Size Effect on the Raman Spectra and Electronic Structure of the Glycine-alanine Oligopeptide Chains

A theoretical study on oligopeptide chains of glycine-alanine by density functional theory（DFT） is given in this paper. Raman spectra of the oligopeptide chains are examined. The geometric structures, frontier orbital, energy gap, atomic charge distribution, density of states and chemical activity of the side chain are studied at the B3LYP/6-31G（d） level. Results show that, with the number of residues increasing, vibrations of typical functional groups present Raman frequency shift, and the energy gap is gradually reduced. The HOMO and LUMO focus on the amino and carboxyl at the ends of oligopeptides. It is helpful for oligopeptides to self-assemble into chains. In addition, different residues（glycine or alanine） at the ends of chains result in the even-odd effect of orbital energy in the growth process. The size effects of physical and chemical properties only exist when the oligopeptides are shorter, and the phenomenon disappeared as the chain continues to grow.

Analytic solution for size-dependent behaviors of micro-beam under forced vibration

This paper focuses on the size-dependently mechanical behaviors of a micro-beam under forced vibration.Governing equations of a micro-beam under forced vibration are established by using the modified couple stress theory,Bernoulli-Euler beam theory and D’Alembert’s principle together.A simply supported micro-beam under forced vibration is solved according to the established governing equations and the method of separation of variables.The dimensionless deflection,amplitude mode and period mode are defined to investigate the size-dependently mechanical behaviors of a micro-beam under forced vibration.Results show that the performance of a micro-beams under forced vibration is distinctly size-dependent when the ratio of micro-beam height to material length-scale parameter is small enough.Both frequency ratio and loading location are the important factors that determine the sizedependent performance of a micro-beams under forced vibration.

Nonlinear buckling and postbuckling behavior of cylindrical shear deformable nanoshells subjected to radial compression including surface free energy effects

The objective of the present investigation is to predict the nonlinear buckling and postbuckling characteristics of cylindrical shear deformable nanoshells with and without initial imperfection under hydrostatic pressure load in the presence of surface free energy effects.To this end, Gurtin-Murdoch elasticity theory is implemented into the irst-order shear deformation shell theory to develop a size-dependent shell model which has an excellent capability to take surface free energy effects into account. A linear variation through the shell thickness is assumed for the normal stress component of the bulk to satisfy the equilibrium conditions on the surfaces of nanoshell. On the basis of variational approach and using von Karman-Donnell-type of kinematic nonlinearity, the non-classical governing differential equations are derived. Then a boundary layer theory of shell buckling is employed incorporating the effects of surface free energy in conjunction with nonlinear prebuckling deformations, large delections in the postbuckling domain and initial geometric imperfection. Finally, an eficient solution methodology based on a two-stepped singular perturbation technique is put into use in order to obtain the critical buckling loads and postbuckling equilibrium paths corresponding to various geometric parameters. It is demonstrated that the surface free energy effects cause increases in both the critical buckling pressure and critical end-shortening of a nanoshell made of silicon.