A full-dimensional Franck-Condon calculation has been applied to the à (1)Au-X̃ 1Σg+ transition in acetylene in the harmonic normal mode basis. Details of the calculation are discussed in Part I of this series. To our knowledge, this is the first full-dimensional Franck-Condon calculation on a tetra-atomic molecule undergoing a linear-to-bent geometry change. In the current work, the vibrational...

In this paper, a displacement-based, variationally consistent, two variable refined theory for shear deformable beams is presented. The beam is assumed to be of linearly elastic, homogeneous, isotropic material and has a uniform rectangular cross-section. In this theory, the beam axial displacement and beam transverse displacement consist of bending components and shearing components. The assum...

The model of the large deflection of fabrics considering the effect of bending hysteresis was established for describing the post-buckling behavior of woven fabrics. The moment-curvature relationship of fabrics obtained by pure bending test was approximated by the Rate-model and the change in the flexural rigidity caused by the hysteresis was incorporated into the analysis. Using a nonlinear FE...

DNA bending is important for the packaging of genetic material, regulation of gene expression and interaction of nucleic acids with proteins. Consequently, it is of considerable interest to quantify the energetic factors that must be overcome to induce bending of DNA, such as base stacking and phosphate-phosphate repulsions. In the present work, the electrostatic contribution of phosphate-phosp...

The great application potential for two-dimensional (2D) membranes (MoS2, WSe2, graphene and so on) aroused much effort to understand their fundamental mechanical properties. The out-of-plane bending rigidity is the key factor that controls the membrane morphology under external fields. Herein we provide an easy method to reconstruct the 3D structures of the folded edges of these 2D membranes o...

This paper derives kinematic admissible bending moment – axial force (M-P) interaction relations for mild steel by considering strain hardening idealisations. Two models for strain hardening – Linear and parabolic have been considered, the parabolic model being closer to the experiments. The interaction relations can predict strains, which is not possible in a rigid, perfectly plastic idealizat...

This thesis documents the development of a computational method for wave induced longitudinal bending in ships. First, there will be a discussion about the importance of longitudinal bending in ship design. The paper will then outline the basic physics at work in the system. It will review the wave forcing computation as well as the response of the vessel. It will then document the progression ...

DNA bending plays an important role in many biological processes, but its molecular and energetic details as a function of base sequence remain to be fully understood. Using a recently developed restraint, we have studied the controlled bending of four different B-DNA oligomers using molecular dynamics simulations. Umbrella sampling with the AMBER program and the recent parmbsc0 force field yie...

During swimming in dogfish sharks, Squalus acanthias, both the intervertebral joints and the vertebral centra undergo significant strain. To investigate this system, unique among vertebrates, we cyclically bent isolated segments of 10 vertebrae and nine joints. For the first time in the biomechanics of fish vertebral columns, we simultaneously characterized non-linear elasticity and viscosity t...