A method has been proposed for developing structure-property relationships of nano-structured materials. This method serves as a link between computational chemistry and solid mechanics by substituting discrete molecular structures with equivalent-continuum models. It has been shown that this substitution may be accomplished by equating the molecular potential energy of a nano-structured materi...

The remanence of an isotropic nanocrystalline exchange-coupled composite system (comprising hard and soft magnetic phases) is investigated analytically within a simple (onedimensional) micromagnetic model, in which only exchange and anisotropy energies are considered. For a soft grain with size much less than its own Bloch wall width, our analysis shows that the magnetization distribution in th...

The many desirable material properties of the novel graphene films, including ultra-high mobility, high saturation velocity, high current carrying capability, excellent thermal conductivity, ultra-thin geometry, and the feature to integrate with traditional CMOS processes, offer the potential for graphene-based electronics. Since the bandgap of semiconducting GNRs is inversely proportional to t...

The progress of full-field electromagnetic tools coupled to increasingly powerful computing hardware offer the possibility of modelling accurately micro/nano-structured fibres. Together with the advances in fabrication methods, this opens the door to the realization of optimized designs with growing complexity. Three examples of simulations are presented here to illustrate the application of ge...

Theoretical analysis and Computer simulations have proven to be cost-effective and powerful tools in scientific studies of materials, particularly at nano-scale where synthesis of nano-structures, interpretation of their observed character and exploration of new structures are not always straight forward. We present here fundamental principles of techniques used today for computational simulati...

photocatalytic degradation of toxic organic compound in water, soil and air by semiconductor catalysts such as tio2 and zno have received much attention over the last two decades. however, the low quantum yield, easy agglomeration and difficult post-separation of these inorganic catalysts limit their application for large-scale applications. metal-organic frameworks (mofs) are the latest class ...

due to the high density and the low consumption power in the digital integrated circuits, mostly technology of cmos is used. during the past times, the metal oxide silicon field effect transistors (mosfet) had been used for the design and implementation of the digital integrated circuits because they are compact and also they have the less consumption power and delay to the other transistors. b...