Two-dimensional small particles coupled by dipolar interactions

We study the effect of the dipolar coupling on the magnetic properties of two small interacting ferromagnetic particles. Each particle is a two-dimensional array of Ising spins with a central spin surrounded by a variable number of shells. The coupling between spins inside each particle is ferromagnetic and the dipolar interaction between the particles is determined as a function of the number of shells, temperature, and distance between their centers. We investigate the system by mean-field approximation and Monte Carlo simulations. The dipolar interaction is calculated in two ways, one assuming effective spins in the centers of the particles, and the other directly computing the interactions among all the pairs of spins, one in each particle. We show that the difference in the corresponding dipolar energies is a power law on the distance with exponent 5. We calculate the magnetization and susceptibility as a function of temperature, number of shells and distance between the particles’ centers. We show that the critical temperature increases with the number of spins in each particle, and it is more noticeable in the mean-field calculations than in the Monte Carlo simulations.     

Phase diagram of uniaxial antiferromagnetic particles: Field perpendicular to the easy axis

We consider a spherical uniaxial antiferromagnetic particle in the presence of an external magnetic field perpendicular to its easy axis. The model is described by a classical Heisenberg Hamiltonian including a single-ion uniaxial anisotropy, where the magnetic moments of the particle are represented by continuous spin vectors. We employ mean-field calculations and Monte Carlo simulations to determine the phase diagram of the system. The phase diagram in the plane field versus temperature is obtained for particles with radii ranging from three up to twelve spacing lattice units. We have seen that a particle with more than nine shells behaves as a true thermodynamic system. We find the explicit dependence of the zero temperature critical field and the Néel temperature on the diameter of the particle. At low temperatures, we have also shown that, for particles with three or more shells, the critical field follows a T² law, which is in agreement with the predictions of the spin-wave theory, when the field is perpendicular to the easy axis.     

Coupling of ferromagnetic nanoparticles through dipolar interactions

We consider two ferromagnetic nanoparticles coupled via long-range dipolar interactions. We model each particle by a three-dimensional array of classical spin vectors, with a central spin surrounded by a variable number of shells. Within each particle only ferromagnetic coupling between nearest neighbor spins is considered. The interaction between particles is of the dipolar type and the magnetic properties of the system is studied as a function of temperature and distance between the centers of the particles. We perform Monte Carlo simulations for particles with different number of shells, and the magnetic properties are calculated via two routes concerning the dipolar contribution: one assuming a mean-field like coupling between effective magnetic moments at the center of the particles, and other one, where we take into account interactions among all the pairs of spins, one in each particle. We show that the dipolar coupling between the particles enhances the critical temperature of the system relative to the case in which the particles are very far apart. The dipolar energy between the particles is smaller when the assumption of effective magnetic moment of the particles is used in the calculations.     

Application of the dissipative particle dynamics method to magnetic colloidal dispersions

The validity of the application of the dissipative particle dynamics (DPD) method to ferromagnetic colloidal dispersions has been investigated by conducting DPD simulations for a two–dimensional system. First, the interaction between dissipative and magnetic particles has been idealized as some model potentials, and DPD simulations have been carried out using such model potentials for a two magnetic particle system. In these simulations, attention has been focused on the collision time for the two particles approaching each other and touching from an initially separated position, and such collision time has been evaluated for various cases of mass and diameter of dissipative particles and model parameters, which are included in defining the equation of motion of dissipative particles. Next, a multi–particle system of magnetic particles has been treated, and particle aggregates have been evaluated, together with the pair correlation function along an applied magnetic field direction. Such characteristics of aggregate structures have been compared with the results of Monte Carlo and Brownian dynamics simulations in order to clarify the validity of the application of the DPD method to particle dispersion systems. The present simulation results have clearly shown that DPD simulations with the model interaction potential presented here give rise to physically reasonable aggregate structures under circumstances of strong magnetic particle–particle interactions as well as a strong external magnetic field, since these aggregate structures are in good agreement with those of Monte Carlo and Brownian dynamics simulations.     

Modeling Structural and Magnetic Phase Transitions in Iron-Nickel Nanoparticles

Martensitic phase transformations and magnetovolume effects in iron-nickel alloys are intimately related. The term Invar is widely used to characterize the unusual physical properties accompanying structural and magnetic instabilities such as those observed in the vicinity of the critical composition Fe 65 Ni 35 . We discuss the crossover from bulk iron-nickel alloys to nanoparticles with respect to structural and magnetic behavior. By employing molecular-dynamics and Monte Carlo methods, we find the absence of structural instabilities in defect-free particles, a linear scaling of the austenitic transformation temperature with the reciprocal cluster radius, as well as a decrease of the magnetic transition temperature with decreasing particle size.     

