scholarly journals Molecular dynamics study of the influence of uniaxial deformation on the migration velocity of tilt boundaries in nickel

2021 ◽  
Vol 2131 (4) ◽  
pp. 042052
Author(s):  
G M Poletaev ◽  
D I Ziuzin ◽  
D V Novoselova ◽  
R Y Rakitin

Abstract The molecular dynamics method was used to study the influence of elastic uniaxial deformation on the migration velocity of tilt boundaries with misorientation axes [100] and [111] in nickel. The dependences of the migration velocity at a temperature of 1600 K on the misorientation angle were obtained. It is shown that the high-angle [100] and [111] tilt boundaries migrate at approximately the same velocity, while the low-angle [111] boundaries migrate approximately twice as fast as the [100] boundaries. The obtained dependences of the migration velocity of the boundaries on the value of uniaxial deformation in almost all cases turned out to be nonmonotonic and had a maximum at a tension value of about 1%. With a further increase in tension, migration slowed down, which is most likely explained by a decrease in the surface tension of the boundaries and, accordingly, in the driving force due to the finite sorption capacity of grain boundaries with respect to the free volume. Under elastic compression, in most cases, a monotonic decrease in the migration velocity was observed, which is due to a decrease in free space during compression and a decrease in the mobility of atoms at the boundary.

2021 ◽  
Vol 63 (5) ◽  
pp. 582
Author(s):  
Г.М. Полетаев ◽  
Р.Ю. Ракитин

The influence of vacancy concentration on the migration rate of high-angle tilt boundaries with misorientation axes <111> and <100> in nickel was studied by the method of molecular dynamics. It is shown that the dependence of the migration rate on the concentration of vacancies introduced at the initial stage of modeling has a maximum near 1%. The decrease in the migration rate with a further increase in the free volume is mainly due to the deceleration of the boundary by low-mobile vacancy clusters, which at high vacancy concentrations the boundary is no longer capable of sorbing. The second reason for the decrease in the migration rate with an increase in the concentration of vacancies above 1% is a decrease in the surface tension of grain boundaries and, accordingly, the driving force of their migration due to the finite sorption capacity of the boundaries with respect to the excess free volume.


2014 ◽  
Vol 10 ◽  
pp. 73-77
Author(s):  
V.L. Malyshev ◽  
D.F. Maryin ◽  
E.F. Moiseeva ◽  
N.A. Gumerov ◽  
I.Sh. Akhatov

The results of the calculation of surface tension by the molecular dynamics method for the liquid-gas system based on the example of argon are presented in the article. The method was verified by comparing numerical results with experimental data. The results on the determination of the optimal trimming radius for the interaction potential are presented.


Author(s):  
Г.М. Полетаев ◽  
Р.Ю. Ракитин

The effect of vacancy concentration on the migration rate of high-angle tilt boundaries with misorientation axes <111> and <100> in nickel was studied by the method of molecular dynamics. It is shown that the dependence of the migration rate of grain boundaries on the vacancy concentration is nonmonotonic and has a maximum at a concentration of vacancies introduced at the initial stage of about 1%. With a further increase in concentration, especially above 4%, the migration rate of the considered boundaries decreased as a result of deceleration of boundaries by low-mobility vacancy clusters attached to it, which the boundary could no longer sorb, as in the case of relatively small clusters.


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