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Synthesis and Structure of a Two-dimensional Double Chain Iron(Ⅱ) L-Trp Coordination Polymer [Fe(L-trp)_2(HL-trp)_2]_n 被引量:6
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作者 WANG Jian XU Xing-You +5 位作者 MA Wei-Xing XU Rui-Bo TONG Yu-Ping LU Lu-De YANG Xu-Jie WANG Da-Qi 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2008年第2期153-158,共6页
The title complex [Fe(L-trp)2(HL-trp)2]n (L-trp = L-tryptohan or 2-amino-3-(1H -indol-3-yl)-propanoic acid) has been formed by a hydrothermal method involving hexaaquacobaltous perchlorate and L-tryptophan. Th... The title complex [Fe(L-trp)2(HL-trp)2]n (L-trp = L-tryptohan or 2-amino-3-(1H -indol-3-yl)-propanoic acid) has been formed by a hydrothermal method involving hexaaquacobaltous perchlorate and L-tryptophan. The product was characterized by elemental analysis, IR spectra and single-crystal X-ray diffraction. The crystal belongs to the monoclinic system, space group P211c, with a = 19.828(3), b = 5.4233(14), c = 9.2796(16) A, β= 97.691(2)°, V = 988.9(3) A3, Z = 2, Mr = 462.29, Dx = 1.553 g/cm3, F(000) = 480,/a = 0.802 mm^-1, the final R = 0.0399 and wR = 0.0930 for 1738 observed reflections with I 〉 2σ(/). The structural analysis shows that the complex assumes a two-dimensional double chain plane structure. 展开更多
关键词 crystal structure fe(Ⅱ) complex L-TRYPTOPHAN polymer SYNTHESIS
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基于VRB/OW-GFRP混合结构的CTB电池包上盖总成轻量化设计研究
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作者 段利斌 张雨 +5 位作者 杜展鹏 刘冶钢 孟祥新 田冠男 郑海洋 吴闯 《汽车工程》 EI CSCD 北大核心 2024年第2期290-299,共10页
电池车身一体化(CTB)是提升电动汽车续航里程的关键技术。利用胶接工艺将变厚度(VRB)结构与正交编织玻璃纤维增强复合材料(OW-GFRP)粘接形成的VRB/OW-GFRP混合结构,是降低CTB电池包质量的创新结构,有助于进一步提升电动汽车的续航里程... 电池车身一体化(CTB)是提升电动汽车续航里程的关键技术。利用胶接工艺将变厚度(VRB)结构与正交编织玻璃纤维增强复合材料(OW-GFRP)粘接形成的VRB/OW-GFRP混合结构,是降低CTB电池包质量的创新结构,有助于进一步提升电动汽车的续航里程。以某款电动汽车为研究对象,设计了一种CTB电池车身一体化结构,实现了电池包上盖与车身地板的集成融合。分别采用VRB结构、UT/OW-GFRP及VRB/OW-GFRP混合结构替代等厚度(UT)CTB电池包上盖总成,并基于多阶段优化方法开展了3种类型CTB电池包上盖总成的轻量化设计。结果表明,在满足CTB电池包刚度性能前提下,VRB结构相比UT结构实现减质量6.4%;基于VRB/OW-GFRP混合结构的CTB电池包上盖总成轻量化效果约为金属结构的3倍,VRB/OW-GFRP相比UT/OW-GFRP混合电池包上盖总成进一步减质量4.2%。由此可见,VRB/OW-GFRP混合结构是未来汽车轻量化技术发展的重要趋势,在CTB电池包上盖总成中具有巨大的应用前景。 展开更多
关键词 变厚度/正交编织玻璃纤维增强复合材料 混合结构 电池车身一体化 电池包 轻量化
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Microstructures of Ti–Ni–Fe wire after severe cold-drawing and annealing 被引量:2
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作者 Hui-Fang Geng Fu-Shun Liu 《Rare Metals》 SCIE EI CAS CSCD 2013年第6期550-554,共5页
The microstructures and mechanical properties of Ti–47 at%Ni–3 at%Fe shape memory alloy wire under the condition of severe cold-drawing at room temperature and different postdeformation annealing processes were inte... The microstructures and mechanical properties of Ti–47 at%Ni–3 at%Fe shape memory alloy wire under the condition of severe cold-drawing at room temperature and different postdeformation annealing processes were intensively investigated using transmission electron microscope(TEM),X-ray diffraction(XRD),Vickers microhardness tester and electron tensile tester.It is indicated that the structure of the alloy evolves into a predominant amorphous structure with a trace of nanocrystalline B2 phase after the cold-drawing of 76%areal reduction.Postdeformation annealing process exerted significant influence on the microstructure and mechanical properties.Crystallization occurs when the cold-drawn wire was annealed at 300℃ for 30 min.The ultimate tensile strength and ductility as well as the superelasticity of the wire are improved significantly by cold-drawing plus postdeformation annealing. 展开更多