Hysteresis of the Magnetic Particle in a Dipolar Ising Model

Zero-temperature Monte Carlo simulations are used to investigate the hysteresis of a magnetic particle in a dipolar Ising model.The magnetic particle is described in a systemm of permanent dipoles,and the dipoles are located in a cubic lattice site.The effects of the shape and the size of the particle on the hysteresis loop at zero temperature are obtained.For strong exchange interactions,the shapes of magnetic hysteresis loops approach rectangle.For weak exchange interactions,the effects of the size and the shape of the particle on the loops are more remarkable than those of strong exchange interactions case.The slope of the hysteresis loop decreases with the increase of the ratio of the semi major axis to the semi minor axis of the ellipsoidal magnetic particle,and there is an increase of the slope of the hysteresis with the decrease of the size of the magnetic particle.The effects of the shape and size of the particle on the coercive force at zero temperature are also investigated.     

Magnetic interaction between ultrafine amorphous Fe1-xCx alloy particles in ferrofluids

Ferrofluids with ultrafine magnetic particles of amorphous Fe_1-xC_x were studied by Mössbauer spectroscopy, transmission electron microscopy and magnetic measurements. Magnetic measurements showed that the initial susceptibility follows a Curie-Weiss law, indicating magnetic interaction between the particles. The influence of the magnetic interaction on the estimation of the particle size, made from the field dependence of the induced hyperfine splitting, is discussed.     

Quasi-2D Monte Carlo simulations of a colloidal dispersion composed of magnetic plate-like particles with magnetic moment normal to the particle axis

We have investigated aggregation phenomena of a colloidal dispersion composed of magnetic plate-like particles by means of Monte Carlo simulations. Such plate-like particles have been modelled as disk-like particles with magnetic moment normal to the particle axis at the particle centre, with the section shape of a spherocylinder. The main objective of the present study is to clarify the influences of the magnetic field strength and magnetic interactions between particles on particle aggregation phenomena. We have concentrated our attention on a quasi-2D system from an application point of view such as the development of surface quality changing technology using such magnetic plate-like particles. A magnetic field is applied along the direction perpendicular to the plane of the monolayer. Internal structures of particle aggregates are discussed quantitatively in terms of radial distribution and orientational pair correlation functions. For the case of strong magnetic interactions between particles, particles form long column-like clusters with their magnetic moments alternating in direction between the neighbouring particles. These tendencies appear under circumstances of a weak applied magnetic field. However, as the magnetic field strength increases, particles incline towards the magnetic field direction, so that particles do not form such clusters.     

Monte Carlo calculation of the magnetization behavior and the magnetocaloric effect of interacting particles

The magnetization behavior and the magnetic entropy change of a system made up of ferromagnetically interacting particles are calculated by using Monte Carlo simulation. The effect of the magnetic anisotropy of particles and the dipolar–dipolar interaction between particles on the magnetization and the magnetic entropy change of the system are discussed. It is found that there is no spontaneous magnetization, both the magnetic anisotropy of particles and the dipolar–dipolar interaction between particles restrains the system's magnetizing in the external magnetic field. The magnetic entropy change decreases with the increase in temperature in the system without the dipolar–dipolar interaction; however, the dipolar–dipolar interaction between particles makes the magnetic entropy change of the system have maximum value at low temperatures.     

磁性纳米颗粒系统偶极相互作用的Monte Carlo研究

采用局域Monte Carlo方法模拟不同易轴分布的简单立方排列单分散单畴Fe纳米颗粒系统的ZFC-FC曲线及磁滞回线.结果表明：随着偶极相互作用的增强，系统的阻塞温度T_B逐渐增大，且ZFC曲线的峰变宽.说明偶极相互作用使得系统的有效能垒提高，分布宽度增加.研究FC曲线磁化强度的倒数与温度关系，发现偶极相互作用系统中存在反铁磁有序.系统的阻塞态及超顺磁态的磁滞回线表明，极低低温下，随着偶极相互作用的增强，系统的矫顽力和剩磁减小，偶极相互作用阻碍系统的磁化；系统处于超顺磁态，各向异性作用及偶极相互作用使得系统的磁化曲线偏离Langevin曲线且偶极相互作用展现出退磁相互作用效应.偶极相互作用增强，系统磁化曲线与Langevin曲线偏差量的最大值向低场移动.在偶极相互作用下，易轴与外场夹角为45°的磁性纳米颗粒系统的平均有效能垒和有效能垒分布宽度较易轴随机分布系统的大.     

