用选矿方法直接从辉钼矿中制取高纯二硫化钼的研究

介绍了用普通的选矿方法——浮选,直接从辉钼矿中制取高纯度二硫化钼的试验研究。

Facet dependence of electrocatalytic furfural hydrogenation on palladium nanocrystals

Electrocatalytic hydrogenation(ECH)offers a sustainable route for the conversion of biomass-derived feedstocks under ambient conditions;however,an atomic-level understanding of the catalytic mechanism based on heterogeneous electrodes is lacking.To gain insights into the relation between electrocatalysis and the catalyst surface configuration,herein,the facet dependence of the ECH of furfural(FAL)is investigated on models of nanostructured Pd cubes,rhombic dodecahedrons,and octahedrons,which are predominantly enclosed by{100},{110},and{111}facets,respectively.The facet-dependent specific activity to afford furfuryl alcohol(FOL)follows the order of{111}>{100}>{110}.Experimental and theoretical kinetic analyses confirmed the occurrence of a competitive adsorption Langmuir-Hinshelwood mechanism on Pd,in which the ECH activity can be correlated with the difference between the binding energies of chemisorbed H(^(*)H)and FAL(^(*)FAL)based on density functional theoretical(DFT)calculations.Among the three facets,Pd{111}exhibiting the strongest^(*)H but the weakest^(*)FAL showed the copresence of the^(*)H and^(*)FAL intermediates on the Pd surface for subsequent hydrogenation,experimentally confirming its high ECH activity and Faradaic efficiency.The free energies determined using DFT calculations indicated that^(*)H addition to the carbonyl of FAL on Pd{111}was thermodynamically preferred over desorption to gaseous H2,contributing to efficient ECH to afford FOL at the expense of H2 evolution.The obtained insights into the facet-dependent ECH underline that surface bindings assist ECH or H2 evolution considering their competitiveness.These findings are expected to deepen the fundamental understanding of electrochemical refinery and broaden the scope of electrocatalyst exploration.

Effect of different processing parameters on interfacial heat-transfer behavior in high-pressure die-casting process

Vacuum die casting can reduce the'air entrapment'phenomenon during casting process.Based on the temperature measurements at metal-die interface with different processing parameters,such as slow shot speed(VL),high shot speed(VH),pouring temperature(Tp)and initial die temperature(Tm),inverse method was developed to determine the interfacial heat transfer coefficient(IHTC).The results indicate that a closer contact between the casting and die could be achieved when the vacuum system is used.It is found that the vacuum could strongly increase the values of IHTC and decrease the grain size in castings.The IHTC could have a higher peak value with increasing the Tp from680to720℃or the VL from0.1to0.4m/s.In addition,the influence of the VH and Tm on IHTC could be negligible.

Effects of laser surface melting on crystallographic texture, microstructure, elastic modulus and hardness of Ti-30Nb-4Sn alloy

The biocompatibility of orthopedic implants is closely related to their elastic modulus and surface properties.The objective of this study was to determine the effects of cold rolling,recrystallization and laser surface melting(LSM)on the microstructure and mechanical properties of a biphase(α″+β)Ti-30Nb-4Sn alloy.X-ray diffraction(XRD)texture analysis of the cold-rolled substrate revealed the[302]α″//ND texture component,while analysis of the recrystallized substrate showed the[302]α″//ND and[110]α″//ND components.Theβ-phase texture could not be directly measured by XRD,but the presence of the[111]β//ND texture component was successfully predicted by considering the orientation relationship between theα″andβphases.Nanoindentation measurements showed that the elastic modulus of the cold-rolled substrate(63GPa)was lower than that of the recrystallized substrate(74GPa).Based on the available literature and the results presented here,it is suggested that this difference is caused by the introduction of crystal defects during cold deformation.The combined nanoindentation/EBSD analysis showed that the nanoindentation results are not affected by crystal orientation.LSM of the deformed alloy produced changes in hardness,elastic modulus and crystallographic texture similar to those produced by recrystallization heat treatment,creating a stiffness gradient between surface and substrate.

