Local Atomic Arrangements and Band Structure of Boron Carbide.
Boron carbide, the simple chemical combination of boron and carbon, is one of the best-known binary ceramic materials. Despite that, a coherent description of its crystal structure and physical properties resembles one of the most challenging problems in materials science. By combining ab initio computational studies, precise crystal structure determination from diffraction experiments, and state-of-the-art high-resolution transmission electron microscopy imaging, this concerted investigation reveals hitherto unknown local structure modifications together with the known structural alterations. The mixture of different local atomic arrangements within the real crystal structure reduces the electron deficiency of the pristine structure CBC+B12 , answering the question about electron precise character of boron carbide and introducing new electronic states within the band gap, which allow a better understanding of physical properties.
Structural models of increasing complexity for icosahedral boron carbide with compositions throughout the single-phase region from first principles
We perform first-principles calculations to investigate the phase stability of boron carbide, concentrating on the recently proposed alternative structural models composed not only of the regularly ...
The micro-mechanical behaviour of artificially cemented sand particles under compression and shear
The mechanical behaviour of cemented sands at macro-scale has been widely studied in the past, while there is still a lack of laboratory test data for the micro-mechanical response. Therefore, a series of uniaxial compression and tangential shear tests on artificially cemented sand particles have been conducted using a microscope to observe their behaviour. First, the consistency of cemented particles with different cementing agents is discussed. Three breakage modes are proposed according to the images taken using a microscope camera. A new parameter named ‘local roundness at contact’ is introduced to emphasise the effect of contact morphology on sample strength. Moreover, the effect of bond thickness on the mechanical response of cemented particles has been investigated. Finally, the shear strength parameters of artificially cemented sand samples have been determined for two different sample diameters.