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From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
Published on: March 24, 2018
In the search of fundamental inner bond strength of solid elements
Maziar Sahba Yaghmaee1, Reza Riahifar1
1Ceramic Department, Materials and Energy Research Center, P.O. Box 31787-316, Karaj, Iran.
Abstract:
In order to understand the physics behind the surface properties and nano-scale phenomena, we are motivated first to investigate the inner bond strengths as well as the effect of number of neighboring atoms and their relative distance in addition to space positions (crystallography). Therefore, in order to study the effect of the nature of metallic bond on their physico-chemical properties, we first tried to investigate and introduce a mathematical model for transforming the bulk molar cohesion energy into microscopic bond strengths between atoms. Then an algorithm for estimating the nature of bond type including the materials properties and lattice scale "cutoff" has been proposed. This leads to a new fundamental energy scale free from the crystallography and number of atoms. The results of our model in case of fundamental energy scale of metals not only perfectly describe the inter relation between binding and melting phenomena but also adequately reproduce the bond strength for different bond types with respect to other estimations reported in literatures. The generalized algorithm and calculation methodology introduced here by us are suggested to be used for developing energy scale of bulk crystal materials to explain or predict any particular materials properties related to bond strengths of metallic elements.
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