Interaction effects in magnetic oxide nanoparticle systems

The interaction effects in magnetic nanoparticle system were studied through a Monte Carlo simulation. The results of simulations were compared with two different magnetic systems, namely, iron oxide polymer nanocomposites prepared by polymerization over core and nanocrystalline cobalt ferrite thin films prepared by sol-gel process. The size of the particles in the nanocomposites were estimated to be ∼15 nm with very little agglomeration. The low values of the coercivity obtained from the hysteresis measurements performed confirm that the system is superparamagnetic. SEM studies showed the cobalt ferrite films to have a nanocrystalline character, with particle sizes in the nanometer range. Hysteresis measurements performed on the thin films coated on silicon do not give evidence of the superparamagnetic transition up to room temperature and the coercivity is found to increase with decreasing film thickness. Comparison with simulations indicate that the nanocomposites behave like a strongly interacting array where exchange interactions lead to high blocking temperatures, whereas the films are representative of a semi-infinite array of magnetic clusters with weak interactions and thickness-dependent magnetic properties.     

Particle acceleration and magnetic field amplification in supernova shells: A nonlinear Monte Carlo model

A nonlinear model of particle spectra and nonadiabatic magnetic field amplification in supernova shells is presented. The effect super-diffusive particle propagation in the vicinity of a shock wave has on the spectra of accelerated particles and magnetic field fluctuations is studied in a Monte Carlo simulation.     

Quasi-2D Monte Carlo simulations of phase transitions and internal aggregate structures in a highly dense suspension composed of magnetic plate-like particles

The phase transitions and the internal aggregate structures of a highly dense suspension composed of magnetic plate-like particles with a magnetic moment normal to the particle axis have been investigated by means of the Monte Carlo method. The present study considered a quasi-2D system in order to clarify the influences of the volumetric fraction of particles and the magnetic field strength on particle aggregations and phase transitions. The internal structures of particle aggregates have been discussed quantitatively in terms of pair correlation functions, orientational pair correlation functions, nematic and polar order parameters. The main results obtained here are summarized as follows. When the influence of the magnetic interaction between particles is of the same order of that of the perpendicular magnetic field strength, the particles form column-like clusters, and the internal structure of the suspension shows solid-like structures. For the case of a strong applied magnetic field, the internal structure is transformed from solid-like structures into isotropic ones. However, as the volumetric fraction increases, the particles form brick wall-like structures under the situation of a strong applied magnetic field, and the internal structure exhibits solid-like ones. The brick wall-like structures also appear for a relatively weak magnetic field applied along the in-plane direction despite a slightly smaller volumetric fraction compared with the case of the perpendicular applied magnetic field.     

Brownian dynamics simulations of a cubic haematite particle suspension with a more effective treatment of steric layer interactions

We have proposed a new repulsive layer model for describing the interaction between steric layers of coated cubic particles. This approach is an effective technique applicable to particle-based simulations such as a Brownian dynamics simulation of a suspension composed of cubic particles. 3D Brownian dynamics simulations employing this repulsive interaction model have been performed in order to investigate the equilibrium aggregate structures of a suspension composed of cubic haematite particles. It has been verified that Brownian dynamics employing the present steric interaction model are in good agreement with Monte Carlo results with respect to particle aggregate structures and particle orientational characteristics. From the viewpoint of developing a surface modification technology, we have also investigated a regime change in the aggregate structure of cubic particle in a quasi-2D system by means of Brownian dynamics simulations. If the magnetic particle–particle interaction strength is relatively strong, in zero applied magnetic field the particles aggregate in an offset face-to-face configuration. As the magnetic field strength is increased, the offset face-to-face structure is transformed into a more direct face-to-face contact configuration that extends throughout the whole simulation region.     

LES-DSMC方法研究超细颗粒气固两相流动过程

采用考虑颗粒脉动流动对气相湍流流动影响的大涡模拟(LES)研究气相湍流,采用直接模拟蒙特卡罗方法(DSMC)模拟颗粒间的碰撞。单颗粒运动满足牛顿第二定律,颗粒相和气相相间作用的双向耦合由牛顿第三定律确定,考虑超细颗粒间的van der Waals作用力。数值模拟垂直管内超细颗粒气固两相流动,对颗粒相速度、浓度以及团聚物流动过程进行分析。     

New effects in light scattering in disordered media and coherent backscattering cone: systems of magnetic particles

Single and multiple scattering of light by magnetic particles and their implications to the coherent backscattering effect are reported. Single scattering of light by small magnetic particles presents unusual features such as forward-backward asymmetry and resonance effects. In multiple scattering, this leads to a global decrease in the localization parameter kl(*), which exhibits an oscillatory dependence on the scatterer magnetic permeability. By considering magnetic scatterers following a Curie-Weiss susceptibility law, we suggest that kl(*) can be tuned by varying the temperature.     

