In recent computer simulations of a simple monatomic system interacting via the Dzugutov pair potential, freezing of the fluid into an equilibrium dodecagonal quasicrystal has been reported [M. Dzugutov, Phys. Rev. Lett. 70, 2924 (1993)]. Here, using a combination of molecular dynamics simulation and thermodynamic perturbation theory, we conduct a detailed analysis of the relative stabilities o...

the synthesis of nb doped batio3 has been investigated under microwave-hydrothermal (mh) conditions in the temperature of 150°c for only 2 h using c16h36o4ti, bah2o2.8h2o and nbcl5 as ba, ti and  nb sources, respectively.  typical experiments performed on mh processing have not yet reported for nb doped batio3.  in the mh process, the formation of high purity nano tetragonal nb-batio3 was stron...

In this research, a response surface methodology (RSM) was used to investigate the effects of independent parameters (pH, contact time, temperature, adsorbent dosage, and initial concentration of pollutant), their simultaneous interactions, and quadratic effects on crystal violet adsorption onto two starch based materials in the form of batch experiments. The characterizing results indicated th...

introduction nowadays, due to drug abuse the world community has suffered  considerable  losses,  resulting  from productivity loss;  transmission  of  infectious  diseases; physical,  mental,  social  and  family  problems  and disabilities; increased crime rates; the need for providing health care  practices;  threatened  personal  safety;  and decreased life quality.   crack, a cheap, highly...

Microwave irradiation is used in the synthesis of four tricyclic chromanones 11-14. The chromanone 14 and 12 are selectively formed thermally and under microwave in the presence of polyphosphoric acid (PPA) from the same dicarboxylic acid 9, respectively. The crystal structures of the two diacids are also reported. The corresponding ortho and meta isomers of diacids crystallize in the space...

Besides experimental methods, numerical simulations bring benefits and great opportunities to characterize and predict mechanical behaviors of materials especially at nanoscale. In this study, a nano-single crystal aluminum (Al) as a typical face centered cubic (FCC) metal was modeled based on molecular dynamics (MD) method and by applying tensile and compressive strain loadings its mechanical ...