关键词 Ti–Ni–fe wire Severe plastic deformation COLD-DRAWING ANNEALING Amorphous structure
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等级孔结构协同Fe改性提升ZSM-5分子筛催化苯甲醇烷基化性能
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作者 宋宇航 刘湛 +5 位作者 吕佳敏 余申 李小云 孙明慧 陈丽华 苏宝连 《高等学校化学学报》 SCIE EI CAS CSCD 北大核心 2024年第5期28-37,共10页
针对ZSM-5分子筛微孔扩散限制和催化活性位单一的问题,使用有序大孔-介孔碳模板为硬模板并结合原位引入金属策略,一步晶化合成了具有高结晶度、高比表面积的有序贯通大孔-介孔-微孔等级结构的Fe/ZSM-5分子筛单晶.通过X射线衍射(XRD)、紫... 针对ZSM-5分子筛微孔扩散限制和催化活性位单一的问题,使用有序大孔-介孔碳模板为硬模板并结合原位引入金属策略,一步晶化合成了具有高结晶度、高比表面积的有序贯通大孔-介孔-微孔等级结构的Fe/ZSM-5分子筛单晶.通过X射线衍射(XRD)、紫外-可见光谱(UV-Vis)、H_(2)程序升温还原实验(H2-TPR)和X射线光电子能谱(XPS)等手段对催化剂中活性Fe的存在形式进行了表征.结果表明,该材料中位于离子交换位及铁氧八面体(六配位)的孤立Fe(III)是主要的氧化还原活性中心,当Fe负载量(质量分数)为1%时,苯甲醇转化率最高为59.3%,产物选择性为83.2%,最终收率达到49.3%,在循环使用5次后仍保持高催化活性. 展开更多
关键词 ZSM-5分子筛 等级结构 过渡金属铁 芳烃烷基化
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Three-Dimensional Normal Stress for Controlling Electronic Structure and Magnetic Property of Fe2Ge 被引量:2
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作者 Weifu Cen Lin Lyu +1 位作者 Yinye Yang Meihui Fan 《Journal of Harbin Institute of Technology(New Series)》 EI CAS 2018年第6期90-96,共7页
A system study of the three-dimensional normal stress for regulating electronic structure and magnetic property of Fe_2Ge is studied. The density states of Fe more than 92% contribution come from Fe 3d,the density sta... A system study of the three-dimensional normal stress for regulating electronic structure and magnetic property of Fe_2Ge is studied. The density states of Fe more than 92% contribution come from Fe 3d,the density states of Ge mainly contributed from Ge 4p and Ge 4s,and the Fe 3d spin induces the Ge 4p electron transfer. The inductive effect increases germanium electron energy,weakens the Fe spin density of states,opposes the stability of the ferromagnetic state. The magnetic moment varies from 5 to 3 μB with the stress charges from-30 to 30 GPa. The charge of Fe is negative whereas the Ge atom is positively charged,the Fe atom loses charge,the charge transfers to the Ge atom. The unevenly distributed charge forms the newoccupy state and spin polarization state in the Fe_2Ge electron structure system. The Fe is the electron donor,the total electron is transferred to Ge,but the total numbers of gain electron and total numbers of lost electron are not equal,so the Fe_2Ge electron system may have hybridization between the Fe 3d state and Ge 4p state.The magnetic of Fe_2Ge mainly comes from the unoccupied Fe 3d orbital,the Fe 3d is positive spinpolarization state and the spin-polarization strength is decreased,the Ge 4p is negative spin-polarization state and the spin-polarization strength are increased. M oreover,electrons-spin polarization is relevant to the structure parameters of the Fe_2Ge system,and controls spin-polarized electronic behavior by means of adjusting ferromagnetic. 展开更多