Monte Carlo simulations of magnetic particle suspensions with a simple assessment method for the particle overlap between magnetic spheroids

We have developed a simple assessment method for the overlap between spheroidal particles, which neither requires the complex manipulation of vectors and matrices that is indispensable in the ordinary methods, nor is based on a model potential. Moreover, we have developed an evaluation method for the interaction energy arising from the overlap of the steric layer coating spheroidal particles. This is based on a sphere-connected particle model, but some modifications are introduced in order to express an appropriate repulsive interaction energy at the deepest overlapping position. We have investigated the phase change in a magnetic spheroidal particle suspension for a two-dimensional system by means of Monte Carlo simulations. In the case of no external magnetic field, if the magnetic particle-particle interaction is sufficiently strong to favour cluster formation, long raft-like clusters tend to be formed in a dilute situation. With decreasing values of area fraction, a chain-like structure in a dense situation transforms into a raft-like structure within a narrow range of the particle area fraction. Similarly, the raft-like clusters are preferred in a weak applied magnetic field, but an increase in the field strength induces a phase change from a raft-like into a chain-like structure.

Highlights of the present paper:

1. A simple assessment method has been proposed for the overlap between two spheroidal particles.

2. The particle overlap assessment is free from a complex mathematical manipulation regarding vectors and matrices.

3. A modified sphere-connected model has been proposed in order to more accurately evaluate a repulsive interaction due to the overlap of the steric layers coating spheroidal particles.

4. 2D Monte Carlo simulations have been performed to elucidate the phenomenon of a phase change by magnetic spheroidal particles on a material plane surface.

5. A phase change between a raft-like and a chain-like aggregate structure is able to be controlled by the area fraction of particles and an external magnetic field.

     

A Monte Carlo and continuum study of mechanical properties of nanoparticle based films

A combination Monte Carlo and equivalent-continuum simulation approach was used to investigate the structure-mechanical property relationships of titania nanoparticle deposits. Films of titania composed of nanoparticle aggregates were simulated using a Monte Carlo approach with diffusion-limited aggregation. Each aggregate in the simulation is fractal-like and random in structure. In the film structure, it is assumed that bond strength is a function of distance with two limiting values for the bond strengths: one representing the strong chemical bond between the particles at closest proximity in the aggregate and the other representing the weak van der Waals bond between particles from different aggregates. The Young’s modulus of the film is estimated using an equivalent-continuum modeling approach, and the influences of particle diameter (5–100 nm) and aggregate size (3–400 particles per aggregate) on predicted Young’s modulus are investigated. The Young’s modulus is observed to increase with a decrease in primary particle size and is independent of the size of the aggregates deposited. Decreasing porosity resulted in an increase in Young’s modulus as expected from results reported previously in the literature.     

Magnetic material in head, thorax, and abdomen of Solenopsis substituta ants: a ferromagnetic resonance study

Ferromagnetic resonance temperature dependence is used to study the magnetic material in smashed head, thorax, and abdomen of Solenopsis substituta ants. These three body parts present the five lines previously observed in other social insects. The magnetic material content is slightly higher in heads with antennae than in abdomen with petiole. Isolated nanoparticle diameters were estimated as 12.5 +/- 0.1 and 11.0 +/- 0.2 nm in abdomen with petiole and head with antennae, respectively. The presence of linear chains of these particles or large ellipsoidal particles are suggested. A bulk-like magnetite particle was observed in the thorax. The Curie-Weiss, the structural-electronic and ordering transition temperatures were obtained in good agreement with those proposed for magnetite nanoparticles.     

考虑电离作用的淤泥异向絮凝三维数值模拟

鉴于试验观察淤泥絮凝结构的技术难度,本文尝试以布朗动力学为基础,采用蒙特卡洛方法动态模拟电离作用下颗粒成长为絮团的过程.为结合实际情况,泥沙颗粒初始位置由颗粒粒径和淤泥密度决定,颗粒初始速度按照相应条件下高斯随机分布给定.边界条件用和实际符合较好的循环边界.在模拟数据分析的基础上,讨论并比较了颗粒粒径和淤泥密度对絮凝时间以及絮团开放程度的影响.另一方面,讨论了电离作用后颗粒电荷量对絮团生长的影响.解释了泥沙颗粒表面电荷密度变化对絮凝过程和絮团结构的影响,模拟结果和实际情况较为一致.