Molecular Dynamics Simulations of Lead and Lithium in Liquid Phase

Pb17Li is today a reference breeder material in diverse fusion R&D programs worldwide. Extracting dynamic and structural properties of liquid LiPb mixtures via molecular dynamics simulations, represent a crucial step for multiscale modeling efforts in order to understand the suitability of this compound for future Nuclear Fusion technologies. At present a Li-Pb cross potential is not available in the literature. Here we present our first results on the validation of two semi-empirical potentials for Li and Pb in liquid phase. Our results represent the establishment of a solid base as a previous but crucial step to implement a LiPb cross potential. Structural and thermodynamical analyses confirm that the implemented potentials for Li and Pb are realistic to simulate both elements in the liquid phase.

Molecular dynamics simulations of lead and lithium in liquid phase

Pb17Li is today a reference breeder material in diverse fusion R&D programs worldwide. Extracting dynamic and structural properties of liquid LiPb mixtures via molecular dynamics simulations, represent a crucial step for multiscale modeling efforts in order to understand the suitability of this compound for future Nuclear Fusion technologies. At present a Li-Pb cross potential is not available in the literature. Here we present our first results on the validation of two semi-empirical potentials for Li and Pb in liquid phase. Our results represent the establishment of a solid base as a previous but crucial step to implement a LiPb cross potential. Structural and thermodynamical analyses confirm that the implemented potentials for Li and Pb are realistic to simulate both elements in the liquid phase.

Li & Pb MD Sinulations

Pb17Li is today a reference breeder material in diverse fusion R&D programs worldwide. Extracting dynamic and structural properties of liquid LiPb mixtures via molecular dynamics simulations, represent a crucial step for multiscale modeling efforts in order to understand the suitability of this compound for future Nuclear Fusion technologies. At present a Li-Pb cross potential is not available in the literature. Here we present our first results on the validation of two semi-empirical potentials for Li and Pb in liquid phase. Our results represent the establishment of a solid base as a previous but crucial step to implement a LiPb cross potential. Structural and thermodynamical analyses confirm that the implemented potentials for Li and Pb are realistic to simulate both elements in the liquid phase.

Modelling of spectral properties and population kinetics studies of inertial fusión and laboratory astrophysical plasmas

Fundamental research and modelling in plasma atomic physics continue to be essential for providing basic understanding of many different topics relevant to high-energy-density plasmas. The Atomic Physics Group at the Institute of Nuclear Fusion has accumulated experience over the years in developing a collection of computational models and tools for determining the atomic energy structure, ionization balance and radiative properties of, mainly, inertial fusion and laser-produced plasmas in a variety of conditions. In this work, we discuss some of the latest advances and results of our research, with emphasis on inertial fusion and laboratory-astrophysical applications.

Assessment of Content of Tritium, Other Hydrogen Isotopes and Helium in a W Armor for an Experimental HIPER Chamber

Tritium breeding is an essential component of future fusion nuclear reactors. Nuclear fusion reactors require Kg quantities of tritium per year of operation.

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.

Ab initio Methodology for Calculating Elastic Constant and Sound Velocity for Hydrogen and Deuterium in Molecular Solid Phase

Hydrogen isotopes play a critical role both in inertial and magnetic confinement 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. With this results is possible calculated the elastic constant and sound velocity for hydrogen and deuterium in molecular solid phase.

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.

Electron temperature versus laser intensity times wavelength squared: a comparison of theory and experiments

The peak temperature in the corona of plasma ejected by a laser-irradiated slab is discussed in terms of a one-electron-temperature model. Both heat-flux saturation and pulse rise-time effects are considered;the intensity in the rising half of the pulse is approximated by a linear function of time, I(t) = Iot/r. The temperature is found to be proportional to (IQX2)273 and a function of I0X4/r. Above a certain value of I0X4/T, the plasma presents two characteristic temperatures (at saturation and at the critical surface) which can be identified with experimentally observed cold- and hot-electron temperatures. The results are compared with extensive experimental data available for both nd and CO2 lasers, I0(W'cnf2) X2 (/um) starting around 1012. The agreement is good if substantial flux inhibition is assumed (flux-limit factor f = 0.03), and fails for I0X2 above 1O1S. Results for both ablation pressure and mass ablation rate are also given.

D-depth profiling in as-implanted and annealed Li-based breeder blanket ceramics

In future power plants (i.e. DEMO), the nuclear fusion of hydrogen isotopes will be used for energy production. The behaviour of hydrogen isotopes in lithium-enriched ceramics for breeder blankets (BBs) is one of the most important items to be understood. In this paper we present the chemical, microstructural and morphological features of Li4SiO4, Li2TiO3 and a third ceramic candidate with a higher Li:Si proportion (3:1), implanted with D at an energy of 100 keV and at room temperature at a fluence of 1 × 1017 cm−2. The D depth-profile in as-implanted and annealed ceramics (at T ⩽ 200 °C) was characterised by Resonance Nuclear Reaction Analysis (RNRA). The RNRA data indicate that the total amount of D is retained at room temperature, while annealing at 100 °C promotes D release and annealing at T ⩾ 150 °C drives D to completely desorb from all the studied ceramics. D release will be discussed as a function of the microstructurural and morphological features of each material.

