Simulación atomística de metales líquidos y aleaciones para reactores de fusión nuclear = Atomistic simulation of liquid metals and alloys for nuclear fusion reactors

La presente tesis comprende un estudio de metales líquidos, Li, Pb y eutéctico Li17Pb en el ámbito de la tecnología de fusión nuclear. Uno de los problemas fundamentales en futuros reactores de fusión es la producción y extracción de tritio en la denominada envoltura regeneradora (blanket en inglés). Dicho blanket tendrá dos propósitos, la extracción del calor generado por las reacciones de fusión para su posterior conversión en energía eléctrica así como la producción de tritio para realimentar el proceso. Dicha producción se realizará mediante el “splitting” del Li con los neutrones provenientes de la fusión. Esta reacción produce tritio y helio por lo que la interacción del T y el He con el metal líquido, con los materiales estructurales así como con el He es un problema fundamental aun no bien entendido y de gran importancia para futuros diseños. Los capítulos 1 2 y 3 presentan una introducción a dichos problemas. El capítulo 1 introduce al lector en la tecnología de fusión nuclear. El segundo capítulo explica en mayor detalle el uso de metales líquidos en reactores de fusión, no solo en blankets sino también como primera pared, divertor etc, lo que se denomina en general “plasma facing materials”. Por último se ofrece una breve introducción a las técnicas de dinámica molecular clásica (CMD) y un breve resumen de los potenciales más usados. El estudio se ha llevado a cabo utilizando simulación atomística mediante potenciales semi-empíricos del tipo átomo embebido (EAM). La Tesis consta de 4 partes bien definidas. En primer lugar se verificó la idoneidad de los potenciales tipo EAM para simular las propiedades de los metales Li y Pb en fase líquida. Dicho estudio se detalla en el Capítulo 4 y en su extensión, el Apéndice 1, en el que se estudia los límites de validez de esta aproximación. Los resultados de dicho estudio han sido publicados y presentados en diversos congresos internacionales. Un resumen de la metodología seguida fue publicado como capítulo de libro en Technofusión 2011. Los resultados se presentaron en diversos congresos internacionales, entre ellos ICENES 2011, (Artículo en ICENES Proceedings) ICOPS-SOFE 2011, en una presentación oral etc. El trabajo ha sido aceptado recientemente en Journal of Nuclear Materiales (Fraile et al 2012). La segunda parte y más importante comprende el desarrollo de un potencial para el estudio de la mezcla de ambos metales. Éste es el trabajo más novedoso e importante dado que no existía en la literatura un potencial semejante. Se estudiaron dos aproximaciones distintas al problema, un potencial tipo EAM/cd y un potencial EAM/alloy. Ambos potenciales dan resultados satisfactorios para la simulación del eutéctico (y concentraciones de Li menores que el 17%). Sin embargo el sistema LiPb en todas las concentraciones es un sistema que se aparta enormemente de una solución ideal y dicho potencial no daba buenos resultados para mezclas PbLi con concentraciones de Li grandes. Este problema fue solventado mediante el desarrollo de un segundo potencial, esta vez tipo EAM/alloy (segunda parte del Capítulo 5). Dicho trabajo será enviado a Physical Review Letters o a Phys. Rev. B, y una extensión junto con un estudio detallado de las propiedades del eutéctico de acuerdo con nuestras simulaciones se enviará a continuación a Phys. Rev. B. En tercer lugar se estudió el problema de la difusividad del H en metales líquidos aprovechando distintos potenciales existentes en la literatura. El problema del H en metales líquidos es importante en metalurgia. En dicho capítulo se estudió la difusividad del H en Pd, Ni y Al con potenciales tipo EAM, y también con un potencial más sofisticado que tiene en cuenta la dependencia angular de las interacciones (ADP por sus siglas en inglés). De este modo disponemos de un estudio detallado del problema con diferentes modelos y diferentes metales. La conclusión apunta a que si se compara con los resultados experimentales (muy escasos) los resultados obtenidos mediante CMD dan valores bajos de la difusividad del H. Las razones de dicho desacuerdo entre simulación y experimentos se detallan en el Capítulo 6. Este trabajo ha sido presentado en una presentación oral en el reciente congreso internacional “Trends on Nanothecnology” TNT 2012 celebrado en Madrid. El trabajo será publicado en un futuro próximo. Por último, como se dijo anteriormente, el estudio del He, la formación de burbujas en metales líquidos, su difusión nucleación y cavitación es otro problema deseable de ser estudiado mediante técnicas atomísticas. Para ello es necesario el desarrollo de diversos potenciales, He-Li, He-Pb y un potencial ternario Pb-Li-He. Para ello se han realizado simulación ab initio de los sistemas Pb+He y Li+He. Dicho estudio pretende calcular las fuerzas entre los átomos del metal (Pb o Li) con intersticiales de He. De este modo aplicaremos el “force matching method” (FMM) para el desarrollo de dichos potenciales. En el Capítulo 7 se detallan los resultados obtenidos referidos a las posiciones más favorables de las impurezas de He dentro de redes cristalinas de Pb y Li así como el efecto de tener en cuenta el acoplo spin-orbita (SOC en inglés). El análisis de los resultados en términos de transferencia de carga y análisis de las densidades electrónicas, así como la creación de los potenciales mencionados está en progreso. En conjunto la tesis presenta un estudio de los diversos problemas relacionados con el uso de metales líquidos en reactores de fusión y representa un primer paso en la determinación de parámetros de gran importancia para el diseño de blankets y sistemas de primera pared. Con la simulación MD de dichos problemas mediante, importante, potenciales realistas, valores de difusión, solubilidad etc de especies ligeras, H (o sus isotopos) y He en metales líquidos podrá ser calculada complementando así la base de datos que presenta enormes incertidumbres.

