Sentence examples for the atomic configuration from inspiring English sources

For the slab with N atoms at the atomic configuration R i, the surface energy per 1 × 1 surface cell, E surf n × m, can be calculated from the total energy E tot N, R i of the slab subtracted by N times the bulk diamond energy μ per atom.

These calculations indicate that the energetics of the structure are not very sensitive to the atomic configuration of the Ti Hf/Zr planes, thus significant configurational disorder due to entropic effects can be envisaged at high temperatures.

When the temperature is lowered below Tg, the response time for molecular rearrangement becomes much larger than experimentally accessible times, so that liquidlike mobility (Figure 1, right) disappears and the atomic configuration becomes frozen into a set of fixed positions to which the atoms are tied (Figures 1, left, and 2B).

Structural effects related to the atomic configuration of the surface are finally taken into consideration.

Only by knowing composition and thickness of the sample is it possible to determine the atomic configuration within each column.

The atomic configuration of the reaction products was controlled by the reaction probabilities and initial molecular structures.

(b) The atomic configurations after first dimer addition, N=2.

The atomic configurations for Cu were generated first principles using the quantum-espresso package35.

In the case of three dimensions, we will compare the forced tilings to the atomic configurations of real materials.

The atomic configurations and lattice spacings of the three different orientations of SRO hkl) films investigated in this study are indicated in Fig. 1d f.

The atomic configurations for the first dimer addition to the (6,6) and (9,0) CNTs are shown in Fig. 3b. Figure 3c shows the concentrations of different site types Z, A and K (kink)—as a function of χ38,39,40.