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We present a modified Gay–Berne (GB) potential, in which the attraction force can be tuned by adjusting one parameter only. An attractive parameter Ps is introduced for describing the strength of attractive force relative to its repulsive counterpart between large particles. Using the proposed model, the phase transition phenomena of liquid crystal molecules as the density varies from 0.32 to 0.24,...
Generally polymer bulk structures and nanostructures are thermally insulative. In this study, we show that an improved nanoporous template wetting technique can prepare thermally conductive polymer nanowire arrays. The thermal conductivities of the fabricated high-density polyethylene (HDPE) nanowire arrays with diameters of 100 nm and 200 nm, measured by a laser flash method, are about 2 orders of...
Manipulation of molecular orientation alignment in MCTLCPs (main-chain thermotropic liquid crystalline polymers) by pure shear at nano scale has been investigated for the first time using molecular dynamics (MD) simulation. Results indicate that high planar shear induces long-range uniform orientation ordering (liquid crystalline phase) of initially randomly orientated molecules of MCTLCP fluid confined...
The flow behavior of polymer melts in nanochannels by wetting actions was investigated by statistical analyses of generated polymer nanofibers' length in nanochannels of nanoporous alumina template using Scanning Electron Microscopy. The polyethylene nanofibers with high aspect ratio are formed after the infiltration of melts into the alumina nanochannels by wetting actions. The wetting of polyethylene...
The rheological properties and phase orientation of liquid crystalline polymer (LCP) melts flowing in a nanochannel with different surface roughness are investigated by molecular dynamics (MD) simulations. The molecular chains of LCPs are depicted by a newly developed molecular model named GB-spring-bead model, which has proved to be efficient and accurate in studying the phase transition behaviors...
8-Hydroxyqunioline end-capped polystyrene was prepared through atom transfer free radical polymerization (ATRP) with 8-(5-chloromethyl) quinolyl acetate as initiator. The results indicated that this polymerization is a first order reaction with respect to monomer conversion. The molecular weight increased linearly with monomer consumption and very narrow distribution of molecular weight was obtained...
Molecular dynamics simulations of a semi-flexible main chain LCP (liquid crystalline polymer) have been carried out using a newly developed model named solo-LJ-spring-GB model. The new model represents the molecular chain in the form of GB-spring-LJ-spring-…-LJ-spring-GB sections that simplifies the model and reduces the simulation computation by many times. The new model was evaluated by studying...
Plastic injection molding machine that can be classified as reciprocating extruders are among the most widely used machines in industry. However, most studies in the injector design were based on steady state models developed for extruders that involved no reciprocation. This over-simplified model leaves out the most important aspect of reciprocation. The authors of this paper have derived a transient...
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