Evaluation of a Change Detection Methodology by Means of Binary Thresholding Algorithms and Informational Fusion Processes

Landcover is subject to continuous changes on a wide variety of temporal and spatial scales. Those changes produce significant effects in human and natural activities. Maintaining an updated spatial database with the occurred changes allows a better monitoring of the Earth?s resources and management of the environment. Change detection (CD) techniques using images from different sensors, such as satellite imagery, aerial photographs, etc., have proven to be suitable and secure data sources from which updated information can be extracted efficiently, so that changes can also be inventoried and monitored. In this paper, a multisource CD methodology for multiresolution datasets is applied. First, different change indices are processed, then different thresholding algorithms for change/no_change are applied to these indices in order to better estimate the statistical parameters of these categories, finally the indices are integrated into a change detection multisource fusion process, which allows generating a single CD result from several combination of indices. This methodology has been applied to datasets with different spectral and spatial resolution properties. Then, the obtained results are evaluated by means of a quality control analysis, as well as with complementary graphical representations. The suggested methodology has also been proved efficiently for identifying the change detection index with the higher contribution.

Wavelet-based image fusion in multi-view three-dimensional microscopy

Multi-view microscopy techniques such as Light-Sheet Fluorescence Microscopy (LSFM) are powerful tools for 3D + time studies of live embryos in developmental biology. The sample is imaged from several points of view, acquiring a set of 3D views that are then combined or fused in order to overcome their individual limitations. Views fusion is still an open problem despite recent contributions in the field. We developed a wavelet-based multi-view fusion method that, due to wavelet decomposition properties, is able to combine the complementary directional information from all available views into a single volume. Our method is demonstrated on LSFM acquisitions from live sea urchin and zebrafish embryos. The fusion results show improved overall contrast and details when compared with any of the acquired volumes. The proposed method does not need knowledge of the system's point spread function (PSF) and performs better than other existing PSF independent fusion methods.

Ion beam analysis of as-received, H-implanted and post implanted annealed fusion steels

The elemental distribution for as-received (AR), H implanted (AI) and post-implanted annealed (A) Eurofer and ODS-Eurofer steels has been characterized by means of micro Particle Induced X-ray Emission (μ-PIXE), micro Elastic Recoil Detection (μ-ERD) and Secondary Ion Mass Spectrometry (SIMS). The temperature and time-induced H diffusion has been analyzed by Resonance Nuclear Reaction Analysis (RNRA), Thermal Desorption Spectroscopy (TDS), ERDA and SIMS techniques. μ-PIXE measurements point out the presence of inhomogeneities in the Y distribution for ODS-Eurofer samples. RNRA and SIMS experiments evidence that hydrogen easily outdiffuses in these steels even at room temperature. ERD data show that annealing at temperatures as low as 300 °C strongly accelerates the hydrogen diffusion process, driving out up to the 90% of the initial hydrogen.

