合金元素对Sm2（Fe,M）,17Nγ磁性的影响

采用机械破碎与氢破碎和氮气－固相反应法制得了Sm2(Fe,M)17Ny化合物粉末及粉末压结体，研究了金属钐含量，过渡元素（M＝Co,Cr,V,Mn,Zr,Si,Ga)部分取代铁时对Sm2(Fe1-xMx)17Ny粉末压结体磁性能的影响，结果表明：铬，镓能显著提高粉末的矫顽力，Sm2(Fe0.017Ga0.983)17Ny粉末压结体的矫顽力达到iHc=2000kA/m。     

机械破碎烧结NdFeB制取粘结用磁粉

本文研究了机械破碎Nd_(15)Fe_(78)B_7和(Nd_(0.8)Dy_(0.2))_(15)Fe_(62)Co_(15)B_8磁粉的粒度,球磨时间和热处理对其矫顽力的影响.同时,通过两级热处理(890℃×1h+580℃×1h)使机械破碎造成的矫顽力下降得到一定程度的恢复,在粗破碎平均粒度为350μm时,矫顽力恢复到570kA/m,达到了制备粘结永磁体可以接受的水平.     

Sm_2(Zr_(0.7)Ce_(0.3))_2O_7纳米热障涂层材料的制备及其热物性能研究

Sm_2(Zr_(0.7)Ce_(0.3))_2O_7是一种三元稀土氧化物材料,具有耐腐蚀性能好、熔点高、热导率低、热稳定性良好等优点,在热障涂层领域有着潜在的应用前景.以Sm_2O_3,ZrOCl_2·8H_2O和Ce(NO_3)3·6H_2O为原材料,通过水热合成法制备了Sm_2(Zr_(0.7)Ce_(0.3))_2O_7是纳米材料,并与同样方法制备的Sm_2Zr_2O_7的相关性能进行了对比.通过TG-DSC、XRD、Raman、SEM等测试手段对材料的热行为、相结构、晶粒尺寸和形貌等参数进行了表征.结果表明:Sm_2(Zr_(0.7)Ce_(0.3))_2O_7纳米材料在高温热处理后为烧绿石结构,初始样品的晶粒尺寸为5.43 nm,比表面积为103.11 m2g~(-1).同时对热导率、热膨胀系数等热物性能进行了研究,其热导率为1.04 W m~(-1)K~(-1),热膨胀系数为10.86×10~(-6)K~(-1),这些性能均满足热障涂层的标准.与Sm_2Zr_2O_7相比,Sm_2(Zr_(0.7)Ce_(0.3))_2O_7具有更优异的性能,是一种具有广泛应用前景的纳米热障涂层材料.     

四核链型M—Fe—S（M=Mo,W）原子簇化合物的成键特征

用MAD—SCC—EHMO法计算了3个4核链型M—Fe—S(M=Mo,W)原子簇化合物[Fe_2S_2(MoS_4)_2]~(4-)、[Fe_2S_2(MoS_2O_2)_2]~(4-)和[Fe_2S_2(WS_4)_2]~(4-)的电子结构,根据计算所得的分子轨道能级、轨道特征和Mulliken约化重叠集居等数据,对其成键性质进行了分析。指出了在簇合物的成簇过程中,由于电子从Fe原子转移到M原子,使得簇合物中M的表观氧化态低于碎片M_2S_2X_2~(2-)中M的表观氧化态,本文还根据Mulliken约化重叠集居和电荷密度变化的分析,给出簇合物电子的离域性顺序([Fe_2S_2(MoS_4)_2]~(4-)>[Fe_2S_2(MOS_2O_2)_2]~(4-)>[Fe_2S_2(WS_4)_2]~(4-))。     

Evaluation of Ca3(Co,M)2O6 (M=Co, Fe, Mn, Ni) as new cathode materials for solid-oxide fuel cells

