Abstract: Peridynamics is a new modeling concept of non-local interactions for solid structures. The formulations of Peridynamic (PD) theory are based on integral equations rather than differential equations. Through, undefined equations of associated problems are avoided. PD theory might be defined as continuum version of molecular dynamics. The medium is usually modeled with mass particles bonded together. Particles interact with each other directly across finite distances through central forces named as bonds. The main assumption of this theory is that the body is composed of material points which interact with other material points within a finite distance. Although, PD theory developed for discontinuities, it gives good results for structures which have no discontinuities. In this paper, displacement control of the isotropic plate under the effect of tensile and bending loading has been investigated by means of PD theory. A MATLAB code is generated to create PD bonds and corresponding surface correction factors. Using generated MATLAB code the geometry of the specimen is generated, and the code is implemented in Finite Element Software. The results obtained from non-local continuum theory are compared with the Finite Element Analysis results and analytical solution. The results show good agreement.
Abstract: Graphene, a single-atom sheet, has been considered as
the most promising material for making future nanoelectromechanical
systems as well as purely electrical switching with graphene
transistors. Graphene-based devices have advantages in scaled-up
device fabrication due to the recent progress in large area graphene
growth and lithographic patterning of graphene nanostructures. Here
we investigated its mechanical responses of circular graphene
nanoflake under the nanoindentation using classical molecular
dynamics simulations. A correlation between the load and the
indentation depth was constructed. The nanoindented force in this
work was applied to the center point of the circular graphene nanoflake
and then, the resonance frequency could be tuned by a nanoindented
depth. We found the hardening or the softening of the graphene
nanoflake during its nanoindented-deflections, and such properties
were recognized by the shift of the resonance frequency. The
calculated mechanical parameters in the force-vs-deflection plot were
in good agreement with previous experimental and theoretical works.
This proposed schematics can detect the pressure via the deflection
change or/and the resonance frequency shift, and also have great
potential for versatile applications in nanoelectromechanical systems.
Abstract: We propose a new alternative method for imposing
fluid-solid boundary conditions in simulations of Multiparticle
Collision Dynamics. Our method is based on the introduction of
an explicit potential force acting between the fluid particles and a
surface representing a solid boundary. We show that our method can
be used in simulations of plane Poiseuille flows. Important quantities
characterizing the flow and the fluid-solid interaction like the slip
coefficient at the solid boundary and the effective viscosity of the
fluid, are measured in terms of the set of independent parameters
defining the numerical implementation. We find that our method can
be used to simulate the correct hydrodynamic flow within a wide
range of values of these parameters.
Abstract: Certain tRNA synthetases have developed highly accurate molecular machinery to discriminate their cognate amino acids. Those aaRSs achieve their goal via editing reaction in the Connective Polypeptide 1 (CP1). Recently mutagenesis studies have revealed the critical importance of residues in the CP1 domain for editing activity and X-ray structures have shown binding mode of noncognate amino acids in the editing domain. To pursue molecular mechanism for amino acid discrimination, molecular modeling studies were performed. Our results suggest that aaRS bind the noncognate amino acid more tightly than the cognate one. Finally, by comparing binding conformations of the amino acids in three systems, the amino acid binding mode was elucidated and a discrimination mechanism proposed. The results strongly reveal that the conserved threonines are responsible for amino acid discrimination. This is achieved through side chain interactions between T252 and T247/T248 as well as between those threonines and the incoming amino acids.