Supersonic regime of the Hall-magnetohydrodynamics resistive tearing instability

An earlier analysis of the Hall-magnetohydrodynamics (MHD) tearing instability [E. Ahedo and J. J. Ramos, Plasma Phys. Controlled Fusion 51, 055018 (2009)] is extended to cover the regime where the growth rate becomes comparable or exceeds the sound frequency. Like in the previous subsonic work, a resistive, two-fluid Hall-MHD model with massless electrons and zero-Larmor-radius ions is adopted and a linear stability analysis about a force-free equilibrium in slab geometry is carried out. A salient feature of this supersonic regime is that the mode eigenfunctions become intrinsically complex, but the growth rate remains purely real. Even more interestingly, the dispersion relation remains of the same form as in the subsonic regime for any value of the instability Mach number, provided only that the ion skin depth is sufficiently small for the mode ion inertial layer width to be smaller than the macroscopic lengths, a generous bound that scales like a positive power of the Lundquist number

Failure mechanism of reinforced concrete structural walls with and without confinement

This paper presents the results of cyclic loading tests on two large-scale reinforced concrete structural walls that were conducted at Purdue University. One of the walls had confinement reinforcement meeting ACI-318-11 requirements while the other wall did not have any confinement reinforcement. The walls were tested as part of a larger study aimed at indentifying parameters affecting failure modes observed to limit the drift capacity of structural walls in Chile during the Maule Earthquake of 2010. These failure modes include out-of-plane buckling (of the wall rather tan individual reinforcing bars), compression failure, and bond failure. This paper discusses the effects of confinement on failure mode. Distributions of unit strain and curvature obtained with a dense array of non-contact coordinate-tracking targets are also presented.

The seminar of nuclear safety in advanced reactors and the seminar of nuclear fusion: two formative initiatives from Universidad Politécnica de Madrid and spanish young Generation in Nuclear (Jóvenes Nucleares)

panish Young Generation in Nuclear (Jóvenes Nucleares) is a commission of the Spanish Nuclear Society (SNE), whose main goals are to spread knowledge about nuclear energy among the society. Following this motivation, two Seminars have been carried out with the collaboration of the Technical University of Madrid: The Seminar of Nuclear Safety in Advanced Reactors (SRA) and the Seminar of Nuclear Fusion (SFN). The first one, which has been celebrated every year since 2010, aims to show clearly the advances that have been obtained in the section of safety with the new reactors, from a technical but simple point of view and without needing great previous nuclear engineering knowledge. The second one, which first edition was held in 2011, aims to give a general overview of the past, present and future situation of nuclear fusion technology, and was born as a result of the increasing interest of our Spanish Young Generation members in this technology.

Ultraintense lasers applied to laser fusion material testing: production of ions, X rays and neutrons

Due to the particular characteristics of the fusion products, i.e. very short pulses (less than a few μs long for ions when arriving to the walls; less than 1 ns long for X-rays), very high fluences ( 10 13 particles/cm 2 for both ions and X rays photons) and broad particle energy spectra (up to 10 MeV ions and 100 keV photons), the laser fusion community lacks of facilities to accurately test plasma facing materials under those conditions. In the present work, the ability of ultraintese lasers to create short pulses of energetic particles and high fluences is addressed as a solution to reproduce those ion and X-ray bursts. Based on those parameters, a comparison between fusion ion and laser driven ion beams is presented and discussed, describing a possible experimental set-up to generate with lasers the appropriate ion pulses. At the same time, the possibility of generating X-ray or neutron beams which simulate those of laser fusion environments is also indicated and assessed under current laser intensities. It is concluded that ultraintense lasers should play a relevant role in the validation of materials for laser fusion facilities.

Stopping of α particles from the core in corona plasmas

In the laser fusion reactor design, the protection of first wall and the final optics from high energy ions is the key issue. So, it is necessary to predict the precise energy spectra of ions.In the previous reactor designs, the ion energy spectra were provided by the classical ion transport codes. However, this poster shows that the α particle spectrum is significantly modified by the anomalous process in ablated plasmas.

Quantum molecular dynamics and ab initio studies of the crystal structure of hydrogen and deuterium

Hydrogen isotopes play a critical role both in inertial and magnetic confinemen Nuclear Fusion. Since the preferent fuel needed for this technology is a mixture of deuterium and tritium. The study of these isotopes particularly at very low temperatures carries a technological interest in other applications. The present line promotes a deep study on the structural configuration that hydrogen and deuterium adopt at cryogenic temperatures and at high pressures. Typical conditions occurring in present Inertial Fusion target designs. Our approach is aims to determine the crystal structure characteristics, phase transitions and other parameters strongly correlated to variations of temperature and pressure.