关键词 fe2Ge electronic structure magnetic property stress controlling FIRST-PRINCIPLES
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厌氧环境下黏土矿物结构Fe(Ⅲ)还原对Cd(Ⅱ)固持特性的影响
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作者 范小妹 董易坤 +4 位作者 吴聪 王帅 廖文娟 周卫军 崔浩杰 《农业环境科学学报》 CAS CSCD 北大核心 2024年第5期1045-1055,共11页
黏土矿物结构Fe(Ⅲ)是土壤铁元素主要赋存形态之一,稻田淹水环境下矿物结构Fe(Ⅲ)易发生还原反应,改变矿物晶体微结构和表面化学性质,为研究这种变化对矿物固持Cd(Ⅱ)特性的影响,以合成含铁黏土矿物绿脱石为研究对象,通过化学还原,探讨... 黏土矿物结构Fe(Ⅲ)是土壤铁元素主要赋存形态之一,稻田淹水环境下矿物结构Fe(Ⅲ)易发生还原反应,改变矿物晶体微结构和表面化学性质,为研究这种变化对矿物固持Cd(Ⅱ)特性的影响,以合成含铁黏土矿物绿脱石为研究对象,通过化学还原,探讨了厌氧条件下绿脱石结构态Fe(Ⅲ)还原对Cd(Ⅱ)吸附性能的影响及作用机制。结果表明:合成绿脱石中总铁含量为31.3%,结构态Fe(Ⅱ)和Fe(Ⅲ)的含量占总铁的98.6%。还原处理后,矿物结构中Fe(Ⅱ)含量由还原前的3.9%显著提高至67.4%。XRD、SEM、BET和XPS分析表明,还原后绿脱石矿物层间距增大,分散程度更高,比表面积由151.6 m^(2)·g^(-1)增加至184.0 m^(2)·g^(-1),矿物表面的羟基基团数量增加。结构Fe(Ⅲ)还原降低了矿物对Cd(Ⅱ)的吸附和固持性能,Langmuir模型拟合还原后矿物对Cd(Ⅱ)的最大吸附量为23.5 mg·g-1,明显低于还原前矿物对Cd(Ⅱ)的吸附量(33.4 mg·g-1)。还原前后矿物对Cd(Ⅱ)的吸附性能均随着离子强度增大而降低,但还原矿物吸附Cd(Ⅱ)的降幅明显低于未还原矿物。黏土矿物结构Fe(Ⅲ)还原后吸附Cd(Ⅱ)的性能降低主要是由于还原过程中结构Fe(Ⅱ)迁移进入层间,抑制了吸附过程中Cd(Ⅱ)进入矿物层间。研究表明,厌氧环境中黏土矿物结构Fe(Ⅲ)显著降低了矿物对Cd(Ⅱ)的固持特性。 展开更多
关键词 黏土矿物 结构态铁 还原 吸附
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Fe基催化剂的酸性调控及其对加氢脱硫反应路径选择性的影响
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作者 李国省 李昆鸿 +6 位作者 李晓涵 尹馨蕊 邵嘉欣 郭荣 任申勇 郭巧霞 申宝剑 《燃料化学学报(中英文)》 EI CAS CSCD 北大核心 2024年第2期234-248,共15页
以Fe作为主活性金属、Zn作为助活性金属,制备了Y型分子筛改性的Fe基加氢脱硫(HDS)催化剂。采用低温氮气物理吸附、X射线衍射(XRD)、氢气程序升温还原(H_(2)-TPR)、氨气程序升温脱附(NH_(3)-TPD)、扫描电子显微镜(SEM)、X射线光电子能谱(... 以Fe作为主活性金属、Zn作为助活性金属,制备了Y型分子筛改性的Fe基加氢脱硫(HDS)催化剂。采用低温氮气物理吸附、X射线衍射(XRD)、氢气程序升温还原(H_(2)-TPR)、氨气程序升温脱附(NH_(3)-TPD)、扫描电子显微镜(SEM)、X射线光电子能谱(XPS)和吡啶红外(Py-IR)等表征方法对改性前后Fe基催化剂的形貌、孔结构、分散性、还原性、电子缺陷结构以及酸性等变化进行了研究,并使用固定床反应器对Fe基催化剂的HDS性能进行了评价。结果表明,Y型分子筛的引入提供了Bronsted(B)酸中心,使得Fe基催化剂的脱硫率提高了10.7%-34.1%。同时,B酸中心提高了催化剂的直接脱硫(DDS)反应路径的选择性。此外,B酸中心在促进DDS反应路径选择性增加的同时,抑制了预加氢脱硫(HYD)反应路径中四氢二苯并噻吩(THDBT)和六氢二苯并噻吩(HHDBT)更进一步的深度加氢,从而在保证脱硫率提升的同时又降低了氢耗。其根本原因可能是Y型分子筛的引入增强了催化剂的酸性,特别是B酸中心和活性金属之间的相互作用促进了电子转移,从而调节了Fe物种的电子缺陷结构,进而提升了催化剂的HDS性能。 展开更多
关键词 fe基催化剂 酸性 Y型分子筛 电子缺陷结构 加氢脱硫 二苯并噻吩
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Effect of quenching condition on micro inhomogeneous structure of Al-Fe-Ce amorphous alloy 被引量:1
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作者 ZHANG Lin(张林) BIAN Xiu fang(边秀房) +1 位作者 WU You shi(吴佑实) LI Hui(李辉) 《中国有色金属学会会刊:英文版》 CSCD 2000年第3期414-417,共4页
The microstructures of liquid and amorphous Al 90 Fe 5Ce 5 alloys were studied by X ray diffraction (XRD), and the crystalline behavior of the amorphous alloy was also investigated by differential scanning calorimetry... The microstructures of liquid and amorphous Al 90 Fe 5Ce 5 alloys were studied by X ray diffraction (XRD), and the crystalline behavior of the amorphous alloy was also investigated by differential scanning calorimetry (DSC). The distinct pre peaks were found on the structure factors of the liquid and amorphous alloys. The quenching temperature affects the pre peak area, but does not affect its position. The reduction of quenching temperature decreases the crystallization temperature and the activation energy of the Al Fe Ce amorphous alloy. Quenched from 1 050 ℃, a novel structure with a fine dispersion of Al nanophase particles homogeneously distributed in the amorphous matrix was obtained. And the sensitivity of the Al Fe Ce amorphous alloy to the quenching temperature reflects the micro inhomogeneity of the melt. 展开更多
