Molecular Dynamics Simulation of Cage Effect in the Glass Transition of Argon

The glass transition process of argon is studied by molecular dynamics simulations with Lennard-Jones potential. The cage effect appears at about 24K. The Lindemann length of argon is found to be 0.55A. Two relaxation processes are clearly observed near the glass transition temperature, which is in agreement with the mode-coupling theory.

Solid-to-molecular-orientational-hexatic melting induced by local environment determined defect proliferations

Two-dimensional(2D)melting is a fundamental research topic in condensed matter physics,which can also provide guidance on fabricating new functional materials.Nevertheless,our understanding of 2D melting is still far from being complete due to existence of possible complicate transition mechanisms and absence of effective analysis methods.Here,using Monte Carlo simulations,we investigate 2D melting of 60°rhombs which melt from two different surface-fullycoverable crystals,a complex hexagonal crystal(cHX)whose primitive cell contains three rhombs,and a simple rhombic crystal(RB)whose primitive cell contains one rhomb.The melting of both crystals shows a sequence of solid,hexatic in molecular orientation(Hmo),and isotropic phases which obey the Berezinskii-Kosterlitz-Thouless-Halperin-Nelson-Young(BKTHNY)theory.However,local polymorphic configuration(LPC)based analysis reveals different melting mechanisms:the cHX-Hmotransition is driven by the proliferation of point-like defects during which defect-associated LPCs are generated sequentially,whereas the RB-Hmotransition is driven by line defects where defect-associated LPCs are generated simultaneously.These differences result in the observed different solid-Hmotransition points which areφA=0.812 for the cHX-HmoandφA=0.828 for the RB-Hmo.Our work will shed light on the initial-crystal-dependence of 2D melting behavior.

Draping Behavior of Carbon Non-Crimp Fabrics and Its Effects on Mechanical Performance of the Hemispherical Composites

In order to investigate the draping behavior of non-crimp fabrics（NCFs）, two types of carbon NCFs with tricot-chain stitches or chain stitches were formed on a hemispherical mould via a stretch forming process. The shear angle and forming defects of the fabrics were measured on the hemisphere, under different blank holder forces（BHFs）. The results showed that increasing BHF could enhance the shear angle slightly, reduce the asymmetry for the deformation of the fabrics, and change the main type of the process-induced defects. Besides, compression tests were performed on the corresponding composite components. By analyzing the change of fiber volume fraction and structural parameters of the textile reinforcements, the effects of draping behavior of NCFs on the mechanical performance of the composites were studied. The results reveal that draping process has distinguishable impacts on the mechanical properties of the final components, which is closely related to the stitching pattern of the NCFs.

Micro thermoplastic forming of a Pd-based metallic glass:theory and applications

Metallic glasses（MGs）are considered as the ideal materials for miniature fabrication because of their excellent micro thermoplastic forming ability in the supercooled liquid region.The understanding and controlling of micro filling process are fundamental for miniature fabrication and their applications,yet presently remain unresolved issues.A universal kinetic equation was proposed to describe the filling kinetics of viscous metallic glass supercooled liquid in micro molds with general cross sectional shapes by using a Pdbased MG as the modeling material and a series of potential applications based on the micro thermoplastic forming of the MG were developed.