 type alloy with high iron content) and VB (zirconium-based alloy with high iron and chromium contents). They were corroded in 1 or 0.1 M LiOH-containing water at 563 K, producing oxide layers of 1.1–2.1 μm in thickness. The diffusion experiments were carried out in the temperature range from 488 to 633 K by using a combined technique of deuterium plasma exposure and nuclear reaction analysis for D (³He,p)⁴He reaction. From the transient deuterium profiles in the oxide layers, it was concluded the LiOH–water-corroded oxides had a single-layer structure, which was in contrast to the double-layer structure previously observed in steam-corroded oxide layers. The diffusion coefficients in the 1 M LiOH–water-corroded oxides evaluated from the deuterium profiles were smaller in the order of Zircaloy-2 > GNF-Ziron > VB at 573 K. For the 0.1 M LiOH–water-corroded oxide of GNF-Ziron, the diffusivity was lower than that of the 1 M LiOH–water-corroded oxide by a factor of 1/4. The present diffusion coefficients of the 1 M LiOH–water-corroded oxides of GNF-Ziron and VB were approximately 7 times larger than the previous data of the corresponding steam-corroded oxides. The deuterium diffusion properties in the oxides of the three alloys obtained in the in situ experiment were roughly consistent with their hydrogen absorption performances in the LiOH–water-corrosion tests, as well as in the previous steam corrosion tests.     

Nanoscale metal-silicide films prepared by surfactant sputtering and analyzed by RBS

Surfactant sputtering has been applied to modify the surface structure of Si substrates and to produce ultrathin metal-silicide films with nickel and platinum surfactants, utilizing the steady state coverage of a Si-substrate surface with surfactant atoms simultaneously during sputter erosion by combined ion irradiation and surfactant atom deposition. Si (1 0 0) substrates were eroded using 5 keV Xe-ions and 10–30 keV Ar ions at incident angles of 65° and 70° with fluences of up to 2 × 10¹⁸/cm² under continuous sputter deposition of platinum and nickel from targets irradiated simultaneously by the same ion beam. These surfactant atoms form metal-silicides in the surface near region and strongly modify the substrate sputter yield and the surface nanostructure. Atomic force microscopy and scanning electron microscopy were carried out to observe a transition of surface topography from ripple to relief patterns, granular patterns or smooth surfaces. The Si and metal sputter yield as function of the steady state metal coverage were determined by combination of Rutherford-backscattering spectroscopy (RBS) and profilometry. The composition and the depth distributions of metal-silicide films were analyzed via high-resolution RBS and transmission electron microscopy. We show that RBS results in comparison with SRIM and TRIDYN sputter yield simulations allows us to identify the silicide surface structure on the nanometer scale.     

Evaluation of tritium diffusion through the Neutral Beam Injector calorimeter panel

The Neutral Beam Test Facility (NBTF) to be realized in Padoa will test the Neutral Beam Injection (NBI), one of the Heating and Current Drive Systems foreseen for ITER. The NBI is based on the acceleration of hydrogen or deuterium negative ions up to 1 MeV. This work has been aimed at assessing the tritium release from the NBTF in order to provide data for the safety analysis. In particular, the diffusion of the tritium through the neutral beam target material (the CuCrZr alloy calorimeter panels) has been assessed by using literature data of the diffusion coefficient. The tritium generated inside the calorimeter panels moves into both the vacuum and water side: the tritium diffusion flux has been evaluated during the beam-on (200 °C) and the beam-off (20 °C) phases of the NBTF experiments consisting of an interim campaign and a final test. The penetration depth of the tritium through the 2 mm thick CuCrZr alloy material has been also evaluated by using a Monte-Carlo code. As main result, the assessed diffusion flux of tritium during both the beam-on and the beam-off phases are modest. In fact, at the end of the interim campaign (100 days), about the 96% of the all generated tritium (626.5 MBq) exits the calorimeter while the residual tritium inventory (25 MBq) leaves the copper alloy with a diffusion time of about 1 month. At the end of the final test (14 days) about the 99% of the total generated tritium (1.023 × 10⁴ MBq) leaves the copper alloy and the remaining tritium inventory (152.2 MBq) is released by about 32 days. In both the interim campaign and the final test, more than the 99% of the total tritium is transferred into the vacuum side of the calorimeter panel while negligible tritium amounts enter the cooling water system thus showing a very low impact on the environment.     

