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INVESTIGATION ON THE DENSITY UNIFORMITY OF PRESSED PARTS BY LOW-VOLTAGE ELECTROMAGNETIC COMPACTION Z.H.Meng1,Y.C.Li1,S.Y.Huang2,B.Zhang1,W.Ouyang1 (1.Wuhan University of Technology, Wuhan 430070, China;2.Harbin Institute of Technology, Harbin 150001, China) Abstract:Powder metallurgy is an efficient approach to fabricate varieties of high performance structure materials, function materials......
of the gas, verifying the feasibility and stability of the method proposed in this paper. 2 Theory 2.1 Objective function Bayesian theory can provide a theoretical framework to make probabilistic...] and DOWNTON [14], the Bayesian theory estimates the PPDF via the likelihood function and a priori probability function p(r), which can be expressed as ......
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mechanism of the collector, 2-mercaptobenzothiazole (MBT), with chalcopyrite and sphalerite surfaces were investigated by Fourier transform infrared (FTIR) and density functional theory. Results of FTIR...; 2-mercaptobenzothiazole; adsorption mechanism; density functional theory 1 Introduction With the mineral resources rapidly becoming depleted, fine-grained and complex, the flotation becomes more......
and energy of butyl xanthate on the surfaces of galena with different impurities were simulated by density functional theory. Flotation experiments showed that Ag and Bi significantly promoted the recovery...; floatation; xanthate; adsorption; microcalorimetry; density functional theory 1 Introduction The flotation results in practice show that the flotation behavior of sulfide minerals is related......
nitro. The interaction of NH3 and NO molecules with the Cu2+ present on the CuAl2O4 (100) surface was investigated by using a periodic density functional theory. The results show that the adsorption...) and the density functional theory (DFT) methods are carried out. 2 Experimental 2.1 Desorption experiment Spherical CuO/γ-Al2O3 granular catalysts were prepared by sol-gel method, as described......
原理; 掺杂; 光学属性; 密度泛函理论; zinc oxide; first principles; doped; optical properties,density function theory (DFT); [全文内容正在添加中] ......
model. Density Function Theory method adopts B3LYP Becke model with three parameters[15, 16]: an exchange functional[17] that consists of 20% Hartree-Fock Exchange, 8% Slater Exchange and 72% Becke-88... at 6-31G, B3LYP/6-31G, 6-31G*, B3LYP/6-31G*, 6-31G**and B3LYP/6-31G** levels. The bonding orientation of Al6(OH)18(H2O)6 is analyzed. Key words: gibbsite; ab initio; density fuction theory(DFT......
Thermodynamics and density functional theory study of potassium dichromate interaction with galenaJian-Hua Chen1,2,Xian-Hao Long1,Li-Hong Lan3,Qian He21. College of Chemistry and Chemical Engineering... by density functional theory(DFT). The calculated results show that 24CrO-species adsorb energetically at the Pb–S bond site, and the presence of O2 can enhance this adsorption.关键词:......
Density Functional Theory Study on the Oxidation of Hydrosilylated Silicon NanocrystalsXiaodong Pi,Rong Wang,Deren YangState Key Laboratory of Silicon Materials and Department of Materials Science... time exposure to air.We now investigated the oxidation of hydrosilylated Si NCs in the frame work of density functional theory(DFT).Three oxygen configurations that may be introduced by the oxidation......
