Sticking and erosion at carbon-containing plasma-facing materials in fusion reactors

Controlled nuclear fusion is one of the most promising sources of energy for the future. Before this goal can be achieved, one must be able to control the enormous energy densities which are present in the core plasma in a fusion reactor. In order to be able to predict the evolution and thereby the lifetime of different plasma facing materials under reactor-relevant conditions, the interaction of atoms and molecules with plasma first wall surfaces have to be studied in detail. In this thesis, the fundamental sticking and erosion processes of carbon-based materials, the nature of hydrocarbon species released from plasma-facing surfaces, and the evolution of the components under cumulative bombardment by atoms and molecules have been investigated by means of molecular dynamics simulations using both analytic potentials and a semi-empirical tight-binding method. The sticking cross-section of CH3 radicals at unsaturated carbon sites at diamond (111) surfaces is observed to decrease with increasing angle of incidence, a dependence which can be described by a simple geometrical model. The simulations furthermore show the sticking cross-section of CH3 radicals to be strongly dependent on the local neighborhood of the unsaturated carbon site. The erosion of amorphous hydrogenated carbon surfaces by helium, neon, and argon ions in combination with hydrogen at energies ranging from 2 to 10 eV is studied using both non-cumulative and cumulative bombardment simulations. The results show no significant differences between sputtering yields obtained from bombardment simulations with different noble gas ions. The final simulation cells from the 5 and 10 eV ion bombardment simulations, however, show marked differences in surface morphology. In further simulations the behavior of amorphous hydrogenated carbon surfaces under bombardment with D^+, D^+2, and D^+3 ions in the energy range from 2 to 30 eV has been investigated. The total chemical sputtering yields indicate that molecular projectiles lead to larger sputtering yields than atomic projectiles. Finally, the effect of hydrogen ion bombardment of both crystalline and amorphous tungsten carbide surfaces is studied. Prolonged bombardment is found to lead to the formation of an amorphous tungsten carbide layer, regardless of the initial structure of the sample. In agreement with experiment, preferential sputtering of carbon is observed in both the cumulative and non-cumulative simulations

Computer simulation of H and He effects in fusion reactor materials

Fusion power is an appealing source of clean and abundant energy. The radiation resistance of reactor materials is one of the greatest obstacles on the path towards commercial fusion power. These materials are subject to a harsh radiation environment, and cannot fail mechanically or contaminate the fusion plasma. Moreover, for a power plant to be economically viable, the reactor materials must withstand long operation times, with little maintenance. The fusion reactor materials will contain hydrogen and helium, due to deposition from the plasma and nuclear reactions because of energetic neutron irradiation. The first wall divertor materials, carbon and tungsten in existing and planned test reactors, will be subject to intense bombardment of low energy deuterium and helium, which erodes and modifies the surface. All reactor materials, including the structural steel, will suffer irradiation of high energy neutrons, causing displacement cascade damage. Molecular dynamics simulation is a valuable tool for studying irradiation phenomena, such as surface bombardment and the onset of primary damage due to displacement cascades. The governing mechanisms are on the atomic level, and hence not easily studied experimentally. In order to model materials, interatomic potentials are needed to describe the interaction between the atoms. In this thesis, new interatomic potentials were developed for the tungsten-carbon-hydrogen system and for iron-helium and chromium-helium. Thus, the study of previously inaccessible systems was made possible, in particular the effect of H and He on radiation damage. The potentials were based on experimental and ab initio data from the literature, as well as density-functional theory calculations performed in this work. As a model for ferritic steel, iron-chromium with 10% Cr was studied. The difference between Fe and FeCr was shown to be negligible for threshold displacement energies. The properties of small He and He-vacancy clusters in Fe and FeCr were also investigated. The clusters were found to be more mobile and dissociate more rapidly than previously assumed, and the effect of Cr was small. The primary damage formed by displacement cascades was found to be heavily influenced by the presence of He, both in FeCr and W. Many important issues with fusion reactor materials remain poorly understood, and will require a huge effort by the international community. The development of potential models for new materials and the simulations performed in this thesis reveal many interesting features, but also serve as a platform for further studies.

Pressure dependence of chlorine nuclear quadrupole resonance in sodium chlorate

The pressure dependence of the chlorine NQR frequency in NaClo3 has been investigated up to 20 k bar hydrostatic pressure. A distinct break in slope in the pressure dependence of the resonance frequency is observed near 11 k bar. This is attributed to a phase transition reported earlier by Bridgman in this pressure region.

