Activities
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Seminars
| Seminar on Theoretical and Computational Physics:
| | Title | Designing Ferritic Steels by Ab-initio Method
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| Speaker | Dr. Nguyen Manh Duc
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| Affiliation | Theory and Modeling Department, Culham Centre for Fusion Energy, United Kingdom, Atomic Energy Authority, Abingdon, OX14 3DB, United Kingdom
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| Date | Tuesday, 19-04-2011
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| Time | 10:00
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| Location | Meeting room on the 1st floor, Institute of Physics, 10 Dao Tan, Ba Dinh, Hanoi
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| Abstract | Despite the existence of more than two thousands types of steels, novel steel qualities are required for future energy storage and conversion, mechanical engineering, transport and constructions. While the properties of novel steels may benefit from combination of different micro-structural
features, ab-initio modeling techniques as well as an atomistic understanding of alloying can enormously accelerate and guide the entire development process. Within
the realm of ab-initio electronic-structure theory, such quantum mechanical methods allows the generation of spin-
dependent structural models, the calculations of enthalpies of formation of different phases and the calculations of other physical properties...In this talk, I will
introduce the new magnetic cluster method which allows to clarify the microscopic origin of Cr precipitation phenomena inside ferritic/martensitic steels that are crucial for future nuclear power reactors.
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