Design and validation of a 700 kW/CW water load for 3.7 GHz klystrons

To develop Continuous Wave (CW) high power klystrons for fusion experiments, calorimetric matched loads absorbing the RF power are necessary. To test and adjust the parameters of the new klystrons TH2103C [1] able to produce 700 kW/CW at a frequency of 3.7 GHz for upgrading the RF power available in Tore Supra LHCD transmitter, SPINNER GmbH has successfully developed, in collaboration with the CEA, and manufactured a water load capable to absorb the RF power with a Voltage Standing Wave Ratio (VSWR) < 1.05. Crucial part of the water load is the ceramic window cooled with demineralised water to absorb the RF power. Klystrons working at different frequencies like 4.6 GHz and 5 GHz are being developed for CW experiments. The water load could be adapted for these frequencies. The paper describes the specifications, the development and the high RF power tests to validate the dummy load.     

Boron lattice site location in (BGa)As and (BGa)P thin films studied using RBS and NRA with a channeled He+ ion beam

In this study the boron lattice site location in ternary B_xGa_1?xAs and B_xGa_1?xP thin films grown on (0 0 1) GaAs and (0 0 1) GaP, respectively, using low pressure metal-organic vapour-phase epitaxy (MOVPE) with boron concentrations between x = 0.8% and x = 3.2% was investigated with RBS and the ¹⁰B(α,p)¹³C nuclear reaction using a 2.3 MeV He⁺ ion beam. For this purpose, the ion beam was aligned with the [0 0 1], [0 1 1] and [1 1 1] axis and the RBS and proton yield from the nuclear reaction compared with random ion incidence. For comparison, theoretical proton yields which assume boron to be located on substitutional lattice sites only were calculated for each sample/axis combination and compared with the experimental yields. The RBS/channeling measurements show a very good crystal quality of the films with χ_min being in the range of 3–5% for the [0 1 1] axis. The best crystal qualities, i.e. the lowest χ_min values and dechanneling rates, are achieved for low boron concentrations. From NRA/channeling it can be deduced that in the B_xGa_1?xAs films the fraction of interstitial boron is approximately 5% for low boron concentrations of x = 1% and 6–10% for concentrations up to x = 3.2%, whereas the fraction of interstitial boron is less than 3% in the B_xGa_1?xP film studied despite a concentration of x = 2.0%. This indicates that antisite effects of the boron incorporation are more likely in GaAs compared to GaP.     

Systematics for (n, 2n) excitation functions in the neutron energy between 13.4 and 14.9 MeV

A systematics of (n, 2n) partial excitation functions was studied on the basis of our 58 sets of experimental data measured using intense neutron source facilities of FNS at the Japan Atomic Energy Agency and of OKTAVIAN at Osaka University. The empirically predictive formulas based on the evaporation theory are applicable for the neutron energy between 13.4 and 14.9 MeV, and in the mass range between 14 and 238. About 83% of the cross sections and the slopes of excitation functions can be reproduced within an uncertainty of 15%. The formulas were expressed in terms of a mass number A, an asymmetry parameter S = (N ? Z)/A, and threshold energies of the (n, 2n) and (n, 3n) reactions, where N and Z are the neutron and proton numbers for the target nuclei, respectively. The excitation functions were well reproduced for the nuclei in the region with S < 0.05 and 14 ? A ? 58 for the first time. The general characteristics of the excitation functions, consisting of steep rising in the light mass nuclei, gently-sloping or nearly flat in the middle and heavy mass nuclei, and slow falling in the heavy mass regions with possible (n, 3n) reactions, are well expressed.