Non-resonant RF and microwave response: A novel technique for the characterization of superconducting materials

When examined using continuous wave electron paramagnetic resonance and nuclear magnetic resonance spectrometers, the high T-c superconductors give rise to intense, low field, 'non-resonant' absorption signals in the superconducting state. This phenomenon can be used as a highly sensitive, contactless technique for the detection and characterization of superconductivity even in samples containing only minute amounts of the superconducting phase. Further, it can also be applied to the determination of material parameters of interest such as J(c) and H-c2 in addition to being a powerful way of distinguishing between weak-link superconductivity and bulk superconductivity. The details of these aspects are discussed

Development of experimental setup for study of adsorption characteristics of porous materials down to 4.2 K

The knowledge of adsorption characteristics of activated carbon (porous material) in the temperature range from 5 to 20 K is essential when used in cryosorption pumps for nuclear fusion applications. However, such experimental data are very scarce in the literature, especially below 77 K. So, an experimental system is designed and fabricated to measure the adsorption characteristics of porous materials under variable cryogenic temperatures (from 5 K to 100 K). This is based on the commercially available micropore-analyser coupled to a closed helium cycle two-stage Gifford McMahon (GM) Cryocooler, which allows the sample to be cooled to 4.2 K. The sample port is coupled to the Cryocooler through a heat switch, which isolates this port from the cold head of the Cryocooler. By this, the sample temperature can now be varied without affecting the Cryocooler. The setup enables adsorption studies in the pressure range from atmospheric down to 10(-4) Pa. The paper describes the details of the experimental setup and presents the results of adsorption studies at 77 K for activated carbon with nitrogen as adsorbate. The system integration is now completed to enable adsorption studies at 4.2 K.

Between photocatalysis and photosynthesis: Synchrotron spectroscopy methods on molecules and materials for solar hydrogen generation

Energy research is to a large extent materials research, encompassing the physics and chemistry of materials, including their synthesis, processing toward components and design toward architectures, allowing for their functionality as energy devices, extending toward their operation parameters and environment, including also their degradation, limited life, ultimate failure and potential recycling. In all these stages, X-ray and electron spectroscopy are helpful methods for analysis, characterization and diagnostics for the engineer and for the researcher working in basic science.This paper gives a short overview of experiments with X-ray and electron spectroscopy for solar energy and water splitting materials and addresses also the issue of solar fuel, a relatively new topic in energy research. The featured systems are iron oxide and tungsten oxide as photoanodes, and hydrogenases as molecular systems. We present surface and subsurface studies with ambient pressure XPS and hard X-ray XPS, resonant photoemission, light induced effects in resonant photoemission experiments and a photo-electrochemical in situ/operando NEXAFS experiment in a liquid cell, and nuclear resonant vibrational spectroscopy (NRVS). (C) 2012 Elsevier B.V. All rights reserved.

Synthesis, Characterization, and Nuclear Magnetic Resonance Study of Chitosan-Coated Mn1-xZnxFe2O4 Nanocrystals

Ultra-fine crystallites of Mn1-xZnxFe2O4 series (0 <= x <= 1) were synthesized through wet chemical co- precipitation method followed by calcination at 200 degrees C for 4 hours. Formation of ferrites was confirmed by X-ray diffraction, TEM selected area diffraction (SAD) and Fourier Transform Infra-red Spectroscopy (FTIR). Nanocrystallites of different compositions in the series were coated with biocompatible chitosan in order to investigate their possible application as contrast agent for magnetic resonance imaging (MRI). Chitosan coating examined by FTIR, revealed a strong bonding of chitosan molecules to the surface of the ferrite nanocrystallites. Spin-spin, tau(2) relaxivities of nuclear spins of hydrogen protons of the solutions for different ferrites were measured from concentration dependence of relaxation time by nuclear magnetic resonance (NMR). All the compositions of Mn1-xZnxFe2O4 series possess higher values of tau(2) relaxivity thus making them suitable as contrast agents for tau(2) weighted imaging by MRI.

Polaron hopping in olivine phosphates studied by nuclear resonant scattering

Valence fluctuations of Fe²⁺ and Fe³⁺ were studied in a solid solution of Li_xFePO₄ by nuclear resonant forward scattering of synchrotron x rays while the sample was heated in a diamond-anvil pressure cell. The spectra acquired at different temperatures and pressures were analyzed for the frequencies of valence changes using the Blume-Tjon model of a system with a fluctuating Hamil- tonian. These frequencies were analyzed to obtain activation energies and an activation volume for polaron hopping. There was a large suppression of hopping frequency with pressure, giving an anomalously large activation volume. This large, positive value is typical of ion diffusion, which indicates correlated motions of polarons, and Li⁺ ions that alter the dynamics of both.