关键词 Al fe CE amorphous alloys MICRO INHOMOGENEOUS structure QUENCHING temperature
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Influence of Fe_2O_3 Impurity on the Crystalline Structure of Cordierite Synthesized from Waste Aluminum Slag 被引量:3
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作者 WUWei-Qing RUANYu-Zhong YUYan 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2005年第4期483-487,共5页
The influence of Fe2O3 impurity on the crystalline structure of cordierite synthesized from waste aluminum slag is discussed. XRD and SEM techniques were employed to characterize the crystalline structure and micros... The influence of Fe2O3 impurity on the crystalline structure of cordierite synthesized from waste aluminum slag is discussed. XRD and SEM techniques were employed to characterize the crystalline structure and microstructure of each specimen. Philips X’pert plus software was used to determine the lattice parameters of each specimen. The results show that the Fe2O3 content of 0.8~1.6wt% is beneficial to the formation of cordierite, with the cordierite amount reaching 90wt%. So 0.8~1.6wt% is considered as the allowable Fe2O3 content in the specimens and 0.8wt% is determined to be the best after overall analysis. Plus software analysis shows that the cordierite in each specimen has the same symmetrical hexagonal structure as the single crystal, and the lattice parameters as well as the lattice dimensions change slightly. 展开更多
关键词 aluminum slag CORDIERITE fe2O3 impurity crystalline structure
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表面喷丸及退火处理对Fe-30Mn-3Al-3Si TWIP钢组织与性能的影响
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作者 王坤 王邦林 +5 位作者 廖兴利 卢承宏 蔡承宇 林继兴 童先 王文权 《材料保护》 CAS CSCD 2024年第5期61-67,共7页
为实现强韧化,对Fe-30Mn-3Al-3Si TWIP钢进行了表面喷丸及退火热处理。采用金相显微镜、X射线衍射仪和透射电子显微镜等手段分析了喷丸以及喷丸结合退火处理对TWIP钢显微组织结构的影响,并利用显微维氏硬度计和万能材料试验机对原始样... 为实现强韧化,对Fe-30Mn-3Al-3Si TWIP钢进行了表面喷丸及退火热处理。采用金相显微镜、X射线衍射仪和透射电子显微镜等手段分析了喷丸以及喷丸结合退火处理对TWIP钢显微组织结构的影响,并利用显微维氏硬度计和万能材料试验机对原始样品、喷丸以及喷丸结合退火处理样品的硬度分布、力学性能及加工硬化行为进行了研究。分析结果表明,喷丸可在TWIP钢表面引起强烈的塑性变形,并形成包含60~100 nm大小的位错胞块的强烈形变层和包含微纳尺度形变孪晶结构的过渡层。该纳米-微米尺度的晶粒尺寸梯度结构可以将TWIP钢表面强烈形变层的硬度显著提升至366 HV0.1,并在残余压应力联合作用下使试样的屈服强度提升至485 MPa,均远高于初始样品的对应值。但受喷丸引起的表面粗糙和强烈形变层纳米晶塑性低的影响,其断后延伸率仅为41.8%。退火处理后,喷丸样品中的形变组织发生回复与再结晶,其中强烈形变层位置的再结晶晶粒尺寸为1~3μm,硬度也降低至215 HV0.1。所形成的微米-微米尺度晶粒尺寸梯度结构试样的屈服强度降低至261 MPa,但延伸率增加至65.3%。晶粒尺寸梯度结构有助于增加TWIP钢屈服与抗拉强度,但不利于延伸率的提升。 展开更多
关键词 喷丸 退火 形变孪晶 位错 fe-30Mn-3Al-3Si TWIP钢 梯度结构
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Extended x-ray absorption fine structure study of MnFeP_(0.56)Si_(0.44) compound 被引量:3
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作者 李英杰 哈斯朝鲁 +4 位作者 乌仁图雅 宋志强 欧志强 特古斯 中井生央 《Chinese Physics B》 SCIE EI CAS CSCD 2015年第8期444-449,共6页
