First principles study of Tritium-doped Lithium-Lead liquid alloy: structure and diffusion
In this article, we will discuss the behaviour of the atoms that constitute the blanket part of TOKAMAK fusion reactors breeder, through of Ab initio molecular dynamics simulations. One of the proposed materials to constitute this blanket is the eutectic LiPb liquid alloy. In our simulations, we con...
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| Tipo de recurso: | tesis de maestría |
| Fecha de publicación: | 2020 |
| País: | España |
| Institución: | Universidad de Valladolid |
| Repositorio: | UVaDOC. Repositorio Documental de la Universidad de Valladolid |
| OAI Identifier: | oai:uvadoc.uva.es:10324/43523 |
| Acceso en línea: | http://uvadoc.uva.es/handle/10324/43523 |
| Access Level: | acceso abierto |
| Palabra clave: | Lithium-Lead liquid alloy Tritium-doped TOKAMAK |
| Sumario: | In this article, we will discuss the behaviour of the atoms that constitute the blanket part of TOKAMAK fusion reactors breeder, through of Ab initio molecular dynamics simulations. One of the proposed materials to constitute this blanket is the eutectic LiPb liquid alloy. In our simulations, we considered a system formed by Lithium and Lead and we have also included Tritium atoms to perform a more accurate modelling. Representing the 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 first place, we studied the statical magnitudes of the three-component liquid. We were able to appreciate the formation of 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 way that the different components are distributed around each type of atom/molecule. After that, we also worked on the dynamical magnitudes, obtaining the diffusion coefficient of the different atoms and also their vibrational frequencies. In the particular case of the T atoms, we could verify that the vibration frequency of the T2 molecule provides an appreciable signal to the spectrum, and how their interaction with Li atoms modifies these frequencies. |
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