(b) Iron has a body-centered cubic (BCC) lattice structure, a1 = ai, a2 = aj, a3 = (i + j + k)a/2, with a lattice constant of ∣ a1 ∣ = ∣ a2 ∣ = ∣ a3 ∣ = 2.8665 Å. (c) Sodium chloride (NaCl) has a face-centered cubic (FCC) lattice structure, a1 = (i ...
Figure 1.1 The cubic lattices: (a) sc, (b) Fcc and (c) Bcc. The cell shown is the conventional cell and a represents the cubic lattice constant. The primitive translation vectors a1,a2 and a3 are also shown. SC The primitive unit cell for the SC lattice is its conventional cell. The...
When compressed at room temperature to 5 GPa, α-Am transforms to the β modification, which has a face-centered cubic (fcc) symmetry, space group Fm3m and lattice constant a = 489 pm. 在常溫下加壓至5 GPa時,α鋂會轉化為β型,具有面心立方對稱結構,空間群為Fm3m,晶格常數為a = 489 pm...
Calculate the lattice constant, a, of the cubic unit cell. If the space lattice is SC, the lattice constant is given by the formula a = [2 x r]. For example, the lattice constant of the SC-crystallized polonium is [2 x 0.167 nm], or 0.334 nm. If the space lattice is FCC, the...
The lattice constant A(晶格常数a) is the same, for the three crystal structures(晶体结构): Body-centered cube(体心立方), Face-centered cube (面心立方)and Hexagonal close-packed(密排六方), the smallest atomic radius(原子半径) is ( )。
Elastic ConstantDFTLattice DynamicsIridiumBrillouin ZoneWe have presently calculated the ground state and high pressure properties of the face-centred-cubic (fcc) phase of solid Iridium using an ab initio pseudopotential density functional theory (DFT). The phonon dispersion is well reproduced at ...
To examine the elastic isotropy property, we performed MD simulations to compute the elastic constant for a single-crystal B2-(CoNi)50(TiZrHf )50 alloy at elevated temperatures (i.e., 300, 600, and 900 K). During the simulation, the system undergoes a finite tensile deformation under ...
Fig. 1.4.(A) A diatomic linear lattice with lattice constant a. The first atom(black sphere)of the crystal is at the origin and the basis atom(shaded)with respect to it is at a distance of (1/4)a. (B) A square lattice with a basis of two atoms: theshaded and black spheresrepres...
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28P-E-8 Lattice constant and bulk modulus of fcc metals by GGA-FPKKR-Green's function method Asato M. , Hoshino T. , Asada T. , Zeller R. , Dederichs P.H. Meeting abstracts of the Physical Society of Japan 52(1-2), 110, 1997-03-17 展开 DOI: 10.11316/jpsgaiyo.52.1.2.0_110...