3.04 Theory of Superhard Materials
نویسندگان
چکیده
Artem R. Oganov, Department of Geosciences, Center for Materials by Design, Institute for Advanced Computational Science, Stony Brook University, Stony Brook, NY, USA; Moscow Institute of Physics and Technology, Dolgoprudny city, Moscow Region, Russian Federation; Northwestern Polytechnical University, Xi’an, China Andriy O. Lyakhov and Qiang Zhu, Department of Geosciences, Stony Brook University, Stony Brook, NY, USA
منابع مشابه
Electronic, dynamical, and thermal properties of ultra-incompressible superhard rhenium diboride: A combined first-principles and neutron scattering study
Rhenium diboride is a recently recognized ultra-incompressible superhard material. Here we report the electronic (e), phonon (p), e-p coupling, and thermal properties of ReB2 from first-principles densityfunctional theory calculations and neutron scattering measurements. Our calculated elastic constants (c11 =641 GPa, c12=159 GPa, c13=128 GPa, c33=1037 GPa, and c44=271 GPa), bulk modulus (B≈350...
متن کاملPolytypism in superhard transition-metal triborides
The quest of novel compounds with special structures and unusual functionalities continues to be a central challenge to modern materials science. Even though their exact structures have puzzled scientists for decades, superhard transition-metal borides (TMBs) have long been believed to exist only in simple crystal structures. Here, we report on a polytypic phenomenon in superhard WB3 and MoB3 w...
متن کاملFriedel oscillations are limiting the strength of superhard nanocomposites and heterostructures.
To obtain a deeper understanding of the mechanism of plastic deformation and failure in superhard nanocomposites and heterostructures we studied, by means of the ab initio density functional theory, the stress-strain response and the change of the electronic structure during tensile and shear deformation of a prototype interfacial systems consisting of 1 monolayer SiN sandwiched between a few n...
متن کاملA Theoretical Analysis on Bone Drilling Temperature Field of Superhard Drill
To overcome strong drilling force and over high temperature during orthopedic surgery, the four medical drills with different geometrical shapes by using superhard materials were designed. The bone drilling temperature field of superhard drill was theoretical analyzed. Results showed that brazed step drill has the most ideal drilling temperature. It controls the maximum bone temperature below 4...
متن کاملSynthesis of New Superhard Materials and Their Application to Cutting Tools
Two major areas of effort are encompassed: *• Synthesis of Superhard Mataj^als: The process of Activated Reactive Evaporation is used to synthesize superhard materials like carbides, oxides, nitrides, ultrafine grain cermets, ine deposits are characterized by hardness microstructure and lattice parameter measurements. The synthesis and characterization of various carbides in the Ta-C and W-C sy...
متن کامل