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- W2801993693 abstract "In the Yukawa system with the dimensionless screening parameter κ>1.5, when bcc-fcc transition occurs via Bain path, we show that spontaneous transitions do not occur even if the system temperature reaches the transition point of bcc-fcc because it is necessary to increase once the free energy in the process of transition from bcc to fcc through Bain deformation. Here, we refer the temporary increment of the free energy during Bain deformation as Bain barrier. Since there are the Bain barriers at the transitions between bcc and fcc phases, these phases may coexist as metastable state in the wide region (not a coexistence line) of κ and the coupling constant Γ. We study the excess energy of the system and the free energy difference between bcc and fcc phases by the Monte Carlo method, where the simulation box is divided into a large number of elements with small volume and a particle in the box is restricted be placed in one of these elements. By this method, we can tabulate the values of the interparticle potential and can calculate the internal energy fast and precisely." @default.
- W2801993693 created "2018-05-17" @default.
- W2801993693 creator A5040823119 @default.
- W2801993693 date "2018-05-01" @default.
- W2801993693 modified "2023-09-24" @default.
- W2801993693 title "Energy barrier of bcc-fcc phase transition via the Bain path in Yukawa system" @default.
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- W2801993693 doi "https://doi.org/10.1063/1.5026709" @default.
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