Full size table Fig. 1: Calculation of the physical properties in molecular dynamics simulation. a Illustration of the calculation of lattice parameters and mechanical properties of the metals using a cubic 6 × 6 × 6 supercell of Rh (side length 2.282 nm, 864 atoms). The dire...
Full size image In order to reveal the effect of crystal phase on the electromagnetic eigenmodes of Au NRs, density functional theory (DFT) computation (Supplementary Fig.10) and three-dimensional electromagnetic full-wave EELS simulation were used to calculate the EELS spectra (see “Methods” fo...
Table 2. Portion of Ni existing as NiO in the Ni-loaded FCC catalysts. 3.3. Fourier-Transform Infrared Spectroscopy (FTIR) The FTIR spectra of representative Ni-impregnated samples, i.e., Ni/Al2O3, Ni/SiO2 and Ni/USY, are shown in Figure 10; the corresponding spectra of the full mid...
Consequently, researchers have used the lumping technique to group components in the complex reaction mixture into lumps that act as individual components that can react to form or be formed by other lumps in a simplified reaction network. In this way, the full reaction network is not created, ...
Found in Chemistry Courses Crystal Courses Lattices Courses Overview This course will go over the basics of solid state materials, primarily crystalline solids and describe features and properties of certain specific materials. Some of the basic topics included will be thermo...
Download: Download full-size image Fig. 1. Riser reactor: (a) geometry, (b) boundary conditions. Inside the riser, fluid flow is three-dimensional and multiphase. In this work, for simplicity, the problem is formulated as a two-dimensional well-mixed single phase flow, since the main objec...
[ 3 1 ] N A S L A I N R , G U E T T E A , REBILLAT F, et al. Boron-bearing species inceramic matrix composites for long-term aerospace applications[J]. Journal of Solid State Chemistry, 2004, 177(2): 449...
An ancient diamond found in Botswana contains a never- before- seen mineral that came from deep inside Earth. The mineral — named davemaoite — provides a unique window into deep- Earth chemistry. Originally dug up in...
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