First principles studies on the ground state structure, binding energy, spin multiplicity, and the noncollinearity of local spin moments in Fe(n) and Fe(n) (-) clusters and their oxides, viz., Fe(n)O(2) and Fe(n)O(2) (-) have been carried out within a density functional formalism. The ground states of Fe(n) and Fe(n) (-) clusters have collinear spins with a magnetic moment of around 3.0 micro(B...

Accurate representation of the interactions of water molecules with charges is essential for correct description of biomolecules and their interactions and, hence, is a primary concern in the design of classical force fields. This task is made even more challenging by the fact that the charge distribution of water molecules in liquid is significantly altered by the local environment. To underst...

The Isogeometric Analysis (IA) is utilized for structural topology optimization  considering minimization of weight and local stress constraints. For this purpose, material density of the structure  is  assumed  as  a  continuous  function  throughout  the  design  domain  and approximated using the Non-Uniform Rational B-Spline (NURBS) basis functions. Control points of the density surface are...

Motion generation gives the joint positions, speeds and accelerations of manipulators, at every moment. ?Ve assume that the motion are polynomial trajectories, that ensure joint acceleration continuity. Usual kinematical constraints, obtained with approximations, are not always suflcient, then we will focus on actuators constraints on voltages and currents.