The Mn Fe P0.56Si0.44 compound is investigated by x-ray diffraction, magnetic measurements, and x-ray absorption fine structure spectroscopy. It crystallizes in Fe2P-type structure with the lattice parameters a = b = ... The Mn Fe P0.56Si0.44 compound is investigated by x-ray diffraction, magnetic measurements, and x-ray absorption fine structure spectroscopy. It crystallizes in Fe2P-type structure with the lattice parameters a = b = 5.9823(0) and c = 3.4551(1) and undergoes a first-order phase transition at the Curie temperature of 255 K. The Fe K edge and Mn K edge x-ray absorption fine structure spectra show that Mn atoms mainly reside at 3g sites, while 3f sites are occupied by Fe atoms. The distances between the absorbing Fe atom and the first and second nearest neighbor Fe atoms in a 3f-layer shift from 2.65 and 4.01 in the ferromagnetic state to 2.61 and 3.96 in the paramagnetic phase. On the other hand, the distance between the 3g-layer and 3f-layer changes a little as 2.66 –2.73 below the Curie temperature and2.68 –2.75 above it. 展开更多
关键词 Mn fe P0.56Si0.44 compound Mn K edge fe K edge EXAFS local structure
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Controlling the Properties of Solvent-free Fe_3O_4 Nanofluids by Corona Structure 被引量:2
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作者 Yumo Tan Yaping Zheng +1 位作者 Nan Wang Aibo Zhang 《Nano-Micro Letters》 SCIE EI CAS 2012年第4期208-214,共7页
We studied the relationship between corona structure and properties of solvent-free Fe3O4 nanofluids. We proposed a series of corona structures with different branched chains and synthesize different solvent-free nano... We studied the relationship between corona structure and properties of solvent-free Fe3O4 nanofluids. We proposed a series of corona structures with different branched chains and synthesize different solvent-free nanofluids in order to show the effect of corona structure on the phase behavior, dispersion, as well as rheology properties. Results demonstrate novel liquid-like behaviors without solvent at room temperature. Fe3O4 magnetic nanoparticles content is bigger than 8% and its size is about 23 nm. For the solvent-free nanofluids,the long chain corona has the internal plasticization, which can decrease the loss modulus of system, while the short chain of corona results in the high viscosity of nanofluids. Long alkyl chains of modifiers lead to lower viscosity and better flowability of nanofluids. The rheology and viscosity of the nanofluids are correlated to the microscopic structure of the corona, which provide an in-depth insight into the preparing nanofluids with promising applications based on their tunable and controllable physical properties. 展开更多
关键词 Corona structure fe3O4 nanoparticles Liquid-like behavior Solvent-free nanofluids
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STRUCTURE FORMATION OF UNDERCOOLED Fe-30Ni ALLOY 被引量:10
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作者 J.F. Li, J.G. Li, X.P. Zhang and Y.H. Zhou (School of Materials Science and Engineering, Shanghai Jiao Tong University , Shanghai 200030, China) 《Acta Metallurgica Sinica(English Letters)》 SCIE EI CAS CSCD 2000年第5期1029-1033,共5页
