Structure Prediction and Mechanical Properties of Silicon Hexaboride on Ab Initio Level.

Silicon borides represent very appealing industrial materials for research owing to their remarkable features, and, together with other boride and carbide-based materials, have very wide applications. Various Si-B phases have been investigated in the past, however a limited number of studies have been done on the pristine SiB6 compound. Structure prediction using a data mining ab initio approach has been performed in pure silicon hexaboride. Several novel structures, for which there are no previous experimental or theoretical data, have been discovered. Each of the structure candidates were locally optimized on the DFT level, employing the LDA-PZ and the GGA-PBE functional. Mechanical and elastic properties for each of the predicted and experimentally observed modifications have been investigated in great detail. In particular, the ductility/brittleness relationship, the character of the bonding, Young's modulus E, bulk modulus B, and shear modulus K, including anisotropy, have been calculated and analyzed.

Preparation and Properties of Layered SiC-Graphene Composites for EDM.

Three and five-layered silicon carbide-based composites containing 0, 5, and 15 wt.% of graphene nanoplatelets (GNPs) were prepared with the aim to obtain a sufficiently high electrical conductivity in the surface layer suitable for electric discharge machining (EDM). The layer sequence in the asymmetric three-layered composites was SiC/SiC-5GNPs/SiC-15GNPs, while in the symmetric five-layered composite, the order of layers was SiC-15GNPs/SiC-5GNPs/SiC/SiC-5GNPs/SiC-15GNPs. The layered samples were prepared by rapid hot-pressing (RHP) applying various pressures, and it was shown that for the preparation of dense 3- or 5-layered SiC/GNPs composites, at least 30 MPa of the applied load was required during sintering. The electrical conductivity of 3-layered and 5-layered composites increased significantly with increasing sintering pressure when measured on the SiC surface layer containing 15 wt.% of GNPs. The increasing GNPs content had a positive influence on the electrical conductivity of individual layers, while their instrumented hardness and elastic modulus decreased. The scratch tests confirmed that the materials consisted of well-defined layers with straight interfaces without any delamination, which suggests good adhesion between the individual layers.

Toughened and machinable glass matrix composites reinforced with graphene and graphene-oxide nano platelets.

The processing conditions for preparing well dispersed silica-graphene nanoplatelets and silica-graphene oxide nanoplatelets (GONP) composites were optimized using powder and colloidal processing routes. Fully dense silica-GONP composites with up to 2.5 vol% loading were consolidated using spark plasma sintering. The GONP aligned perpendicularly to the applied pressure during sintering. The fracture toughness of the composites increased linearly with increasing concentration of GONP and reached a value of ∼0.9 MPa m1/2 for 2.5 vol% loading. Various toughening mechanisms including GONP necking, GONP pull-out, crack bridging, crack deflection and crack branching were observed. GONP decreased the hardness and brittleness index (BI) of the composites by ∼30 and ∼50% respectively. The decrease in BI makes silica-GONP composites machinable compared to pure silica. When compared to silica-Carbon nanotube composites, silica-GONP composites show better process-ability and enhanced mechanical properties.