Kinetics aggregation of magnetic suspensions

We present results of theoretical and computer studies of the kinetics of chain-like aggregate formation in suspensions of non-Brownian magnetizable particles. An analytical model for calculation of the time-dependent function of distribution over chain size is suggested. This model describes the evolution of the chain structure due to the chain-chain aggregation. In order to verify this model we have compared it with the results of computer simulations of a two-dimensional model of this suspension. Results of computer simulations and of the analytical model are in reasonable agreement up to 5% of the surface concentration of the particles.     

InC_n~-(n=1-10)团簇结构和磁性的理论研究

采用密度泛函理论(DFT)的B3LYP方法,在LANL2DZ水平下系统研究了碳基混合团簇InC_n~-(n=1-10)的结构、稳定性和磁性.同时,分析了基态结构的电子态、最低振动频率、总能量、自旋污染期望值、偶极距、转动常数等.计算结果表明:团簇的最稳定构型是In原子位于一端的直线型或准直线型结构;n为偶数的团簇的基态是单态,n为奇数的团簇的基态是三重态.通过对增量结合能和能量二阶差分的计算得出:随着团簇尺寸的增加,团簇的稳定性表现出强烈的奇弱偶强振荡规律;电子亲和势EAad的计算结果进一步证实了这种振荡规律的正确性.通过对系列团簇基态的磁性分析得到的结论是:团簇的磁矩随团族尺寸的增加呈现出明显的奇强偶弱的振荡特性.     

On the influence of the hydrodynamic interactions on the aggregation rate of magnetic spheres in a dilute suspension

Magnetostatic attraction may lead to formation of aggregates in stable colloidal magnetic suspensions and magneto-rheological suspensions. The aggregation problem of magnetic composites under differential sedimentation is a key problem in the control of the instability of non-Brownian suspensions. Against these attractive forces are the electrostatic repulsion and the hydrodynamic interactions acting as stabilizing effects to the suspension. This work concerns an investigation of the pairwise interaction of magnetic particles in a dilute sedimenting suspension. We focus attention on suspensions where the Péclet number is large (negligible Brownian motion) and where the Reynolds number (negligible inertia) is small. The suspension is composed of magnetic micro-spheres of different radius and density immersed in a Newtonian fluid moving under the action of gravity. The theoretical calculations are based on direct computations of the hydrodynamic and the magnetic interactions among the rigid spheres in the regime of low particle Reynolds number. From the limiting trajectory in which aggregation occurs, we calculate the collision efficiency, representing the dimensionless rate at which aggregates are formed. The numerical results show clear evidence that the hydrodynamic interactions are of fundamental relevance in the process of magnetic particle aggregation. We compare the stabilizing effects between electrostatic repulsion and hydrodynamic interactions.     

磁性ICF靶丸的化学镀工艺制备与表征

 采用化学镀工艺在ICF聚苯乙烯靶丸表面包覆了一层磁性的Ni-P合金镀层,并分别用扫描电子显微镜、能谱仪、X射线衍射仪以及振动样品磁强计对其形貌、组成、结构和磁性能进行了表征。结果表明：通过化学镀工艺制备的Ni-P合金镀层厚度约为4 μm,且为非晶结构,并具有一定的磁性;该磁性ICF靶丸可望用来进行磁悬浮实验研究。最后,对聚苯乙烯靶丸表面磁性涂层的制备机理进行了讨论。     

ICF玻璃靶丸化学镀磁性Ni-P涂层的研究

 采用化学镀方法对ICF空心玻璃微球靶丸进行处理,使其表面均匀包覆一层磁性Ni-P合金镀层,从而使得ICF玻璃靶丸具有一定的磁性,可望用于进行磁悬浮ICF定位打靶实验研究。用X射线衍射仪、扫描电子显微镜和振动样品磁强计对涂层的组成、结构、形貌及磁性能进行了表征。结果表明：对 ICF玻璃靶丸进行化学镀处理,其球形度、同心度和壁厚均匀性都与化学镀前未发生明显改变,其饱和磁化强度和矫顽力分别为3.883×10^-3 A/g和1.046×^-3 T。     

