The filtration of fluid in 2D porous medium is simulated by the molecular dynamics technique. The high concentration of fluid is created at the initial point in time and the number of fluid particles is investigated in all porous. The concentration of particles pores and parameters of interaction potentials is varied. In all cases the particles concentration decay is well described by exponenti...

microtubules, the active filaments with tubular shapes, play important roles in a wide range of cellular functions, including structural supports, mitosis, cytokinesis, and vesicular transport, which are essential for the growth and division of eukaryotic cells. finding properties of microtubules is one of the main concerns of scientists. this work helps to obtain mechanical properties of micro...

Constitutional dynamic chemistry (CDC) features the use of reversible linkages at both molecular and supramolecular levels, including reversible covalent bonds (dynamic covalent chemistry, DCC) and noncovalent interactions (dynamic noncovalent chemistry, DNCC). Due to its inherent reversibility and stimuli-responsiveness, CDC has been widely utilized as a powerful tool for the screening of bioa...

graphene sheet including single vacancy, double vacancy and stone-wales with armchair and zigzag structure was simulated using molecular dynamics simulation. the effect of defects on shear’s modulus, shear strength and fracture  strain was investigated. results showed that these shear properties reduce when the degrees of all kinds of defects increase. the dangling bond in sv and dv defected gr...

the effect of membrane molecular weight cut off (mwco) at three levels (10, 20 & 50 kd) on dynamic behavior of permeate flux (jp), hydraulic resistances (total hydraulic resistance, rt; reversible fouling resistance, rrf; irreversible fouling resistance, rif and membrane hydraulic resistance, rm) and milk solutes rejection (protein, rp; fat, rf; lactose, rl; minerals, rm and total solids, r...

human immunodeficiency virus type 1 (hiv-1) protease inhibitors comprise an important class of drugs used in hiv treatments. however, mutations of protease genes accelerated by low fidelity of reverse transcriptase yield drug resistant mutants of reduced affinities for the inhibitors. this problem is considered to be a serious barrier against hiv treatment for the foreseeable future. in this st...

This paper presents an efficient Water Evaporation Optimization algorithm (WEO) is proposed to solve a Dynamic Economic Dispatch problem (DED). The dynamic dispatch problem differs from the static economic dispatch problem by incorporating generator spinning reserve, ramp rate limits, and valve point loading and transmission losses. The proposed water evaporation optimization algorithm is based...

The application of porous bio-nanocomposites polymer has greatly increased in the treatment of boneabnormalities and bone fracture. Therefore, predicting the mechanical properties of these bio-nanocompositesare very important prior to their fabrication. Investigation of mechanical properties like (elasticmodulus and hardness) is very costly and time-consuming in experimental t...