Series compounds Ca_3(Co_(0.9)M_(0.1))_2O_6(M = Co,Fe,Mn,Ni) with hexagonal crystal structure were prepared by sol-gel route as the cathode materials for solid oxide fuel cells(SOFCs).Effects of the varied atomic compositions on the structure,electrical conductivity,thermal expansion and electrochemical performance were systematically evaluated.Experimental results showed that the lattice parameters of Ca_3(Co_(0.9)Fe_(0.1))_2O_6and Ca_3(Co_(0.9)Mn_(0.1))_2O_6 were both expanded to certain degree.Electron-doping and hole-doping effects were expected in Ca_3(Co_(0.9)Mn_(0.1))_2O_6and Ca_3(Co_(0.9)Ni_(0.1))_2O_6 respectively according to the chemical states of constituent elements and thermal-activated behavior of electrical conductivity.Thermal expansion coefficients(TEC) of Ca_3(Co_(0.9)M_(0.1))_2O_6 were measured to be distributed around 16×10~(-6)K~(-1) and compositional elements of Fe,Mn,and Ni were especially beneficial for alleviation of the thermal expansion problem of cathode materials.By using Ca_3(Co_(0.9)M_(0.1))_2O_6 as the cathodes operated at 800 ℃,the interfacial area-specific resistance varied in the order of M = Co M = Fe M = Ni M = Mn,and the over-potential increased in the order of M = Fe ≈ M = Co M = Mn M = Ni.Among all of these compounds,Ca_3(Co_(0.9)Fe_(0.1))_2O_6 showed the best electrochemical performance and the power density as high as ca.500 mW cm~(-2) at800 ℃ achieved in the single cell with La_(0.8)Sr_(0.2)Ga_(0.83)Mg_(0.17)O_(2.815) as electrolyte and Ni-Ce_(0.8)Sm_(0.2)O_(1.9) as anode.Ca_3(Co_(0.9)M_(0.1))_2O_6(M = Co,Fe,Mn,Ni) can be used as the cost-effective cathode materials for SOFCs.     

(Fe Cr)_(83)B_(17)非晶合金结构及其晶化相变的研究

本文用DTA和X射线衍射技术,研究了(FeCr)_(83)B_(17)非晶合金晶化相变全过程。说明该非晶体系的晶化相变过程中,原子键力是晶化相变的驱动力。从“t-x”关系表明,在我们实验条件下(x=5％,15％,25％),高熔点的Cr含量(x)增大所引起晶化峰位向高温方向增大值具有良好的线性关系。实验指出,(Fe_(1-x)Cr_x)_(83)B_(17)非晶合金淬火态的结构单元是Fe_3B局域9原子多面体结构的原子团。     

Ba_(0.5)Sr_(0.5)Co_(0.8)Fe_(0.2)O_(3-δ)阴极材料制备与性能表征

凝胶浇注法制备了阴极材料Ba_(0.5)Sr_(0.5)Co_(0.8)Fe_(0.2)O_(3-δ),并对Ba_(0.5)Sr_(0.5)Co_(0.8)Fe_(0.2)O_(3-δ)材料的性能进行分析。制备的Ba_(0.5)Sr_(0.5)Co_(0.8)Fe_(0.2)O_(3-δ)为钙钛矿相,其颗粒粒度小,并且尺寸均匀。将粉末在1000℃下烧结,所得烧结体的孔隙率为29.86%。在500~800℃温度范围内测试,测试温度升高,电导率降低,在500℃时电导率最大为38.2 S/cm。阴极Ba_(0.5)Sr_(0.5)Co_(0.8)Fe_(0.2)O_(3-δ)与电解质Sm_(0.2)Ce_(0.8)O_(1.9)做成阴极对称单电池,在800℃时测得欧姆阻抗和界面阻抗分别为1.92Ω·cm~(-2)和0.17Ω·cm~(-2),阴极BSCF与电解质SDC的化学相容性好。     

胡椒醛缩氨基硫脲与钴(Ⅱ)、镍(Ⅱ)、铜(Ⅱ)和镉(Ⅱ)配合物的合成与性质研究

本文报道胡椒醛缩氨基硫脲(HBTS)与钴(Ⅱ)、镍(Ⅱ),铜(Ⅱ)和镉(Ⅱ)配合物的合成方法,合成了五个新配合物M(BTS)_2·nH_2O[M=Co(Ⅱ)、Ni(Ⅱ)、Cu(Ⅱ)和Cd(Ⅱ);n=0～3]和Cu(BTS)Ac·3H_2O。通过元素分析、红外光谱、紫外可见光谱、摩尔电导、磁矩、~1H核磁共振谱、x一射线粉末衍射和差热分析等表征了配合物的组成和性质。     

