Structure-controlled slow dynamics in Al−Mg melts

Molecular dynamics simulation was employed to investigate the dynamical and structural properties of Al−Mg melts with the Al concentration systematically changed.The results show that the viscosity of Al67Mg33 abnormally surpasses that of Al85Mg15 below 550 K,inconsistent with the tendency at high temperatures.The evolution of the icosahedral order population is found to account for this dynamic behavior.Structural analysis shows a preferred bonding between Al and Mg atoms in the nearest neighbor shells,while a repelling tendency between them in the second shells,leading to the prepeak emergence in the partial static structure factors.The formation of icosahedral clusters is constrained in the Al-rich compositions because of the lack of sufficient Mg atoms to stabilize the clusters geometrically.These results demonstrate the structural consequence through the interplay between geometric packing and chemical interaction.These findings are crucial to understanding the structure−dynamic properties in Al−Mg melts.

Crystal structures and elastic properties of Ti(Cu,Pt)2 and Ti(Cu,Pt)3 phases

This paper focused on the crystal structures of two new ternary phases,Ti(Cu,Pt)2 and Ti(Cu,Pt)3,which were studied by X-ray powder diffraction data using Rietveld method.Electron probe microanalysis was used for sample composition examination.Elastic properties of these phases were further measured by nano-indentation,and meanwhile calculated with first-principle(FP)calculations.It is found that the crystal structure of Ti(Cu,Pt)2 is of orthorhombic cell space group Amm2(No.38)with structural prototype of VAu2.The resolved structure of Ti(Cu,Pt)3 is of tetragonal Al Pt3 type,belonging to the space group P4/mmm(No.123).The nano-indentation measurement and FP calculations show that the elastic modulus of Ti(Cu,Pt)2 increases firstly then decreases with Pt content,whereas that of Ti(Cu,Pt)3almost linearly increases with Pt content.

Chitin-derived fibrous carbon microspheres as support of polyamine for remarkable CO_(2) capture

Supported polyamines are promising candidates for the chemical adsorption of CO_(2),the performance of which is highly dependent on the porous structure of supports.In this work,we synthesized a kind of fibrous carbon microspheres(FCMs)from environmentally friendly and low-cost chitin.The synthesized FCMs have microspheric morphology and fibrous sub-architecture,and the carbon fibers interweave to form pores with large diameters.The flexibility of the pores formed by the interweaving of carbon fibers also enable the supporting of high quantity of polyamines.Given these features,pentaethylenehexamine(PEHA)was physically dispersed in the pores of FCMs to prepare PEHA/FCMs adsorbents,which were systematically characterized and investigated for CO_(2) capture performance.It is found that PEHA/FCMs adsorbents show excellent ability for CO_(2) adsorption,with the highest CO_(2) capacity of 3.90 mmol g^(-1) at 75℃ when using 10 vol%of CO_(2) for determinations.The reversibility of PEHA/FCMs adsorbents for CO_(2) adsorption is also fairly good,and PEHA/FCMs adsorbents have strong ability for the selective adsorption of low-content CO_(2) from N_(2).