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...

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...

The topic of this project belongs to focus area #3 of the NSF solicitation: " Micro/Nanoscale Phenom-enology and Metrology. " Nano-structured materials are extremely attractive for applications requiring high strength and ductility. Two such areas are: (1) nano-layered composites for future aerospace applications demanding high strength-to-weight ratios; and (2) next-generation interconnect and...

background: it has recently been shown that the particle size of materials used for radiation shielding can affect the magnitude of radiation attenuation. over the past years, application of nano-structured materials in radiation shielding has attracted attention world-wide. the purpose of this study was to investigate the shielding properties of the lead-free shields containing micro and nano-...