Abstract
The substitution of helium atom inside BCC Fe results in (1) lattice distortion, (2) the resonance phonon modes, and (3) the scattering center, enhancing the anharmonicity of phonon and magnon. The ferromagnetic effects are analyzed by comparing results in the ferromagnetic and non-magnetic systems using spin-lattice dynamics simulations based on quantum fluctuation dissipation relation. The ferromagnetic effects are subtracted into static and dynamic contributions, where the former is found to be dominant. Neglecting ferromagnetic effects would bring with unexpected large error in the description of kinetics of helium in metals.
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