| Quantum study of beryllium interaction with tungsten (100) surface |
A.Allouche
Physique des Interactions Ioniques et Moléculaires,
CNRS and Université de Provence,
Campus Scientifique de Saint Jérôme, service 242, 13397 Marseille Cedex 20 - FRANCE
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| Beryllium, tungsten and carbon are planned as wall cladding materials for the future international tokamak (ITER). Be and W will be the dominant components and therefore the formation of binary Be-W alloys under plasma action is one of the most important issues in plasma-wall interaction processes at the first wall. This article proposes a first principles DFT study of beryllium atoms retention in tungsten. In a first step the beryllium adsorption energy is calculated on W(100) surface, and then the barrier to inclusion into the bulk. For each calculation the electronic structure of the formed compound is analyzed through density of states (DOS) calculation. |
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