Effects of crystallinity, {001}/{101} ratio, and Au decoration on the photocatalytic activity of anatase TiO_2 crystals

Anatase TiO2 nanocrystals and sub-microcrystals with truncated octahedral bipyramidal morphologies were prepared by direct calcination of TiOF2 precursors. The as-prepared TiO2 samples were thoroughly characterized by X-ray diffraction, Raman spectroscopy, field-emission scanning electron microscopy, N2 adsorption-desorption isotherms, X-ray photoelectron spectroscopy, and UV-visible diffuse spectroscopy. It was found that the crystallinity, grain size, and {001}/{101} ratio of the samples can be increased by raising the calcination temperature from 500 to 800℃. The higher crystallinity and {001}/{101} facet ratio resulted in an increase in both aqueous and gas-phase photocatalytic activities, by inhibiting the recombination and separation of electrons and holes. After selecting two TiO2 samples with high crystallinity and {001}/{101} ratio, Au nanoparticles were decorated on their surfaces, and the photocatalytic activity of the resulting samples under visible light illumination was studied. It was found that the visible light-induced photocatalytic activity increased by 2.6 and 4.8 times, respectively, upon Au decoration of the samples prepared by calcination of TiOF2 at 700 and 800℃.

晶面腐蚀像与晶面对称及晶面结构的关系

综合分析了石英、石榴子石、橄榄石、锆石、红柱石的各不同结晶学意义的晶面腐蚀像特点,总结了晶面腐蚀像与晶面对称性及晶面结构特点之间的关系.腐蚀像不仅可以揭示晶面及晶体的对称性,还可以揭示晶面的结晶学意义,即同一晶体上的不同结晶学意义的晶面,尽管对称性相同,也具有不同的腐蚀像;不同晶体之间的具有相同对称性的晶面可能会有相同的腐蚀像;腐蚀像类似于一种宏观晶体形态,主要与晶面的对称性有关,与晶面上原子、离子排列的结构细节关系不大;同一晶体的同一晶面在不同的腐蚀剂中所得的腐蚀像也可能完全不同;有些晶面的腐蚀像可以用晶体生长形态的常见晶面与被腐蚀面的交棱来解释.该研究在揭示晶体溶解形态机理、将溶解形态与晶体生长形态对比、用溶解形态来反映晶体曾经经历的酸-碱环境等方面具有理论与实际意义.

Research on the nanometric machining of a single crystal nickel via molecular dynamics simulation

Molecular dynamics simulations are employed to study the nanometric machining process of single crystal nickel. Atoms from different machining zones had different atomic crystal structures owing to the differences in the actions of the cutting tool. The stacking fault tetrahedral was formed by a series of dislocation reactions, and it maintained the stable structure after the dislocation reactions. In addition, evidence of crystal transition and recovery was found by analyzing the number variations in different types of atoms in the primary shear zone, amorphous region, and crystalline region. The effects of machining speed on the cutting force, chip and subsurface defects, and temperature of the contact zone between the tool and workpiece were investigated. The results suggest that higher the machining speed, larger is the cutting force. The degree of amorphousness of chip atoms and the depth and extent of subsurface defects increase with the machining speed. The average friction coefficient first decreases and then increases with the machining speed because of the temperature difference between the chip and machining surface.

Polymorph selection in the crystallization of hard-core Yukawa system

Colloid-colloid interactions in charge-stabilized dispersions can to The crystallization process and polymorph selection of hard-core some extent be represented by the hard-core Yukawa model. Yukawa model are studied by means of smart Monte Carlo simulations in the region of face-centered-cubic （fcc） phase. The contact value of bard-core Yukawa potential and the volume fraction of the colloids are fixed, while the Debye screening length can be varied. In the early stage of the crystallization, the precursors with relatively ordered liquid structure have been observed. Although the crystal structure of thermodynamically stable phase is fcc, the system crystallizes into a mixture of fcc and hexagonal close-packed （hcp） structures under small Debye screening length since the colloidal particles act as effective hard spheres. In the intermediate range of Debye screening length, the system crystallizes into a mixture of fcc, hcp, and body-centered-cubic （bcc）. The existence of metastable hcp and bcc structures can be interpreted as a manifestation of the Ostwald＇s step rule. Until the Debye screening length is large enough, the crystal structure obtained is almost a complete fcc suggesting the system eventually reaches to a thermodynamically stable state.