Bulk Fe-30Ni alloy melt was nudercooled up to 337K by combining the glass fluxing technique with superheating-cooling cycle. Grain refinement at low undercoolings was observed in the experiment in addition to that at ... Bulk Fe-30Ni alloy melt was nudercooled up to 337K by combining the glass fluxing technique with superheating-cooling cycle. Grain refinement at low undercoolings was observed in the experiment in addition to that at high undercoolings. The current grain refinement mechanisms were examined, and it is concluded that the refined gains are all developed from dendrites, however the grain refinement at low undercoolings is due to chemical superheating, while that at high undercoolings due to rapid solidification contruction. 展开更多
关键词 fe-Ni alloy UNDERCOOLING solidification structure
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Magnetic properties and structure of Ni_80Fe_20/Ni_48Fe_12Cr_40 bilayer films deposited on SiO_2/Si(100) by electron beam evaporation 被引量:1
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作者 WU Ping GAO Yanqing QIU Hong PAN Liqing TIAN Yue Wang Fengping 《Rare Metals》 SCIE EI CAS CSCD 2007年第2期176-181,共6页
Ni80Fe20/Ni48Fe12Cr40 bilayer films and Ni80Fe20 monolayer films were deposited at room temperature on SiO2/Si(100) substrates by electron beam evaporation. The influence of the thickness of the Ni48Fe12Cr40 underla... Ni80Fe20/Ni48Fe12Cr40 bilayer films and Ni80Fe20 monolayer films were deposited at room temperature on SiO2/Si(100) substrates by electron beam evaporation. The influence of the thickness of the Ni48Fe12Cr40 underlayer on the structure, magnetization, and magnetoresistance of the Ni80Fe20/Ni48Fe12Cr40 bilayer film was investigated. The thickness of the Ni48Fe12Cr40 layer varied from about 1 nm to 18 nm while the Ni80Fe20 layer thickness was fixed at 45 nm. For the as-deposited bilayer films the introducing of the Ni48Fe12Cr40 underlayer promotes both the (111) texture and grain growth in the Ni80Fe20 layer. The Ni48Fe12Cr40 underlayer has no significant influence on the magnetic moment of the Ni80Fe20/Ni48Fe12Cr40 bilayer film. However, the coercivity of the bilayer film changes with the thickness of the Ni48Fe12Cr40 undedayer. The optimum thickness of the Ni48Fe12Cr40 underlayer for improving the anisotropic magnetoresistance effect of the Ni80Fe20/Ni48Fe12Cr40 bilayer film is about 5 nm. With a decrease in temperature from 300 K to 81 K, the anisotropic magnetoresistance ratio of the Ni80Fe20 (45 nm)/Ni48Fe12Cr40 (5 nm) bilayer film increases linearly from 2.1% to 4.8% compared with that of the Ni80Fe20 monolayer film from 1.7% to 4.0%. 展开更多
关键词 Ni80fe20 films Ni48fe12Cr4o seed layer structure magnetic properties
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γ-Fe中氢扩散行为的第一性原理研究
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作者 汤伟杰 王红英 李志军 《原子与分子物理学报》 北大核心 2024年第3期135-143,共9页
不锈钢中氢脆问题一直是研究者们关注热点,然而至今为止,对于钢中合金元素及空位与H原子之间的作用机理依然不清晰.采用第一性原理方法研究了H原子在不同体系下γ-Fe(Fe8H、Fe7Cr/MoH、Fe7H)的扩散激活能、扩散系数以及扩散过渡态,对比... 不锈钢中氢脆问题一直是研究者们关注热点,然而至今为止,对于钢中合金元素及空位与H原子之间的作用机理依然不清晰.采用第一性原理方法研究了H原子在不同体系下γ-Fe(Fe8H、Fe7Cr/MoH、Fe7H)的扩散激活能、扩散系数以及扩散过渡态,对比了H原子在不同体系γ-Fe中的扩散难易程度,并从电子结构层次解释其相互作用.研究结果表明,空位的存在会改变H原子在γ-Fe中的扩散路径.在含空位的晶胞中H原子稳定存在于空位附近的近四面体间隙中,并沿空位附近的四面体间隙或八面体到四面体间隙路径扩散.γ-Fe中空位对H原子的影响是局域性的,一方面是捕获H原子的陷阱;另一方面降低了H原子的扩散激活能,促进H原子的扩散.而Cr/Mo的掺杂会降低空位对H原子的束缚,也会抑制H原子的扩散. 展开更多
关键词 第一性原理 氢扩散 γ-fe 扩散激活能 电子结构
