The atomic size of each element, described by the ionic radius, is one category of 'material genes' and can faci......

This study investigates the formation process of Ni-Nb-Al metallic glasses. To this end, a long-range n-body potential w......

The structures of Y2Fe17-xCrx are simulated by the ab initio potentials. The site preference of Cr atom in Y2Fe17 is eva......

In this paper, a mathematical relation was found between interatomic Hooke’s force constant and both the bulk modulus a......

用微观相场法结合自由能和原子间作用势研究了Ni0．75Al0．05Fe0．2合金在1000K时效中沉淀前期的预析出相的形成和转变过程；分析了沉淀前......

The phase stability and site preference of the intermetallics LaFe13-xTx (T=Cr, Cu, Ga, Mn, Ni) with NaZn13-type structu......

INTRODUCTIONIn the deyelopment of material science,it 15 desirable that theand elastic eonstants whieh are the imPoaceur......

Nanoparticles have been used widely in various fields, and their size and shape greatly affect the functional properties......

We applied an approach to the development of many-body interatomic potentials for NiZr alloys, gaining an improved accur......

We have recently proposed a nanoscale continuum theory for carbonnanotubes.The theory links continuum analysis with atom......

It is shown that electrons forming simple and multiple covalent bonds may have different contribu-tions to the interatom......

Motivated by the special theory of gradient elasticity (GradEla), a proposal is advanced for extending it to construct g......