This paper describes various components of the macromolecular crystallographic refinement program REFMAC5, which is distributed as part of the CCP4 suite. REFMAC5 utilizes different likelihood functions depending on the diffraction data employed (amplitudes or intensities), the presence of twinning and the availability of SAD/SIRAS experimental diffraction data. To ensure chemical and structura...

Response of a transversely isotropic 3-D half-space subjected to a surface time-harmonic excitation is presented in analytical form. The derivation of the fundamental solutions expressed in terms of displacements is based on the prefect series of displacement potential functions that have been obtained in the companion paper by the authors. First the governing equations are uncoupled in the cyl...

The present paper is devoted to the determination of displacement, stresses and temperature from three dimensional anisotropic half spaces due to presence of heat source. The normal mode analysis technique has been used to the basic equations of motion and generalized heat conduction equation proposed by Green-Naghdi model-II [1]. The resulting equation are written in the form of a vector –matr...

Displacement finite element models of various beam theories have been developed traditionally using conventional finite element basis functions (i.e., cubic Hermite, equi-spaced Lagrange interpolation functions, or spectral/hp Legendre functions). Various finite element models of beams differ from each other in the choice of the interpolation functions used for the transverse deflection w, tota...

This paper presents mathematical derivation of enrichment functions in the extended finite element method (XFEM) for numerical modelling of strong and weak discontinuities. The proposed approach consists in combining the level set method with characteristic functions as well as domain decomposition and reproduction technique. We start with the simple case of a triangular linear element cut by o...

The present work is aimed at analyzing the thermoelastic disturbances in a circular plate of finite thickness and infinite extent subjected to constant initial temperature and axisymmetric heat supply. Integral transform technique is used. Analytic solutions for temperature, displacement and stresses are derived within the context of unified system of equations in generalized thermoelasticity i...

We propose a formulation capable of measuring the complexity of kinematic chains at the conceptual stage in robot design. First, the complexity of the three basic lower kinematic pairs, the revolute, the prismatic and the cylindrical pairs, is proposed. Then, a formulation of the complexity of kinematic chains is introduced. Next, the complexity of the basic displacement subgroups generated by ...