Ab Initio Study of Iron and Cr/Fe(001)

In the present paper interfacial mixing of a thin chromium overlayer on bcc iron is studied. The calculations are performed in the framework of a pseudo-potential technique using the generalized gradient approximation for the exchange-correlation functional. Although Fe and Cr do not alloy in the bulk system at low temperatures, strong intermixing effects have been observed with Auger spectroscopy, if Cr is epitaxially grown on bcc Fe(001). Besides these structural effects we discuss the magnetic structure of the interface. It can be shown that the results are in good agreement with the experimental findings of Pfandzelter et al. ( Phys. Rev. B , 54 , 4496, 1996), provided we allow for lattice relaxation. Additionally, the structural and magnetic properties of iron investigated by the pseudo-potential method are compared to our former full potential results.     

磁性粒子浓悬浮体系沉降稳定性的光学表征

报道一种新的磁性粒子浓悬浮体系沉降稳定性的表征方法。对均匀分散的磁性粒子浓悬浮体系,采用定时光度测量法对其沉降稳定性进行表征,可以得到一定时间内粒子沉降的定量数据。此方法可用于低体积分散磁流变液沉降稳定性的表征。同时,对比分析表明,在磁性粒子浓悬浮体系中加入纳米级TiO2粒子,能使制备的磁流变液稳定性显著增强。     

Magnetic properties of ferrocholesterics with soft particle anchoring

The influence of the external magnetic field on the orientational structure and magnetic properties of the ferrocholesteric is analyzed. A soft homeotropic coupling between the magnetic particles and the cholesteric molecules is assumed. The diamagnetic anisotropy of the matrix is chosen to be positive. In this case, the dipolar and quadrupolar mechanisms of orientational interaction with the external field compete with each other. The field being applied normal to the helix. Using the continuum theory, the occurrence of magnetic-field-induced ferrocholesteric–ferronematic transition is studied. The transition field as a function of the material parameters of a ferrocholesteric is found. It is shown that rising the field strength in the ferronematic phase leads to a change in the coupling between the particles and the director from homeotropic to planar one. A study on the structure of the domain walls in ferronematic phase is undertaken.     

Kinetics of internal structures growth in magnetic suspensions

The kinetics of aggregation of non Brownian magnetizable particles in the presence of a magnetic field is studied both theoretically and by means of computer simulations. A theoretical approach is based on a system of Smoluchowski equations for the distribution function of the number of particles in linear chain-like aggregates. Results obtained in the two dimensional (2D) and three dimensional (3D) models are analyzed in relation with the size of the cell, containing the particles, and the particle volume fraction φ$\phi$. The theoretical model reproduces the change of the aggregation kinetics with the size of the cell and with the particle volume fraction as long as the lateral aggregation of chains is negligible.     

Electronic and Magnetic Properties of Ferromagnet-Semiconductor Heterostructure Systems

The electronic and magnetic properties of ferromagnet-semiconductor (FM-SC) heterostructure systems have been studied by means of scalar-relativistic KKR-CPA band structure calculations. As a structural model for our calculations periodic multilayer systems have been assumed, taking for the ferromagnet Fe and for the semiconductor GaAs. A justification for the applicability of this geometrical model in describing the electronic and magnetic properties of the real Fe-GaAs-Fe trilayer system is given. Making use of the Coherent Potential Approximation (CPA), the influence of interdiffusion at the Fe-GaAs interface within the multilayer system has been investigated in addition. On the basis of the electronic structure calculations, the magnetic circular X-ray dichroism (MCXD) has been investigated for the L 3 -edges absorption spectra of Ga and As in the near-edge regime (XANES). In both cases the MCXD signal was found to be pronounced enough to be detectable and should motivate corresponding experimental studies.     

