The double species model has been employed to calculate dependence of the grainboundary cohesion on the Mg bulk concentration,for the Ni3Al-x at.%Mg(100%Ni/100%Ni)[001]/∑5(210)/36.87°symmetric tilt grain boundary,at...
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The double species model has been employed to calculate dependence of the grainboundary cohesion on the Mg bulk concentration,for the Ni3Al-x at.%Mg(100%Ni/100%Ni)[001]/∑5(210)/36.87°symmetric tilt grain boundary,at the *** show thatwhen x(the Mg bulk concentration)increases from 0.1 to 0.5,the Mg enrichment increases,boththe Ni enrichment and the Al depletion maximizes at x=*** calculations also show the bestcohesion of the grain boundary at x=0.2.
Based on the Monte Carlo simulation conjoined with the embedded atom method (EAM) potentials, the double species model is established to study relaxation of impure NiA1 grain boundaries. For the NiAl-x at. % Zr (100%N...
Based on the Monte Carlo simulation conjoined with the embedded atom method (EAM) potentials, the double species model is established to study relaxation of impure NiA1 grain boundaries. For the NiAl-x at. % Zr (100%Ni\100%Ni)[001]/∑5(210)/36.87°grain boundary, at the equilibrium, the calculations show that when x (the Zr bulk concentration) increases from 0.1 to 1.0, the Zr enrichment increases, both the Ni enrichment and the AI depletion maximizes at x=0.Y The calculations also show the best cohesion of the grain boundary at x=0.3.
Channeling phenomena of He,Ne,Ar and Kr ions at energy(200–5000 eV)in single-wall carbon nanotubes(SWCNTs)are investigated by molecular dynamics simulation with analytical *** critical angles for the particles to be ...
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Channeling phenomena of He,Ne,Ar and Kr ions at energy(200–5000 eV)in single-wall carbon nanotubes(SWCNTs)are investigated by molecular dynamics simulation with analytical *** critical angles for the particles to be channeled in an SWCNT are *** the incident energy range of 200–5000 eV,it is found that the ion energy dependence of the critical angle obeys an improved Lindhard equation which is closely related to the ratio of nuclear charge number to atomic mass Z/*** critical angle for different types of ions channeling in SWCNTs is determined by both the atomic nuclear charge and mass.
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