in this paper, we use molecular dynamics and finite element simulations to determine the mechanical properties of single-crystal metal of silver (ag) with nano-holes. the lattice transition method from 3-dimensions into 2-dimentions in molecular dynamics simulation as well as plane stress model in finite element method, is used to lessen the simulation time consuming. elasticity module reductio...

For the first time, complete single crystal structure study of compound ScCo 2 Si was performed. It belongs to CeGa Al type, Pearson’s symbol tI 10,139, space group I 4/ mmm , lattice parameters a =3.7775(3) c =9.6208(11) Å. The prepared by arc-melting initial elements with purity not less than 99.9 % under argon followed annealing in silica tubes at 800 °C for 350 h. Single crystals structural...

The face-to-face association of (E)-1,2-di(4-pyridyl)ethylene (bpen) molecules into rectangular motifs stabilized for the first time by chalcogen bonding (ChB) interactions is shown to provide photoreactive systems leading cyclobutane formation through single-crystal-to-single-crystal [2+2] photodimerizations. chelating bond donors are based on original aromatic, ortho-substituted bis(selenocya...