Papers by Keyword: BCC Structure

Abstract: A simplified approach to predicting diffusion coefficients directly from first-principles is proposed. In this approach, the atomic jump frequencies are calculated through the Eyring’s reaction rate theory while the temperature dependence of diffusion coefficients are accounted using phonon theory within the quasi-harmonic approximation. The procedure can be applied to both self-diffusion and impurity diffusion coefficients and different crystal systems. Applications to self-diffusion coefficients in fcc Cu, bcc Mo, hcp Mg and impurity diffusion coefficients of Li in fcc Al, W in bcc Mo and Cd in hcp Mg show agreement with experimental measurements.

Abstract: Novel Mg-Co binary alloys with BCC (body-centered cubic) structure have been successfully synthesized by means of mechanical alloying technique. The formation of BCC structure was confirmed by X-ray diffraction and transmission electron microscopy. Mg-Co alloys were found in the range of Co concentration between 37 and 80 atomic %. All the Mg-Co alloys synthesized absorbed hydrogen below 373K. The maximum hydrogen capacity of these alloys reaches 2.7 mass %. However, desorption of hydrogen at 373 K has not been observed yet. Mg- Co-X (X = B and Ni) ternary alloys with BCC structure have also been synthesized. The lattice parameter of both alloys is lower than that of Mg-Co binary alloys, meanwhile the maximum hydrogen content of both alloys also decreased.