Self Cooled Lead Lithium blanket and reactor for HiPER

Within the frame of the HiPER reactor, we propose and study a Self Cooled Lead Lithium blanket with two different cooling arrangements of the system First Wall – Blanket for the HiPER reactor: Integrated First Wall Blanket and Separated First Wall Blanket. We compare the two arrangements in terms of power cycle efficiency, operation flexibility in out-off-normal situations and proper cooling and acceptable corrosion. The Separated First Wall Blanket arrangement is superior in all of them, and it is selected as the advantageous proposal for the HiPER reactor blanket. However, it still has to be improved from the standpoint of proper cooling and corrosion rates

Atmospheric modelling of tritium forms transport: review of capabilities and R&D needs for the assessment of fusion facilities environmental impact

One of the key scrutiny issues of new coming energy era would be the environmental impact of fusion facilities managing one kg of tritium. The potential change of committed dose regulatory limits together with the implementation of nuclear design principles (As Low as Reasonably achievable - ALARA -, Defense in Depth -D-i-D-) for fusion facilities could strongly impact on the cost of deployment of coming fusion technology. Accurate modeling of environmental tritium transport forms (HT, HTO) for the assessment of fusion facility dosimetric impact in Accidental case appears as of major interest. This paper considers different short-term releases of tritium forms (HT and HTO) to the atmosphere from a potential fusion reactor located in the Mediterranean Basin. This work models in detail the dispersion of tritium forms and dosimetric impact of selected environmental patterns both inland and in-sea using real topography and forecast meteorological data-fields (ECMWF/FLEXPART). We explore specific values of this ratio in different levels and we examine the influence of meteorological conditions in the HTO behavior for 24 hours. For this purpose we have used a tool which consists on a coupled Lagrangian ECMWF/FLEXPART model useful to follow real time releases of tritium at 10, 30 and 60 meters together with hourly observations of wind (and in some cases precipitations) to provide a short-range approximation of tritium cloud behavior. We have assessed inhalation doses. And also HTO/HT ratios in a representative set of cases during winter 2010 and spring 2011 for the 3 air levels.

Plasma facing materials for fusion reactor applications

The lack of plasma facing materials (PFM) able to withstand the severe magnetiicffusiion radiation conditions expected in fusion reactors is the actual bottle In both fusions approaches energy is released in the form of kinetic energy of neck for fusion to becomes a reality.

Nanostructured tungsten as a first wall material for the future nuclear fusion reactors

The lack of materials able to withstand the severe radiation conditions (high thermal loads and atomistic damage) expected in fusion reactors is the actual bottle neck for fusion to become a reality. The main requisite for plasma facing materials (PFM) is to have excellent structural stability since severe cracking or mass loss would hamper their protection role which turns out to be unacceptable. Additional practical requirements for plasma facing materials are among others: (i) high thermal shock resistance, (ii) high thermal conductivity (iii) high melting point (iv) low physical and chemical sputtering, and (v) low tritium retention.

Effect of ion flux on helium retention in helium-irradiated tungsten

Helium retention in irradiated tungsten leads to swelling, pore formation, sample exfoliation and embrittlement with deleterious consequences in many applications. In particular, the use of tungsten in future nuclear fusion plants is proposed due to its good refractory properties. However, serious concerns about tungsten survivability stems from the fact that it must withstand severe irradiation conditions. In magnetic fusion as well as in inertial fusion (particularly with direct drive targets), tungsten components will be exposed to low and high energy ion (helium) irradiation, respectively. A common feature is that the most detrimental situations will take place in pulsed mode, i.e., high flux irradiation. There is increasing evidence on a correlation between a high helium flux and an enhancement of detrimental effects on tungsten. Nevertheless, the nature of these effects is not well understood due to the subtleties imposed by the exact temperature profile evolution, ion energy, pulse duration, existence of impurities and simultaneous irradiation with other species. Physically based Kinetic Monte Carlo is the technique of choice to simulate the evolution of radiation-induced damage inside solids in large temporal and space scales. We have used the recently developed code MMonCa (Modular Monte Carlo simulator), presented in this conference for the first time, to study He retention (and in general defect evolution) in tungsten samples irradiated with high intensity helium pulses. The code simulates the interactions among a large variety of defects and impurities (He and C) during the irradiation stage and the subsequent annealing steps. In addition, it allows us to vary the sample temperature to follow the severe thermo-mechanical effects of the pulses. In this work we will describe the helium kinetics for different irradiation conditions. A competition is established between fast helium cluster migration and trapping at large defects, being the temperature a determinant factor. In fact, high temperatures (induced by the pulses) are responsible for large vacancy cluster formation and subsequent additional trapping with respect to low flux irradiation.