灰铸铁的应力屈服曲面及其三维热弹塑性应力解析

对原有的灰铸铁件应力屈服曲面进行了合理的简化,使其在理论上合理,工程应用上更为方便。建立了灰铸铁件三维非稳态热弹塑性应力场的有限元方法。以灰铸铁哑铃件为对象,用新屈服曲面对其应力发展过程进行了模拟,且比较了用新旧屈服面计算得到的结果。     

湿砂型球铁件锥形冒口的设计

用缩管法设计球铁铸件冒口时，为了既保证铸件质量，又节约金属，提高工艺出品率，采用了向下逐渐增大冒口直径，即所谓锥形冒口，本文介绍了球铁锥形冒口的设计方法及其需注意的问题，并用Ｃ语言设计编制了计算机程序     

炼钢─连铸─热轧直接热装一体化计划

从计划角度重点分析了钢铁生产中炼钢、连铸、热轧三者之间联接的较高模式－直接热装轧制计划系统的实现方式，并给出了较为具体的方案。     

新型薄壁柴油机缸体铸件的研制与应用

采用低合金化、合锑多元复合孕育剂、扫描电镜、200h台架试验、以及l000h耐久试验等方法对新型薄壁柴油机缸体铸件进行了研制与应用试验．试验结果表明：碳当量控制在3．9％--4．1％时(与菲亚特缸体的碳当量大体相当)，采用低合金化及合锑复合孕育剂，可稳定获得高强度铸件，抗拉强度σb＞270MPa，硬度HB＞210，白口倾向小，硬度差小于35HB，其性能均达到菲亚特缸体的性能要求．对无缸套缸体的缸壁表面进行激光处理，比传统缸套的耐磨性提高一倍以上．由于采用了无缸套缸体生产技术，简化了柴油机的结构，降低了柴油机的生产成本，提高了柴油机使用性能和技术含量．     

应用全谱直读光谱仪测定原油中铁和钙元素的含量

提出了利用电感耦合等离子发射光谱ICP -AES法测定原油中铁、钙元素含量的方法 ,考察了雾化压力、RF功率等对被测元素分析线强度的影响 ,确定了仪器的最佳使用条件。试验表明 ,该方法简便、快速、精密度和准确度均令人满意 ,能满足实际应用的要求     

Ab initio study of the effects of Ag/Mn doping on the electronic structure of LiFePO_4

Based on density functional theory (DFT) of the first-principle for the cathode materials of lithium ion battery, the electronic structures of Li(Fe1-xMex)PO4 (Me = Ag/Mn, x = 0―0.40) are calculated by plane wave pseudo-potential method using Cambridge serial total energy package (CASTEP) program. The calculated results show that the Fermi level of mixed atoms Fe1-xAgx moves into its conduction bands (CBs) due to the Ag doping. The Li(Fe1-xAgx)PO4 system displays the periodic direct semiconductor characteristic with the increase of Ag-doped concentration. However, for Fe1-xMnx mixed atoms, the Fermi level is pined at the bottom of conduction bands (CBs), which is ascribed to the interaction be-tween Mn(3d) electrons and Fe(4s) electrons. The intensity of the partial density of states (PDOS) near the bottom of CBs becomes stronger with the increase of Mn-doped concentration. The Fermi energy of the Li(Fe1-xMnx)PO4 reaches maximum at x = 0.25, which is consistent with the experimental value of x = 0.20. The whole conduction property of Mn-doped LiFePO4 is superior to that of Ag-doped LiFePO4 cathode material, but the structural stability is reverse.     

Theoretical study on the lithium bond interaction of furan homologues C_4H_4Y (Y=O, S) with LiCH_3 via DFT and MP2

The optimizations geometries and interaction energy corrected by BSSE of the complexes between C4H4Y (Y=O, S) and CH3Li have been calculated at the B3LYP/6-311 G** and MP2/6-311 G** levels. Three complexes were obtained. Abnormally, the calculations showed that all the C10—Li14 bond lengths increased obviously but the blue-shift of C10—Li14 stretching frequency occurred after formed complexes. The calculated binding energy with basis set super-position error (BSSE) and zero-point vibrational energy corrections of complexes I―III is ?45.757, ?35.700 and ?39.107 kJ·mol?1, respectively. The analyses on the combining interaction with the atom-in-molecules theory (AIM) also showed that a relatively strong lithium bond interaction presented in furan homologues C4H4Y---LiCH3 systems. Natural bond orbital theory (NBO) analysis has been performed, and the results revealed that the com- plex I is formed with n-σ type lithium bond interaction between C4H4O and LiCH3, complex II is formed with π-s type lithium bond interaction between C4H4O and LiCH3, and complex III is formed with π-s and n-s type lithium bond interactions between C4H4S and LiCH3, respectively.     

稀土高碳当量灰口铸铁组织与性能的研究

本文研究了利用稀土合金改善高碳当量灰口铸铁质量的可能性,稀土合金对高碳当 量灰口铸铁组织和性能影响的规律,以及稀土夹杂物在铸铁各相中分布的规律．发现了 稀土合金加入量与铸铁的机械性能之间明显的对应关系——“双峰值效应”。对稀土高 碳当量灰口铸铁的某些高温机械、物理、化学性能进行了研究。结果表明稀土合金加入 到高碳当量灰口铸铁中以后能净化铁水,改善组织,并提高其性能．     

高岭土负载绿色合成纳米铁的制备及其对孔雀石绿和铅离子的去除性能研究

红背桂树叶提取物绿色合成铁纳米颗粒（Fe NPs）在水环境修复领域具有很高的应用潜力。但由于Fe NPs存在团聚、易氧化等不稳定因素,在去除污染物时抑制了反应活性。为了解决这一问题,使用一步法制备了高岭土负载Fe NPs （K-Fe NPs）,并系统地检测了其对孔雀石绿和Pb²⁺混合污染物的去除反应活性。采用X射线衍射（XRD）和傅里叶红外光谱（FTIR）对Fe NPs、高岭土和K-Fe NPs进行表征和分析。3种材料对比实验结果表明,K-Fe NPs对单独的孔雀石绿和Pb²⁺的去除效率（99.10%和93.41%）优于Fe NPs（93.67%和85.33%）和高岭土（32.54%和12.50%）。此外,K-Fe NPs经过4次重复循环对孔雀石绿和Pb²⁺的去除率仍分别为74.02%和55.48%。结果表明,K-Fe NPs在染料和重金属离子复合污染修复领域具有一定应用前景。