Hydrodynamic stability theory of double ablation front structures in inertial confinement fusion.

The aim of inertial confinement fusion is the production of energy by the fusion of thermonuclear fuel (deuterium-tritium) enclosed in a spherical target due to its implosion. In the direct-drive approach, the energy needed to spark fusion reactions is delivered by the irradiation of laser beams that leads to the ablation of the outer shell of the target (the so-called ablator). As a reaction to this ablation process, the target is accelerated inwards, and, provided that this implosion is sufficiently strong a symmetric, the requirements of temperature and pressure in the center of the target are achieved leading to the ignition of the target (fusion). One of the obstacles capable to prevent appropriate target implosions takes place in the ablation region where any perturbation can grow even causing the ablator shell break, due to the ablative Rayleigh-Taylor instability. The ablative Rayleigh-Taylor instability has been extensively studied throughout the last 40 years in the case where the density/temperature profiles in the ablation region present a single front (the ablation front). Single ablation fronts appear when the ablator material has a low atomic number (deuterium/tritium ice, plastic). In this case, the main mechanism of energy transport from the laser energy absorption region (low density plasma) to the ablation region is the electron thermal conduction. However, recently, the use of materials with a moderate atomic number (silica, doped plastic) as ablators, with the aim of reducing the target pre-heating caused by suprathermal electrons generated by the laser-plasma interaction, has demonstrated an ablation region composed of two ablation fronts. This fact appears due to increasing importance of radiative effects in the energy transport. The linear theory describing the Rayleigh-Taylor instability for single ablation fronts cannot be applied for the stability analysis of double ablation front structures. Therefore, the aim of this thesis is to develop, for the first time, a linear stability theory for this type of hydrodynamic structures.

Time-multiscale methods for the simulation of slow transport problems in atomistic systems

En esta tesis presentamos una teoría adaptada a la simulación de fenómenos lentos de transporte en sistemas atomísticos. En primer lugar, desarrollamos el marco teórico para modelizar colectividades estadísticas de equilibrio. A continuación, lo adaptamos para construir modelos de colectividades estadísticas fuera de equilibrio. Esta teoría reposa sobre los principios de la mecánica estadística, en particular el principio de máxima entropía de Jaynes, utilizado tanto para sistemas en equilibrio como fuera de equilibrio, y la teoría de las aproximaciones del campo medio. Expresamos matemáticamente el problema como un principio variacional en el que maximizamos una entropía libre, en lugar de una energía libre. La formulación propuesta permite definir equivalentes atomísticos de variables macroscópicas como la temperatura y la fracción molar. De esta forma podemos considerar campos macroscópicos no uniformes. Completamos el marco teórico con reglas de cuadratura de Monte Carlo, gracias a las cuales obtenemos modelos computables. A continuación, desarrollamos el conjunto completo de ecuaciones que gobiernan procesos de transporte. Deducimos la desigualdad de disipación entrópica a partir de fuerzas y flujos termodinámicos discretos. Esta desigualdad nos permite identificar la estructura que deben cumplir los potenciales cinéticos discretos. Dichos potenciales acoplan las tasas de variación en el tiempo de las variables microscópicas con las fuerzas correspondientes. Estos potenciales cinéticos deben ser completados con una relación fenomenológica, del tipo definido por la teoría de Onsanger. Por último, aportamos validaciones numéricas. Con ellas ilustramos la capacidad de la teoría presentada para simular propiedades de equilibrio y segregación superficial en aleaciones metálicas. Primero, simulamos propiedades termodinámicas de equilibrio en el sistema atomístico. A continuación evaluamos la habilidad del modelo para reproducir procesos de transporte en sistemas complejos que duran tiempos largos con respecto a los tiempos característicos a escala atómica. ABSTRACT In this work, we formulate a theory to address simulations of slow time transport effects in atomic systems. We first develop this theoretical framework in the context of equilibrium of atomic ensembles, based on statistical mechanics. We then adapt it to model ensembles away from equilibrium. The theory stands on Jaynes' maximum entropy principle, valid for the treatment of both, systems in equilibrium and away from equilibrium and on meanfield approximation theory. It is expressed in the entropy formulation as a variational principle. We interpret atomistic equivalents of macroscopic variables such as the temperature and the molar fractions, wich are not required to be uniform, but can vary from particle to particle. We complement this theory with Monte Carlo summation rules for further approximation. In addition, we provide a framework for studying transport processes with the full set of equations driving the evolution of the system. We first derive a dissipation inequality for the entropic production involving discrete thermodynamic forces and fluxes. This discrete dissipation inequality identifies the adequate structure for discrete kinetic potentials which couple the microscopic field rates to the corresponding driving forces. Those kinetic potentials must finally be expressed as a phenomenological rule of the Onsanger Type. We present several validation cases, illustrating equilibrium properties and surface segregation of metallic alloys. We first assess the ability of a simple meanfield model to reproduce thermodynamic equilibrium properties in systems with atomic resolution. Then, we evaluate the ability of the model to reproduce a long-term transport process in complex systems.