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Structure of the Panzhihua intrusion and its Fe-Ti-V deposit,China 被引量:4
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作者 Arnaud Pecher Nicholas Arndt +3 位作者 Alexander Jean Arthur Bauville Clement Ganino Charlotte Athurion 《Geoscience Frontiers》 SCIE CAS CSCD 2013年第5期571-581,共11页
The Panzhihua intrusion in southwest China is part of the Emeishan large igneous province and host of a large Fe-Ti-V ore deposit.In previous interpretations it was considered to be a layered,differentiated sill with ... The Panzhihua intrusion in southwest China is part of the Emeishan large igneous province and host of a large Fe-Ti-V ore deposit.In previous interpretations it was considered to be a layered,differentiated sill with the ore deposits at its base.New structural and petrological data suggest instead that the intrusion has an open S-shape,with two near-concordant segments joined by a discordant dyke-like segment. During emplacement of the main intrusion,multiple generations of mafic dykes invaded carbonate wall rocks,producing a large contact aureole.In the central segment,magmatic layering is oriented oblique to the walls of the intrusion.This layering cannot have formed by crystal settling or in-situ growth on the floor of the intrusion;instead we propose that it resulted from inward solidification of multiple,individually operating,convection cells.Ore formation was triggered by interaction of magma with carbonate wall rocks. 展开更多
关键词 fe-Ti-V deposit INTRUSION structure SKARN Tectonics
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Structure and Magnetic Properties of Fe_(76.5)Si_(13.5)B_9Cu_1 Alloy with Nanoscale Grain Size 被引量:1
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作者 Fei ZHOU Kaiyuan HE Lizhi CHENG and Zuhan LAI(Dept. of Materials Science and Engineering, Northeastern University, Shenyang, 110006, China)( Dept. of Phys., Northeastern University) 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 1994年第6期430-434,共5页
The structure and magnetic properties of Fe76.5Si13.5B9Cu1 alloys with a nanocrystalline (NC) bcc Fe(Si) phase trom about 23 to 46 nm in diameter, which were first formed into amorphous ribbons and then annealed at va... The structure and magnetic properties of Fe76.5Si13.5B9Cu1 alloys with a nanocrystalline (NC) bcc Fe(Si) phase trom about 23 to 46 nm in diameter, which were first formed into amorphous ribbons and then annealed at various temperatures between 703 and 773 K, have been investigated. At annealing temperatures from 703 to 748 K, the single NC bcc(Si) phase is obtained in the crystallized alloys. The grain size and the Si-content in the NC bcc Fe(Si) phase for the alloys annealed at different temperatures are presented. The soft magnetic properties and the saturation magnetostriction for the alloys with the NC bcc Fe(Si) phase are also measured. The results show that, the saturation magnetizotion and the permeability are improved for the alloys with only the NC bcc Fe(Si) phase and become better with decreasing of the NC bcc phase size, and the saturation magnetostriction declines for the alloys with increasing Si-content in the NC bcc Fe(Si) phase. 展开更多
关键词 SI structure and Magnetic Properties of fe B9Cu1 Alloy with Nanoscale Grain Size Cu
