RT info:eu-repo/semantics/masterThesis
T1 First principles study of Tritium-doped Lithium-Lead liquid alloy: structure and diffusion
A1 Martín Dalmas, Joël
A2 Universidad de Valladolid. Facultad de Ciencias
K1 Lithium-Lead liquid alloy
K1 Tritium-doped
K1 TOKAMAK
AB In this article, we will discuss the behaviour of the atoms that constitute the blanket part of TOKAMAKfusion reactors breeder, through of Ab initio molecular dynamics simulations. One of the proposed materials toconstitute this blanket is the eutectic LiPb liquid alloy. In our simulations, we considered a system formed byLithium and Lead and we have also included Tritium atoms to perform a more accurate modelling. Representingthe system by four different thermodynamic conditions, varying the amount of Tritium dissolved and the density(or pressure) we were able to compare and carry out a wide study about the properties of the system. In the firstplace, we studied the statical magnitudes of the three-component liquid. We were able to appreciate the formationof Tritium molecules, so it was necessary to change the analysis of our system to that of a four-component liquid(Li, Pb T atoms and T2 molecules). We considered the atomic organization of the system by studying the waythat the different components are distributed around each type of atom/molecule. After that, we also worked onthe dynamical magnitudes, obtaining the diffusion coefficient of the different atoms and also their vibrationalfrequencies. In the particular case of the T atoms, we could verify that the vibration frequency of the T2 moleculeprovides an appreciable signal to the spectrum, and how their interaction with Li atoms modifies these frequencies.
YR 2020
FD 2020
LK http://uvadoc.uva.es/handle/10324/43523
UL http://uvadoc.uva.es/handle/10324/43523
LA eng
NO Departamento de Física Teórica, Atómica y Óptica
DS UVaDOC
RD 26-abr-2024