Magneto-optical study of magnetite nanoparticles prepared by chemical and biomineralization process

This paper deals with a magneto-optical study of suspensions of magnetosomes. These magnetosomes are synthesized by biomineralization process of magnetotactic bacteria, followed by steps of isolation and purification in order to obtain stable suspensions. The structural analysis evidences the good crystallinity of the magnetite particles with a diameter of 34 nm. Magneto-induced linear and circular anisotropy confirms the important role played by the chains in the orientation mechanism of such magnetic dipoles. Numerical adjustments of the linear anisotropy curves using a classical Langevin orientation model give the average number of magnetosomes per chain, about 12.     

Co@Aun(n=1-8)团簇的几何结构和电子性质的理论研究

本文利用密度泛函PW91方法研究了Co@Au_n（n=1～8）团簇的平衡结构、稳定性和磁矩.结构优化显示Co原子在低能异构体中趋于占据最高配位位置,基态Co@Au_n（n=2～6）团簇为二维结构,Co@Au₇和Co@Au8转变为三维结构.原子平均结合能、二阶能量差分及HOMO-LUMO能级间隙分析表明掺杂Co原子提高了金团簇的稳定性,改变了金团簇能级间隙的奇偶振荡性,n=5为掺杂团簇的幻数.磁矩的计算揭示Co@Au_n团簇的磁性主要源于Co原子的3d轨道.     

MSin(M=Y、Pd、La、Yb、Lu)团簇的几何结构及电子性质

利用相对论密度泛函理论在广义梯度近似下研究了MSin(M=Y、Pd、La、Yb、Lu)团簇的结构、稳定性、电子和磁学性质。通过具体的计算和讨论发现：在n≤10时,所有掺杂的金属原子都位于Si原子的外部,具体位置也不尽相同。从n=11开始,随着团簇尺寸的增大,金属原子逐渐陷入Sin团簇的内框架之中,逐渐形成趋于笼形的结构。尤其是金属原子Pd,在n=11时就较早的陷入了Sin团簇的中心,形成笼状的基态结构。在n=16时,我们所研究的所有金属原子都完全陷入了Sin团簇的二十面体的中心。此外,我们还对团簇的磁性进行了计算,结果显示：TMSin团簇的磁性很小,并且从n=6开始,团簇TMSin的磁矩发生“淬灭”。从Mulliken电荷布局分析发现,除了PdSin团簇外,团簇的电荷转移方向随着团簇尺寸的增大发生改变,团簇的轨道杂化主要发生s-p-d轨道电子之间。     

Co@Aun(n=1-8)团簇的几何结构和电子性质的理论研究

本文利用密度泛函PW91方法研究了Co@Aun(n=1-8)团簇的平衡结构、稳定性和磁矩。结构优化显示Co原子在低能异构体中趋于占据最高配位位置,基态Co@Aun(n=2-6)团簇为二维结构,Co@Au7和Co@Au8转变为三维结构。原子平均结合能、二阶能量差分及HOMO-LUMO能级间隙分析表明掺杂Co原子提高了金团簇的稳定性,改变了金团簇能级间隙的奇偶振荡性,n=5为掺杂团簇的幻数。磁矩的计算揭示Co@Aun团簇的磁性主要源于Co原子的3d轨道。     

Palladium atoms and its dimers adsorbed on graphene: First-principles study

In this work we have studied the stabilty, electronic and magnetic properties of Pd adatoms and dimers adsorbed on graphene system using first-principles calculations. The adsorption energies for Pd adatom and its dimer have been found to range from −0.986 to −1.135 eV and −0.165 to −1.101 eV, respectively, which signify stable configuration and future utilization of this system in catalysis. A shift but no separation of π and π^? bands at the Dirac point has been observed in case of Pd dimer adsorption in perpendicular configuration, which can be accounted for the breaking of symmetry of the graphene structure due to adsorption. 64-68% spin polarization P(E_F) and 1.944-1.990 μ_B magnetic moment have been observed for Pd dimers adsorbed on graphene in perpendicular configuration for different sites. The unequal values of partial density of states for 4d and 5s orbitals of Pd dimers at Fermi level have been found to be responsible for the generation of high spin polarization.     