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基于纳米压痕和FE-SEM技术探究页岩页理结构对其微——宏观力学行为的影响
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作者 解馨慧 邓虎成 +4 位作者 胡蓝霄 何建华 李瑞雪 毛金盺 李柏洋 《地质论评》 CAS CSCD 北大核心 2024年第S01期319-322,共4页
页岩颗粒具有多变的几何形状与复杂的排列组合方式,在宏、细及微观尺度上分别体现为层理、层偶及颗粒的定向排列结构。笔者等以鄂尔多斯盆地长7页岩为研究对象,基于大量的扫描电镜图像确立了颗粒粒度分布分形维数、颗粒与孔隙定向分形... 页岩颗粒具有多变的几何形状与复杂的排列组合方式,在宏、细及微观尺度上分别体现为层理、层偶及颗粒的定向排列结构。笔者等以鄂尔多斯盆地长7页岩为研究对象,基于大量的扫描电镜图像确立了颗粒粒度分布分形维数、颗粒与孔隙定向分形维数等刻画页岩颗粒定向排列的指标. 展开更多
关键词 纳米压痕 fe-SEM技术 页岩页理结构 力学性质
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Mechanism and Microstructure of Electroless Ni-Fe-P Plating on CNTs 被引量:7
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作者 XUE Ru-jun WU Yu-cheng 《Journal of China University of Mining and Technology》 EI 2007年第3期424-427,共4页
Electroless Ni-Fe-P alloy plating on the surface of CNTs was carried out with a bath using citrate salt and lactic acid as complex agents. We proposed a chemical reaction mechanism. The morphology,structure and chemic... Electroless Ni-Fe-P alloy plating on the surface of CNTs was carried out with a bath using citrate salt and lactic acid as complex agents. We proposed a chemical reaction mechanism. The morphology,structure and chemical composition of the Ni-Fe-P/CNTs were studied with the aid of a scanning electronic microscope (SEM),X-ray diffrac-tion (XRD) and an energy-dispersive X-ray spectral analysis (EDS). The results show that through a correct pre-treatment and electroless plating,Ni-Fe-P/CNTs composite particles can be obtained. The optimum electroless plat-ing parameters of 35-42 ℃ and pH of 8.5-9.7 were achieved. The as-plated Ni-Fe-P alloy is amorphous. After a heat treatment at 500 ℃ for 90 min in H2,the coating is transformed into crystalloid Ni3P,Fe2NiP and (Fe,Ni)3P. The Ni-Fe-P alloy coating on the surface of CNTs is smooth and unique. The amount of Ni on the surface (mass fraction) of the Ni-Fe-P/CNTs composite particles is 29.13%,that of Fe 3.19% and that of P 2.28%. 展开更多
关键词 碳纳米管 NI-fe-P合金 电镀 微观结构
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绿脱石结构Fe(Ⅲ)还原程度对氧化过程·OH形成及有机质矿化的影响
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作者 肖艳琦 符俊宏 +3 位作者 刘细祥 廖文娟 张娜 崔浩杰 《农业环境科学学报》 CAS CSCD 北大核心 2024年第5期1056-1066,共11页
土壤和沉积物有氧-无氧界面黏土矿物结构Fe(Ⅱ)氧化产生的羟自由基(·OH)在有机物质转化过程中具有重要作用。土壤和沉积物黏土矿物结构Fe(Ⅲ)的还原程度会随环境条件变化而不同,然而,关于含铁黏土矿物还原程度[Fe(Ⅱ)/Fe总]对氧化... 土壤和沉积物有氧-无氧界面黏土矿物结构Fe(Ⅱ)氧化产生的羟自由基(·OH)在有机物质转化过程中具有重要作用。土壤和沉积物黏土矿物结构Fe(Ⅲ)的还原程度会随环境条件变化而不同,然而,关于含铁黏土矿物还原程度[Fe(Ⅱ)/Fe总]对氧化过程中·OH的形成及有机质矿化的影响尚不明确。本研究以富铁绿脱石为黏土矿代表,研究了不同还原程度绿脱石[Fe(Ⅱ)/Fe总:15%、22%、39%和56%]有氧氧化产生·OH的机制及该过程对溶解性有机质(DOM)转化的差异。结果表明,当不同还原程度绿脱石的悬浊液体系中结构Fe(Ⅱ)浓度为2.2 mmol·L^(-1)时,随着还原程度从15%增加到56%,其氧化120 min后·OH的累积浓度从13.6μmol·L^(-1)增加到27.1μmol·L^(-1),单位O_(2)转化为·OH的效率从3.3%提高到5.9%。傅里叶变换红外光谱(FTIR)、氮蓝四唑(NBT)猝灭实验和2,2′-联吡啶(BPY)钝化边缘反应位点的结果证明了还原程度为15%的绿脱石主要存在二八面体Fe(Ⅱ)[Al-Fe(Ⅱ)],并在边缘位点活化O2产生·OH;而还原程度为56%的绿脱石除二八面体Fe(Ⅱ)外,还存在高活性三八面体[Fe(Ⅱ)-Fe(Ⅱ)-Fe(Ⅱ)],底面位点和边缘位点均可活化O_(2)产生·OH,并且O2在底面位点还原形成·OH效率更高。氧化过程中·OH矿化溶解性有机质(DOM)形成CO_(2)的含量随绿脱石的还原程度的升高而升高。因此,与低还原程度绿脱石(15%)相比,高还原程度的绿脱石(56%)存在高活性三八面体并能从底面位点形成·OH从而提高了·OH生成的效率并进一步促进了DOM的矿化。 展开更多
关键词 绿脱石 结构二价铁 还原程度 羟自由基(·OH) 天然DOM转化
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