Because the number of slip systems that can be activated on the substrate of hexagonal close packed crystal structure is limited, and its ductility and formability are poor. [11]. With the in-depth study of precipitation strengthening and fine grain strengthening of magnesium alloys, great ...
For this, the hcp structure has been divided into several sublattices and used to generate ordered structures with three types of atoms. Nine ground-state ordered structures have been identified on the basis of maximum or minimum number of AB, BC and CA bonds. Complete crystallographic details ...
hep structureelastic propertyelectron theoryIn Ref. [1], a comprehensive type of the interaction potential function among atoms in solids has been proposed and its application to the research into elastic properties of alkali and alkaline earth metals has been made. Then, using this function, we ...
Figure 1 shows the evolution snapshots from bcc to hcp structure during the shock process. Figures 1(a)–(e) show the phase transition mechanism. Here, the green and blue spheres denote the upper and lower layers of atoms, and the red and yellow spheres mean that the atomic displacements ...
Also, a correlation has been found between the magnitude of the threshold displacement energy and the maximum number of atoms temporarily displaced into interstitial positions during a cascade. 展开 关键词: DISPLACEMENT CASCADES DISPLACEMENT THRESHOLD ENERGY TITANIUM HEXAGONAL CLOSE-PACKED REPLACEMENT ...
Binary solid-solution alloys generally adopt one of three principal crystal lattices—body-centred cubic (bcc), hexagonal close-packed (hcp) or face-centred cubic (fcc) structures—in which the structure is dominated by constituent elements and compositi
The structure factor revealed that Dand Doriginate from the number of total atomic layers and the imbalance of the number of A, B and C atomic layers, respectively. Therefore, the intensity ratio of Dto D, corrected by Lorentz and atomic scattering factors (corrected I/I), is defined as ...
While the inclusion of a vacuum layer in the simulation cell leads to the decrease in γGB of two GBs, it results in the increase of γGB for six others. Both simulation cell setups provide the ground state energy of a canonical ensemble where the number of atoms, temperature and volume...
The structure and crystal size are controlled by adjusting the composition of mix- tures of for CO the Ru precursor and reducing agent6. Moreover, the catalytic activity oxidation, is dependent on the fcc and hcp structure and size6. For of Ru NPs, NPs larger stuhpapno3r tnemd ,otnh...
of hcp Ti. Molecular dynamics simulations are performed using two interatomic potentials (Ti_EAM and Ti_MEAM). The eight DNVMs modeled with Ti_EAM potential are found to be unstable and dissipate their vibrational energy very rapidly. The usage of Ti_MEAM interatomic potential allows to excite ...