Structures, chemical bonding, magnetisms of small Al-doped zirconium clusters

The geometrical and electronic properties of small Al-doped Zrn−1 and host Zrn clusters (n=2-8) are investigated with hybrid HF/DFT functional: B3LYP. For the most favorable configurations of Zrn−1Al clusters, the Al atom prefers to be located on the surface of host zirconium clusters. The isomers that correspond to low coordination number of Zr-Al bonds are found to be more stable. The doping of Al atom in Zrn−1 clusters improves the chemical activities of host clusters. The Zr₅, Zr₇, Zr₄Al and Zr₆Al clusters behave the stronger stabilities relative to their respective neighbors. The strong s-d hybridizations are presented in all bonding Zr atoms. The values of WBI together with AIM analysis suggest that the Zr-Zr interactions are stronger than those between Zr and Al atoms. The doping of Al atom results into the decrease of spin magnetic moments for host zirconium clusters. The moments are mainly derived from the 4d electrons of bonding Zr atoms.     

Nin(n=1-9)小团簇的密度泛函理论研究

采用密度泛函理论(DFT)方法对Nin(n=1-9)团簇的结构, 稳定性和磁性进行了详细的研究. 得到了一些以前文献中没有提到的稳定结构, 并与其它方法得到的结构进行了比较, 得到的最稳定结构与实验结果相一致. 团簇能量的二阶差分、分裂能、HOMO-LUMO能隙随团簇尺寸的演化都没有表现出明显的奇偶振荡行为, 但在n=5、7时均有较大的值, 说明相对应的团簇具有较高的稳定性、较低的化学活性. 团簇磁性的研究表明团簇的平均每原子磁矩随团簇尺寸的增加有一定振荡, 但有逐渐减小的趋势, n≥5时团簇的构型对团簇磁性的影响较小.     

Polarization and transmission of microwaves in the magnetic suspension in the applied magnetic field

The production method of magnetic suspension consisting of ferromagnetic particles dispersed in cedarwood oil is presented at the beginning of this article. Next, the set-up for microwaves generation using a klystron is described. The main part of this paper concerning microwave transmission and polarization during its passage in samples of the produced magnetic suspension placed in a magnetic field is based on the following parameters: induction of this field, filling factor of magnetic suspension by ferromagnetic particles, dimensions of particles, viscosity of liquid carrier, and ratio of the magnetic field changes. Conducted investigations show that microwaves are damped and polarized in these magnetic suspensions. Obtained results are discussed and observed effects are explained by ordering of ferromagnetic particles in magnetic suspension by applied magnetic field.     

Viscosity and dispersion state of magnetic suspensions

We investigate the viscosity behavior of a magnetic suspension in which magnetic particles are dispersed in a mixture of polyacrylic liquids. The size of magnetite particles is nearly 300 nm and the volume fraction of the magnetic particles is in the range of 0.003-0.03. The particle concentration dependence of the suspension viscosity yields the intrinsic viscosity [η], which varies from 25.6 at 5 s⁻¹ to 5.1 at 400 s⁻¹. The yield stress and the infinite shear viscosity of the suspension increase non-linearly as the particle concentration ? increases. We examine the effect of process conditions such as milling time and amount of dispersant on the viscosity behavior of the suspension. As milling time elapses, yield stress and low shear viscosity decrease and then reach constant values while the infinite shear viscosity remains constant. When oleic acid is added as a dispersant, the yield stress and low shear viscosity of the suspension show minimum values as the amount of oleic acid increases. These results agree with experimental results of sedimentation tests, which enable us to estimate the aggregate size of magnetic suspension. The yield stress and the low shear viscosity of the magnetic suspension are found to be useful in evaluating the dispersion state of the magnetic suspension.