2018
DOI: 10.1007/s10853-018-2358-5
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Radiation-induced structural evolution in Zr2Cu metallic glass

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Cited by 21 publications
(2 citation statements)
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“…The movement of the recoil atom could lead to the phase transformation, particularly for crystal materials; however, for Fe 54 Cr 18 Mo 2 Zr 8 B 18 amorphous coating, the transient vacancy-like defects caused by the collision cascades can likely be annihilated by combining with neighboring free volumes. As revealed by previous simulation work, redistribution of free volumes would subsequently occur in the amorphous structure until a new balance of both structure and energy is achieved [46,47]. In other words, the existence of free volumes in glassy solids can annihilate the vacancy-like defects and the rearrangement of the free volumes leads to a re-stabilized structure, thus producing the observed high radiation resistance of the amorphous coating.…”
Section: Au-ion Irradiationsmentioning
confidence: 77%
“…The movement of the recoil atom could lead to the phase transformation, particularly for crystal materials; however, for Fe 54 Cr 18 Mo 2 Zr 8 B 18 amorphous coating, the transient vacancy-like defects caused by the collision cascades can likely be annihilated by combining with neighboring free volumes. As revealed by previous simulation work, redistribution of free volumes would subsequently occur in the amorphous structure until a new balance of both structure and energy is achieved [46,47]. In other words, the existence of free volumes in glassy solids can annihilate the vacancy-like defects and the rearrangement of the free volumes leads to a re-stabilized structure, thus producing the observed high radiation resistance of the amorphous coating.…”
Section: Au-ion Irradiationsmentioning
confidence: 77%
“…As the PKA engaged a number of atoms in chaotic motion, collision cascades were generated and the model became unstable. After this period, the NVE ensemble was unsuitable to simulate the evolving cooling or structural relaxation process, 33 thus, the NPT (constant number of particles, pressure and temperature) ensemble considering more fitting was implemented with a constant time step of 2 fs, lasting for 30 ns. In the NPT ensemble, the initial temperature was set to inherit the final temperature after the NVE simulation ends with the NPT ensemble reaching a temperature of 300 K, the final temperature at which the system could reach a stable state.…”
Section: Irradiation Simulationmentioning
confidence: 99%