XO
X. Ou
6 records found
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Nucleation is the re-arrangement of a small number of atoms in the structure of a material leading to a new phase. According to the classical nucleation theory, a nucleus will grow if there is an energetically favourable balance between the stability of the newly formed structure
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Molecular dynamics simulations are used to study the effects of tensile loading on nucleation and subsequent growth of bcc phase in pure fcc iron. The results show that orientation variant selection occurs during the stress-induced fcc-to-bcc transformation, which leads to the co
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The aim of this PhD. thesis is to use molecular dynamics (MD) simulations to comprehend the mechanisms governing nucleation and growth of martensite phase in austenitic phases in iron. In view of this objective, the thesis is divided into five parts: Chapter 2 reviews previous in
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Molecular dynamics (MD) simulation has been used to study the martensitic transformation in iron at the atomic scale. The paper reviews the available interatomic interaction potentials for iron, which describe the properties of different phases present in that system. Cases on th
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Molecular dynamics simulations have been used to study the effects of different orientation relationships between fcc and bcc phases on the bcc/fcc interfacial propagation in pure iron systems at 300 K. Three semi-coherent bcc/fcc interfaces have been investigated. In all the cas
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Molecular dynamics simulations have been used to study the effect of fcc/bcc interfaces in the Nishiyama-Wasserman (N-W) orientation relationship on the fcc-to-bcc transformation at 300 K in pure iron. Simulations show the growth of the original bcc phase present in the initial c
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