In a parallel study of Na_xFePO₄, the interplay between sodium ordering and electron mobility was investigated using a combination of synchrotron x-ray diffraction and nuclear resonant scattering. Conventional Mossbauer spectra were collected while the sample was heated in a resistive furnace. An analysis of the temperature evolution of the spectral shapes was used to identify the onset of fast electron hopping and determine the polaron hopping rate. Synchrotron x-ray diffraction measurements were carried out in the same temperature range. Reitveld analysis of the diffraction patterns was used to determine the temperature of sodium redistribution on the lattice. The diffraction analysis also provides new information about the phase stability of the system. The temperature evolution of the iron site occupancies from the Mossbauer measurements, combined with the synchrotron diffraction results give strong evidence for a relationship between the onset of fast electron dynamics and the redistribution of sodium in the lattice.

Measurements of activation barriers for polaron hopping gave fundamental insights about the correlation between electronic carriers and mobile ions. This work established that polaron-ion interactions can alter the local dynamics of electron and ion transport. These types of coupled processes may be common in many materials used for battery electrodes, and new details concerning the influence of polaron-ion interactions on the charge dynamics are relevant to optimizing their electrochemical performance.

Identification of Materials from Construction Site Images Using Content Based Image Retrieval Techniques

The capability to automatically identify shapes, objects and materials from the image content through direct and indirect methodologies has enabled the development of several civil engineering related applications that assist in the design, construction and maintenance of construction projects. Examples include surface cracks detection, assessment of fire-damaged mortar, fatigue evaluation of asphalt mixes, aggregate shape measurements, velocimentry, vehicles detection, pore size distribution in geotextiles, damage detection and others. This capability is a product of the technological breakthroughs in the area of Image and Video Processing that has allowed for the development of a large number of digital imaging applications in all industries ranging from the well established medical diagnostic tools (magnetic resonance imaging, spectroscopy and nuclear medical imaging) to image searching mechanisms (image matching, content based image retrieval). Content based image retrieval techniques can also assist in the automated recognition of materials in construction site images and thus enable the development of reliable methods for image classification and retrieval. The amount of original imaging information produced yearly in the construction industry during the last decade has experienced a tremendous growth. Digital cameras and image databases are gradually replacing traditional photography while owners demand complete site photograph logs and engineers store thousands of images for each project to use in a number of construction management tasks. However, construction companies tend to store images without following any standardized indexing protocols, thus making the manual searching and retrieval a tedious and time-consuming effort. Alternatively, material and object identification techniques can be used for the development of automated, content based, construction site image retrieval methodology. These methods can utilize automatic material or object based indexing to remove the user from the time-consuming and tedious manual classification process. In this paper, a novel material identification methodology is presented. This method utilizes content based image retrieval concepts to match known material samples with material clusters within the image content. The results demonstrate the suitability of this methodology for construction site image retrieval purposes and reveal the capability of existing image processing technologies to accurately identify a wealth of materials from construction site images.

Preliminary evaluation of a nuclear scenario involving innovative gas cooled reactors

In order to guarantee a sustainable supply of future energy demand without compromising the environment, some actions for a substantial reduction of CO 2 emissions are nowadays deeply analysed. One of them is the improvement of the nuclear energy use. In this framework, innovative gas-cooled reactors (both thermal and fast) seem to be very attractive from the electricity production point of view and for the potential industrial use along the high temperature processes (e.g., H 2 production by steam reforming or I-S process). This work focuses on a preliminary (and conservative) evaluation of possible advantages that a symbiotic cycle (EPR-PBMR-GCFR) could entail, with special regard to the reduction of the HLW inventory and the optimization of the exploitation of the fuel resources. The comparison between the symbiotic cycle chosen and the reference one (once-through scenario, i.e., EPR-SNF directly disposed) shows a reduction of the time needed to reach a fixed reference level from ∼170000 years to ∼1550 years (comparable with typical human times and for this reason more acceptable by the public opinion). In addition, this cycle enables to have a more efficient use of resources involved: the total electric energy produced becomes equal to ∼630 TWh/year (instead of only ∼530 TWh/year using only EPR) without consuming additional raw materials. © 2009 Barbara Vezzoni et al.

Research on nitrogen implantation energy dependence of the properties of SIMON materials

With different implantation energies, nitrogen ions were implanted into SIMOX wafers in our work. And then the wafers were subsequently annealed to form separated by implantation of oxygen and nitrogen (SIMON) wafers. Secondary ion mass spectroscopy (SIMS) was used to observe the distribution of nitrogen and oxygen in the wafers. The result of electron paramagnetic resonance (EPR) was suggested by the dandling bonds densities in the wafers changed with N ions implantation energies. SIMON-based SIS capacitors were made. The results of the C-V test confirmed that the energy of nitrogen implantation affects the properties of the wafers, and the optimum implantation energy was determined. (c) 2005 Elsevier B.V. All rights reserved.