K. Williams1, T. Cagin1,2
The International Conference on Computational & Experimental Engineering and Sciences, Vol.15, No.4, pp. 153-160, 2010, DOI:10.3970/icces.2010.015.153
Abstract Designing magnetic shape memory materials with practicable engineering applications requires a thorough understanding of their electronic, magnetic, and mechanical properties. Experimental and computational studies on such materials provide differing perspectives on the same problems, with theoretical approaches offering fundamental insight into complex experimental phenomena. Many recent computational approaches have focused on first-principles calculations, all of which have been successful in reproducing ground-state structures and properties such as lattice parameters, magnetic moments, electronic density of states, and phonon dispersion curves. With all of these successes, however, such methods fail to include the effects of finite temperatures,… More >
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