Surface atomic packing fraction as a figure of merit for the structural transition and the bulk-to-nano transformation of spherical FCC and BCC nanosolids - ScienceDirectStructural transitionBulk-to-nano transformationShape factorNanoparticlesWe report on the development of a simple and efficient method...
We report on the development of a simple and efficient method to predict the structural transition and the bulk-to-nano transformation of spherical FCC and BCC solid nanoparticles using the surface atomic packing fraction (). For both structures, 's are maxima at radii equal to the nearest neig...
As the proportion of surface atoms is reduced, most of the atoms in these large particles can hold their HCP packing patterns in a larger temperature range. Because the HCP–BCC transition requires more energy, the slope value is > 1.5 for nanoparticles with diameters > 3 nm. Fig....
For example, the investigation on plastic deformation of an MG embedded with approximately 37% of a bcc phase by molecular dynamics has revealed that the nanocrystalline/amorphous interfaces will serve as SB precursor87, which stems from the high potential energy of atoms at the interface and ...
FIG. 1.Typical metal crystal structures (unit cells). (A) Face-centered cubic (FCC). (B) Full size atoms in FCC. (C) Hexagonal close packed (HCP). (D) Body-centered cubic (BCC). Show more View chapterExplore book Epitaxial growth of thin films and quantum structures of II–VI visib...
The mixed cluster model was implemented in PDFgui using the spherical shape factor option. The cluster diameter was used as a fitting parameter, producing the best fits in the range of 5–20 Å. The BCC and FCC cells are randomly populated by all six elements in the alloy, with lattice ...
Calculate the radius of iridium at, given that Ir has an FCC crystal structure, a density of 22.4 g/cm{eq}^3 {/eq}, and an atomic weight of 192.2 g/mol. Density: The term density can be evaluated as the fraction of...
Shape factorNanoparticlesWe report on the development of a simple and efficient method to predict the structural transition and the bulk-to-nano transformation of spherical FCC and BCC solid nanoparticles using the surface atomic packing fraction (g(s)). For both structures, g(s)'s are maxima ...
packing factordilatancymeltingcrystallizationglass transitionThe dependence of the first coordination number k n on the packing factor k y is obtained for four cubic structures: fcc, bcc, simple cubic, and diamond. The k n ( k y ) dependence is described by a third-degree polynomial k n = ...
preformed primary grains, while the formation of smaller grains is associated with dynamic recrystallization. In metals with low crystal symmetry (like in hcp and bcc), the twin deformation mechanism occurs in the hcp α-Mg matrix during hot rolling due to low number of slip systems [31,33]....