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 ...

A systematic study of the temperature dependence of the shapes and pairing gaps of some isotopes in the rare-earth region is made in the relativistic Hartree-BCS theory. Thermal response to these nuclei is always found to lead to a phase transition from the superfluid to the normal phase at a temperature T∆ ∼ 0.4 − 0.8 MeV and a shape transition from prolate to spherical shapes at Tc ∼ 1.0−2.5 ...

kinematic synthesis of a trailing six-member mechanism has been carried out to achieve five precision points of an automotive steering mechanism. the inner wheel can be rotated up to forty five degrees with fair accuracy. results show that the divergent end behavior of ackermann steering mechanism has been overcome by the present mechanism. the work is similar to earlier work by the present aut...

the present paper compares full kinetics mechanisms in numerical modelling of porous radiant burners (prb), with their reduced forms. the two most frequently used mechanisms of methane combustion (gri3.0 and miller) were selected and their effects were examined on temperature, species concentration, burning speed, and pollutant emission. while the findings of numerical simulation of prb show fi...

in this paper, dynamical behavior of the delay mechanism of a special projectile controller is studied, using 3d finite element simulation. the controller considered here is among of high-acceleration mechanical controllers. due to high linear and angular accelerations of the projectile and also explosion risk, experimental investigation is very limited and almost impossible. so, numerical simu...

acetic acid has been applied as an efficient catalyst and a green solvent for the two–component condensation reaction consisting of benzaldehyde, 2-amino-benzamide. the advantages of this protocol was excellent yield, short reaction time, mild reaction conditions, higher availability, low costs, more environmentally friendly, lack of need for column chromatography and simple work-up procedure. ...

the reaction of ch₃nh₂ with o₂ on the singlet potential energy surfaces (pes) was carried out using the b3lyp, ccsd(t) and g3b3 theoretical approaches along with 6-311++g(3df,3pd) basis set. the suggested mechanism for the title reaction consists of one pre-reactive complex. from the pre-reactive complex, nine types of products, ch2nh+h2o2, ch3nh+ooh, nh2cho+h2o, ch2nho+h2o, nh3+hcooh, ch2nh+h2...