B含量对Fe_(91-x)Zr_7Mo_2B_x(x=10,12,14)合金的微观结构、热性能和磁性能的影响

采用单辊快淬法制备Fe_(91-x)Zr_7Mo_2B_x(x=10,12,14)非晶合金,在不同温度下对三种合金进行退火热处理.利用X射线衍射仪(XRD)、示差热分析仪(DSC)和振动样品磁强计(VSM)等测试方法对样品的微观结构、热性能及磁性能进行研究.结果表明:Fe_(91-x)Zr_7Mo_2B_x(x=10,12,14)三种合金第一个晶化峰的激活能分别是479.7、330.3和363.6 kJ/mol,Fe_(81)Zr_7Mo_2B_(10)合金的热稳定性最好;三种合金具有不同的晶化过程;Fe_(91-x)Zr_7Mo_2B_x(x=10,12,14)三种合金的矫顽力(H_c)随退火温度的升高变化复杂.     

Sm(CobalFe0.1CuxZr0.033)7.4(x=0.06,0.08,0.10)永磁体的磁性能

以粉末冶金法制备了2∶17型Sm(Cobal Fe0.1 CuxZr0.033)7.4 (x=0.06,0.08,0.10)永磁体,研究了Cu含量对Sm(Cobal Fe0.1CuxZr0.033)7.4永磁合金的退磁曲线、磁能积、矫顽力、矫顽力温度系数等的影响.结果发现,Cu含量超过0.08以后会导致磁体的退磁曲线方形度降低,并进而导致磁体的磁能积降低;同时发现提高Cu含量,有利于提高2∶17型Sm(Cobal Fe0.1CuxZr0.033)74永磁体的室温及高温500℃的矫顽力,但高Cu含量也会导致矫顽力温度系数增大,使矫顽力在高温下衰减较快,这表明2∶17型SmCo永磁体的矫顽力与Cu元素的微化学成分分布密切相关.     

Sm2Fe17化合物的吸氮反应研究

通过X-射线衍射、差热-热重（DTA-TG）联用仪以及磁测量等手段,研究了Sm2Fe17化合物吸氮后的相结构及居里温度的变化行为.X-射线衍射表明,吸氮后Sm2Fe17化合物的衍射峰向小角度方向偏移,并且出现了α-Fe的衍射峰,这说明吸氮后化合物的晶胞有所膨胀,并且化合物有一定的分解,产生了α-Fe.差热-热重分析表明,在温度为700 K左右时Sm2Fe17化合物的吸氮反应最剧烈,吸氮以后化合物的居里温度TC有显著的提高;而且随着温度的继续升高,在吸氮反应的同时,Sm2Fe17Nx化合物不稳定,部分分解为SmN化合物和α-Fe.实验结果分析表明,该化合物在1 473 K以下时,只存在Th2Zn17型结构,不存在Th2Ni17型结构.     

Sm2Fe17化合物中Ga替代效应的理论分析

用单离子模型计算了Ｓｍ２Ｆｅ１７－ｘＧａｘ中的晶场，给出了晶场系数随Ｇａ含量的变化关系。在晶场和交换作用近似下，计算了体系的自由能随Ｇａ含量和温度的变化关系，用最小二乘法拟合自由能给出各向异性常数Ｋ，Ｋ２从而得到各向异性场Ｂａ。计算结果与实验中的规律基本符合。     

晶粒尺寸和热处理对Sm2Fe17N3/Fe3N/BN软磁/硬磁复合材料的合成及磁性能影响

采用高能球磨和真空热处理方法制备Sm2Fe17N3/Fe3N/BN复合材料, 并研究球磨过程中晶粒尺寸变化对固态相变和磁性能的影响.  结果表明: Sm2Fe17N3和Fe3N相产生的条件是Fe的晶粒尺寸达到纳米量级（D＜80 nm）并形成Fe(Sm)固溶体; 随着退火时间的增加, 300 ℃真空退火的球磨样品中Sm2Fe17N3的结晶物增多, 矫顽力提高, 表明样品的磁性能与Sm2Fe17N3的结晶程度有关.     