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 irradiation (helium), 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 of 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. Object 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 at COSIRES 2012 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 during the irradiation stage and the subsequent annealing steps. The results show that the pulsed mode leads to significantly higher He retention at temperatures higher than 700 K. In this paper we discuss the process of He retention in terms of trap evolution. In addition, we discuss the implications of these findings for inertial fusion.

Atomic physics modeling and applications for ICF plasmas

The Atomic Physics Group at the Institute of Nuclear Fusion (DENIM) in Spain has accumulated experience over the years in developing a collection of computational models and tools for determining some relevant microscopic properties of, mainly, ICF and laser-produced plasmas in a variety of conditions. In this work several applications of those models in determining some relevant microscopic properties are presented.

Microstructure and mechanical properties at high temperature of SiC-matrix by electrophoretic deposition and polymer infiltration and pyrolysis process

The EFDA-ITER programme for materials wants to develop new structural materials for future nuclear magnetic fusion reactors. In this context, special attention must be paid in the development of new composite materials that could support the hard working conditions of the nuclear fusion reactors: high temperature, high stresses, and high radiation.

Modelización e integración de sistemas de adquisición de datos inteligentes en sistemas de instrumentación para dispositivos de fusión

La obtención de energía a partir de la fusión nuclear por confinamiento magnético del plasma, es uno de los principales objetivos dentro de la comunidad científica dedicada a la energía nuclear. Desde la construcción del primer dispositivo de fusión, hasta la actualidad, se han llevado a cabo multitud de experimentos, que hoy en día, gran parte de ellos dan soporte al proyecto International Thermonuclear Experimental Reactor (ITER). El principal problema al que se enfrenta ITER, se basa en la monitorización y el control del plasma. Gracias a las nuevas tecnologías, los sistemas de instrumentación y control permiten acercarse más a la solución del problema, pero a su vez, es más complicado estandarizar los sistemas de adquisición de datos que se usan, no solo en ITER, sino en otros proyectos de igual complejidad. Desarrollar nuevas implementaciones hardware y software bajo los requisitos de los diagnósticos definidos por los científicos, supone una gran inversión de tiempo, retrasando la ejecución de nuevos experimentos. Por ello, la solución que plantea esta tesis, consiste en la definición de una metodología de diseño que permite implementar sistemas de adquisición de datos inteligentes y su fácil integración en entornos de fusión para la implementación de diagnósticos. Esta metodología requiere del uso de los dispositivos Reconfigurable Input/Output (RIO) y Flexible RIO (FlexRIO), que son sistemas embebidos basados en tecnología Field-Programmable Gate Array (FPGA). Para completar la metodología de diseño, estos dispositivos van a ser soportados por un software basado en EPICS Device Support utilizando la tecnología EPICS software asynDriver. Esta metodología se ha evaluado implementando prototipos para los controladores rápidos de planta de ITER, tanto para casos prácticos de ámbito general como adquisición de datos e imágenes, como para casos concretos como el diagnóstico del fission chamber, implementando pre-procesado en tiempo real. Además de casos prácticos, esta metodología se ha utilizado para implementar casos reales, como el Ion Source Hydrogen Positive (ISHP), desarrollada por el European Spallation Source (ESS Bilbao) y la Universidad del País Vasco. Finalmente, atendiendo a las necesidades que los experimentos en los entornos de fusión requieren, se ha diseñado un mecanismo mediante el cual los sistemas de adquisición de datos, que pueden ser implementados mediante la metodología de diseño propuesta, pueden integrar un reloj hardware capaz de sincronizarse con el protocolo IEEE1588-V2, permitiendo a estos, obtener los TimeStamps de las muestras adquiridas con una exactitud y precisión de decenas de nanosegundos y realizar streaming de datos con TimeStamps. ABSTRACT Fusion energy reaching by means of nuclear fusion plasma confinement is one of the main goals inside nuclear energy scientific community. Since the first fusion device was built, many experiments have been carried out and now, most of them give support to the International Thermonuclear Experimental Reactor (ITER) project. The main difficulty that ITER has to overcome is the plasma monitoring and control. Due to new technologies, the instrumentation and control systems allow an approaching to the solution, but in turn, the standardization of the used data acquisition systems, not only in ITER but also in other similar projects, is more complex. To develop new hardware and software implementations under scientific diagnostics requirements, entail time costs, delaying new experiments execution. Thus, this thesis presents a solution that consists in a design methodology definition, that permits the implementation of intelligent data acquisition systems and their easy integration into fusion environments for diagnostic purposes. This methodology requires the use of Reconfigurable Input/Output (RIO) and Flexible RIO (FlexRIO) devices, based on Field-Programmable Gate Array (FPGA) embedded technology. In order to complete the design methodology, these devices are going to be supported by an EPICS Device Support software, using asynDriver technology. This methodology has been evaluated implementing ITER PXIe fast controllers prototypes, as well as data and image acquisition, so as for concrete solutions like the fission chamber diagnostic use case, using real time preprocessing. Besides of these prototypes solutions, this methodology has been applied for the implementation of real experiments like the Ion Source Hydrogen Positive (ISHP), developed by the European Spallation Source and the Basque country University. Finally, a hardware mechanism has been designed to integrate a hardware clock into RIO/FlexRIO devices, to get synchronization with the IEEE1588-V2 precision time protocol. This implementation permits to data acquisition systems implemented under the defined methodology, to timestamp all data acquired with nanoseconds accuracy, permitting high throughput timestamped data streaming.