Dynamics of dislocation loops in radiation-damaged Fe-10Cr crystallites

KP Zolnikov and AV Korchuganov and DS Kryzhevich, XXXIII INTERNATIONAL CONFERENCE ON EQUATIONS OF STATE FOR MATTER, 1147, 012084 (2019).

DOI: 10.1088/1742-6596/1147/1/012084

Molecular-dynamics study of the mobility of dislocation loops formed at irradiation of two surfaces with different orientations of Fe-10Cr crystallite is carried out. The simulated crystallite had the form of a cube. In two directions, periodic boundary conditions were used, in the third direction, one of the faces was simulated as a free surface, and on the opposite face the atoms were fixed. The temperature of the simulated crystallite was 300 K. Interatomic interactions were described on the basis of the embedded atom method. It is shown that the mobility of vacancy loops for each of the free surfaces depends on their size, the Burgers vector and the distance from the free surface. Loops of large sizes in subsurface layer almost do not reach the free surface. Exceptions are loops of short length 80-110 angstrom. The mobility of the 1/2 < 111 > dislocations is greater than the mobility the < 100 > dislocations at 300 K of crystallite. With an increase in temperature to 600 K, the < 100 > dislocations begin to escape to the (110) free surface more intensively, and the mobility of the < 111 > dislocations decreases substantially.

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