2.1.2 The atomic structure of iron The iron atom, which is given the symbol Fe, has an atomic weight of 56 which compares with aluminium, Al, at 27, lead, Pb, at 207 and carbon, C, at 12. In iron at room temperature the atoms are arranged in a regular pattern, or lattice, whic...
These clusters prefer to take regular planar shapes with morphology changes by local atomic shuffling, as suggested by the early hypothesis of solid-solid transformation. Our observations differ from observations from earlier experimental study and theoretical model, such as icosahedron, decahedron or ...
X-ray absorption near-edge structure (XANES) and Fourier transforms (FTs) of EXAFS spectra provide insights into the state of Fe even at low fractions as aberration-corrected transmission electron microscopy (Fig.S8) cannot distinguish Fe and Zn atoms due to approximate atomic number, and XPS is...
, 1994). Experimental data provide support for this proposed three-dimensional model of Fur. Proteolytic cleavage of Fur yields two functional domains (Coy and Neilands, 1991), and circular dichroism spectra show that the protein is mostly α-helical with some β-structure (Saito et al., 1991...
were meshed by 6 × 6 × 6, 8 × 8 × 8 and 6 × 6 × 1 for the 96-atom (and 128-atom), 54-atom bulk models and the interface model, respectively. For all systems, atomic relaxation was allowed until the forces were less than 0.01 eV Å−...
Atomic radius empirical: 126 pm Covalent radius Low spin: 132±3 pm High spin: 152±6 pm Van der Waals radius 194 [1] pm Spectral lines of iron Other properties Natural occurrence primordial Crystal structure body-centered cubic (bcc) a=286.65 pm Crystal structure face-centered cubic...
An atomistic model for the formation of annealing twins is proposed. According to this model annealing twins are formed by a two dimensional nucleation pro... H Gleiter - 《Acta Metallurgica》 被引量: 229发表: 1969年 Iron-ion—implantation effects in MgO crystals The effect of the insulator-...
A theoretical model for calculating E loc is developed. Density functional theory was used to construct a modified embedded atom (MEAM) potential for iron-technetium. Materials properties determined for the iron-technetium system were in good agreement with the literature. To explore the relationship ...
And the structure factor phase was searched by PHASER using molecular replacement method (MR) with the model predicted by AlphaFold2 as a search template63,64,65. Autobuild was used to complete the initial model. Coot and Phenix.refine were further used to refine the atomic coordinate with ...
Fe-bearing MgO [(Mg1−xFex)O] is considered a major constituent of terrestrial exoplanets. Crystallizing in the B1 structure in the Earth’s lower mantle, (Mg1−xFex)O undergoes a high-spin (S = 2) to low-spin (S = 0) transition at ∼45