制备高矫顽力Sm2Fe17Nx磁粉的氮化工艺与性能研究

Ｓｍ２Ｆｅ１７Ｎｘ是一种具有优异内禀磁性的永磁材料,但其对制备工艺参数相当敏感,不易稳定地制取高性能的Ｓｍ２Ｆｅ１７Ｎｘ．因此,作者根据其特点,研究了氮化工艺参数与磁性能之间的关系,避免氮化过程中软磁相的产生和Ｓｍ２Ｆｅ１７Ｎｘ的分解,以确立一种既经济又能稳定制取高性能Ｓｍ２Ｆｅ１７Ｎｘ的氮化工艺     

Y_2(Fe_(1-x)Ga_x)17化合物的Mssbauer效应研究

用穆斯堡尔效应研究了Ｙ２Ｆｅ１７化合物中，用Ｇａ取代部分Ｆｅ之后，材料的性质变化规律．实验结果表明，在Ｙ２（Ｆｅ１－ｘＧａｘ）１７中，其结构随ｘ的增加发生从Ｔｈ２Ｎｉ１７相到Ｔｈ２Ｚｎ１７相的转变；晶格常数随ｘ的增加而增加；居里温度，超精细场都在Ｔｈ２Ｎｉ１７，Ｔｈ２Ｚｎ１７混和相附近有极大值；Ｇａ原子优先取代１２ｋ（１８ｈ）晶位Ｆｅ原子．     

Atomistic simulation of rare earth-transition intermetallic compounds derived from CaCu5 type

The rare earth(R)-transition metal(M) compounds are important subjects of new functional materials. In this paper, first we review the transformation relations between R-M compounds (Rn-mM5n+2m) derived from CaCu5 type structure, and discuss their validity and limitations. Then we calculate the lattice parameters and crystal structures of five binary compounds, SmFe5, Sm2Fe17(H), Sm2Fe17(R), SmFe12(t), and Sm3Fe29 by energy minimization. With above results, we get the vector transformation matrix in reciprocal space in comparison with the traditional transformation matrix and analyze the reason for their similarity and difference. Finally, we discuss the stable effect of the third elements Cr, Ti to Sm3Fe29. The third elements also change the lattice parameters and the materials' X-rays diffraction pattern. The tradition matrix cannot reflect these differences.     

应用MFT分析R_2Fe_(17-x)M_x(R=Pr,Nd;x=0.2;M=Al,Ga)合金的磁性

用两亚点阵ＭＦＴ分析了Ｒ２Ｆｅ１７－ｘＭｘ合金的饱和磁化强度与温度的关系。得到了分子场系数ｎＲＲ、ｎＲＦ和ｎＦＦ，计算出了居里温度，给出了分子场ＨＲ（Ｔ）、ＨＦｅ（Ｔ）与温度的关系曲线。计算结果表明，在Ｒ２Ｆｅ１７中用Ａｌ、Ｇａ替代部分Ｆｅ离子后，分子场系数ｎＦＦ明显增大，除Ｐｒ２Ｆｅ１７的ＨＲ（Ｔ）外，分子场强度在很大温度范围内显著增加     

Effect of heat treatment on magnetostriction and order-disorder transition of Fe83Ga17

Effect of heat treatment on magnetostrictive properties and order-disorder transition of 〈110〉-oriented polycrystal Fe83Ga17 alloys is investigated. It is found that magnetostriction and order degree of Fe83Ga17 alloys are very sensitive to cooling rate. Variation of magnetostriction is discussed in terms of order-disorder transition. Under compressive stress of 20 Mpa, saturation strain λs of partially ordered Fe83Ga17 alloys quenched into water reaches 298×10-6.     

Sm2Fe17Cx化合物磁晶各向异性计算

用单离子模型计算了不同温度下Sm2Fe17Cx化合物磁晶各向异性场，结果与实验基本吻合.这表明用单离子理论解释Sm2Fe17Cx磁晶各向异性是比较成功的.     

Electronic structure and magnetism of compound Nd_2Fe_(17)N_3

The electronic structure and magnetism of compound Nd\-2Fe 17 N\-3 has been studied with MS_Xα method. It was found that there are negative exchange couplings between Fe(f) and Fe(c) atoms in Nd\-2Fe 17 N x compounds. The interstitial N atoms make the unit cell volume of the compounds increase a little, and hence the strength of negative exchange coupling decreases.