Synthesis of Polymethacrylates Used as Multifunctional Lubricating Oil Additives

In this paper, four kinds of polymethacrylates(PMAs) used as multifunctional additives were synthesized from quaternary C1—C14 methacrylate, among which sample 4 exhibited relatively better performance. According to the methacrylate ratio of sample 4, the optimized reaction conditions of PMA were explored by orthogonal experiments comprising 4 factors and 3 levels, and the optimized reaction conditions covered an initiator dosage of 0.8 %, a molecular weight regulator dosage of 0.4%, a reaction temperature of 95 ℃ and a reaction time of 8.5 h. When the optimized PMA samples were used to formulate the 75W/90 automotive gear base oil, they exhibited improved shear stability and good low temperature property. In comparison with foreign commercial polymethacrylate GP, the optimized PMA samples exhibited better thickening ability, similar shear stability and slightly weak low temperature property, with their performance being the same as GP's on the whole. The slight difference in the performance between the optimized PMA and GP was attributed to the difference of chain length of copolymers and the distribution of relative molecular mass between them.

Loading direction dependent mechanical behavior of graphene under shear strain

The mechanical behavior of graphene under in-plane shear is studied using molecular dynamics simulations.We show that the shear behavior of chiral graphene is dependent on the loading direction due to its structural asymmetry.The maximum shear failure strain of graphene in one direction may be 1.7 times higher than that in the opposite direction.We discuss also the influence of the cut-off parameters on the calculations.Our findings are useful for the understanding of mechanical behavior of graphene and the potential applications of graphene in nanodevices.

Effects of chain stiffness and shear flow on nanoparticle dispersion and distribution in ring polymer melts

The dispersion behavior and spatial distribution of nanoparticles(NPs)in ring polymer melts are explored by using molecular dynamics(MD)simulations.As polymer-NP interactions increase,three general categories of polymer-mediated NP organization are observed,namely,contact aggregation,bridging,and steric dispersion,consistent with the results of equivalent linear ones in previous studies.In the case of direct contact aggregation among NPs,the explicit aggregation-dispersion transition of NPs in ring polymer melts can be induced by increasing the chain stiffness or applying a steady shear flow.Results further indicate that NPs can achieve an optimal dispersed state with the appropriate chain stiffness and shear flow.Moreover,shear flow cannot only improve the dispersion of NPs in ring polymer melts but also control the spatial distribution of NPs into a well-ordered structure.This improvement becomes more evident under stronger polymer-NP interactions.The observed induced-dispersion or ordered distribution of NPs may provide efficient access to the design and manufacture of high-performance polymer nanocomposites(PNCs).

Particle Image Velocimetry Experimental and Computational Investigation of a Blood Pump

Blood pumps have been adopted to treat heart failure over the past decades. A novel blood pump adopting the rotor with splitter blades and tandem cascade stator was developed recently. A particle image velocimetry （P1V） experiment was carried out to verify the design of the blood pump based on computational fluid dynamics （CFD） and further analyze the flow properties in the rotor and stator. The original sized pump model with an acrylic housing and an experiment loop were constructed to perform the optical measurement. The PIV testing was carried out at the rotational speed of 6952±50 r/rain with the flow rate of 3.1 l/rain and at 8186±50 r/min with 3.5 l/rain, respectively. The velocity and the Reynolds shear stress distributions were investigated by PIV and CFD, and the comparisons between them will be helpful for the future blood pump design.

Signatures of shear thinning-thickening transition in steady shear flows of dense non-Brownian yield stress systems

Steady shear flows of dense athermal systems composed of soft disks are investigated via non-equilibrium molecular dynamics simulations, from which we sort out links among the structure, dynamics, and shear rheology. The systems at rest are jammed packings of frictionless disks with a nonzero yield stress. Driven by low shear rates, the flows shear thin due to the presence of the nonzero yield stress, but transit to shear thickening above a crossover shear rate γc - At γc, we observe the strongest struc- tural anisotropy in the pair distribution function, which serves as the structural signature of the shear thinning-thickening tran- sition. We also observe dynamical signatures associated with the transition： At γc , scaling behaviors of both the mean squared displacement and relaxation time undergo apparent changes. By performing a simple energy analysis, we reveal an underlying condition for the shear thickening to occur： d（lnTg）/d（Inγ） 〉 2 with Tg the kinetic temperature. This condition is confirmed by simulations.

MD simulations of loading rate dependence of detwinning deformation in nanocrystalline Ni

Molecular dynamics simulations are performed to investigate the deformation behavior of nanocrystalline Ni with pre-twin atom structure.The simulation sample is composed of four grains with average size 12 nm.The simulation technique of isobaric-isothermal ensemble(NPT) with high pressure is applied to obtain a sample with two circle twins.Under uniaxial tensile and shear loading,as well as different detwinning deformation behaviors are observed.Under uniaxial tension the detwinning deformation is induced by the event of grain growth,and it is supported by local energy analysis.Under the shear loading the detwinning deformation is related to the loading rate.The results show that there may be a critical shear rate.As the shear rate is sufficiently high the circle twin is found to be failed;as the shear rate is less than that rate,the size of circle twin become smaller and gradually approach a constant value.Our simulation results are in good agreement with experiment observation.

Molecular kinetic theory of boundary slip on textured surfaces by molecular dynamics simulations

A theoretical model extended from the Frenkel-Eyring molecular kinetic theory(MKT)was applied to describe the boundary slip on textured surfaces.The concept of the equivalent depth of potential well was adopted to characterize the solid-liquid interactions on the textured surfaces.The slip behaviors on both chemically and topographically textured surfaces were investigated using molecular dynamics(MD)simulations.The extended MKT slip model is validated by our MD simulations under various situations,by constructing different complex surfaces and varying the surface wettability as well as the shear stress exerted on the liquid.This slip model can provide more comprehensive understanding of the liquid flow on atomic scale by considering the influence of the solid-liquid interactions and the applied shear stress on the nano-flow.Moreover,the slip velocity shear-rate dependence can be predicted using this slip model,since the nonlinear increase of the slip velocity under high shear stress can be approximated by a hyperbolic sine function.