Influence of composition of carbonyl iron particles on dynamic mechanical properties of magnetorheological elastomers

Magnetorheological elastomers (MRE) are known as smart materials. However, the magnetorheological (MR) effect of MRE is not high enough at present, which limits its engineering applications. Prior studies have shown that magneto-induced shear storage modulus and MR effect were mainly determined by the performance of the ferromagnetic particles. In this paper, MRE samples were prepared by carbonyl iron particles (CIP) of different compositions based on silicon rubber under external magnetic field. Their microstructures were observed using an optical digital microscope and a scanning electron microscope. The dynamic mechanical properties of MRE samples were measured using a modified dynamic mechanical analyzer under varying magnetic field strength and frequency. The results show that the carbon content of CIP have a greater impact on the dynamic mechanical properties of MRE. The magneto-induced shear storage modulus and MR effect can be increased by selecting CIP of low carbon content. In addition, the damping property is also significantly influenced by the carbon content of the CIP. This study is expected to provide guidance for fabrication of high performance MRE.     

Enhancement in Magnetorheological Effect of Magnetorheological Elastomers by Surface Modification of Iron Particles

为了研制具有高磁流变效应的磁流变弹性体,从新的化学修饰的角度制备了各向异性的橡胶基磁流变弹性体. 阴离子表面活性剂、非离子表面活性剂和复合表面活性剂等三种不同类型的表面活性剂分别用于修饰铁颗粒. 使用力磁耦合动态测试仪测量磁流变弹性体的动态剪切模量,并计算材料的磁流变效应. 测试结果表明,当Span 80的含量为15%时,材料的相对磁流变效应可达到188%,除了表面活性外,Span 80的增塑效应也有利于相对磁流变效应的增加. 当使用具有强表面活性的复合表面活性剂修饰铁颗粒时,用量只需0.4%,便可使相对     

Radiation Vulcanization of Magnetorheological Elastomers Based on Silicone Rubber

介绍了两种制备磁流变弹性体的硫化方法即高温硫化和辐射硫化. 研究中采用动态力学分析仪(DMA)测量了样品的动态力学特性.特别是对样品的磁流变效应和耐久性进行了详细的测试. 实验结果表明,经过辐射硫化的样品具有更大的零场模量和磁致模量,以及更好的磁流变效应和耐久性. 为了解释这些结果,文章对样品的体积形变和增塑剂渗出都作了详细的分析. 在硫化过程中样品的体积保持稳定是辐射硫化样品具有大磁致模量的重要原因,而增塑剂渗透性小也是辐射硫化样品具有高磁流变效应和耐久性的重要因素.     

Dynamic analysis of magnetorheological elastomer-based sandwich beam with conductive skins under various boundary conditions

The dynamic analysis of a three-layered symmetric sandwich beam with magnetorheological elastomer (MRE) embedded viscoelastic core and conductive skins subjected to a periodic axial load have been carried out under various boundary conditions. As the skins of the sandwich beam are conductive, magnetic loads are applied to the skins during vibration. Due to the field-dependent shear modulus of MRE material, the stiffness of the MRE embedded sandwich beam can be changed by the application of magnetic fields. Using extended Hamilton’s principle along with generalized Galarkin’s method the governing equation of motion has been derived. The free vibration analysis of the system has been carried out and the results are compared with the published experimental and analytical results which are found to be in good agreement. The parametric instability regions of the sandwich beam have been determined for various boundary conditions. Here, recently developed magnetorheological elastomer based on natural rubber containing iron particles and carbon blacks have been used. The effects of magnetic field, length of MRE patch, core thickness, percentage of iron particles and carbon blacks on the regions of parametric instability for first three modes of vibration have been studied. These results have been compared with the parametric instability regions of the sandwich beam with fully viscoelastic core to show the passive and active vibration reduction of these structures using MRE and magnetic field. Also, the results are compared with those obtained using higher order theory.     

纤维素和甲醇共催化热解制备对二甲苯

本文对纤维素和甲醇在不同金属氧化物改性的ZSM5催化剂作用下共催化快速热解实现一步制备可再生对二甲苯的过程进行了研究. 结果表明,镧改性的ZSM5催化剂是生产生物基对二甲苯的有效催化剂. 对二甲苯的选择性和产率主要由催化剂酸性、反应温度和甲醇含量决定. 在20%La₂O₃-ZSM5(80)催化剂作用下,纤维素与33wt%甲醇共催化快速热解获得对二甲苯的最高收率和对二甲苯/二甲苯的最高比率分别为14.5 C-mol%和86.8%. 本文详细研究了催化热解过程中催化剂的失活,基于产物的分析和催化剂的表征提出了由纤维素制备对二甲苯的可能反应途径.     

基于周期性边界条件的分块量子化学方法对液态水的从头算分子动力学模拟

本文利用分块量子化学方法,实现了在周期性边界条件下应用二阶微扰(MP2)理论对液态水的从头算分子动力学模拟. 通过采用aug-cc-pVDZ基组,MP2理论可以精确地描述水分子之间的相互作用势能面,因而在描述水的各项理化性质方面,MP2有望提供比密度泛函理论更加精确的结果. 本研究计算了多种水的结构及动力学性质,包括径向分布函数,扩散系数,偶极矩,三个临近氧原子的角度分布,氢键结构,都得到了与实验观测一致的结果. 因此,周期性边界量子分块方法可以作为一种研究水的物质结构的可靠理论方法,并且有望促进水科学领域争议性问题的解决. 同时,该方法具有普适性和可扩展性,为有效应用高精度量子化学从头算方法计算其他凝聚态体系提供了理论框架.     

Damping of Magnetorheological Elastomers

利用改装后的力磁耦合动态测试系统实验研究了磁流变弹性体在磁场下的阻尼性能. 实验得出了外加磁场的磁感应强度、基体的本征阻尼、铁粉含量、动态应变以及激励频率对磁流变弹性体阻尼的影响规律. 发现了磁流变弹性体的阻尼在很大程度上是由基体和颗粒之间的界面滑移所决定的. 而且该界面滑移不同于一般复合材料,它会受到外加磁场的影响..     

超细金属铁颗粒的高分子修饰及其悬浮液的磁流变性能

报道了γ射线辐照方法合成具有良好分散性的高分子复合金属铁粒子,分别选择十二烷基硫酸钠、溴化十六锘三甲基胺、Ｔｗｅｅｎ－８０、ＴｒｉｔｏｎＸ－２００和ＯＰ－１０表面活必睡有机单体、无机铁颗粒一起制备乳状液,通过对这种含有超细金属铁颗粒乳状液稳定性的比较,以寻求合适的乳化剂,并对以ＴｒｉｔｏｎＸ－２００为乳化剂时合成出的高聚物复合铁颗进行了ＸＲＤ、ＴＥＭ和ＩＲ表征,还将实验中所获得的高聚物复合铁粒子与     

2-三氟甲基吡啶的转动光谱及分子结构研究

本文测定了2-三氟甲基吡啶在2∽20 GHz频率范围内的高分辨转动光谱. 测定了转动常数、¹⁴N核四极耦合常数及离心畸变常数等一系列光谱参数. 同时还在自然丰度下测定了5个¹³C和1个¹⁴N单取代同位素异数体的光谱数据. 实验结果结合从头算准确地推导出2-三氟甲基吡啶的骨架结构. 实验测得同位素异数体的平面转动惯量P_cc数值均为44.46 u?²，表明此分子具有C_s对称性. 此外，本文计算了吡啶、2-氟吡啶、2-甲基吡啶和2-三氟甲基吡啶的分子表面静电势，以此分析了三氟甲基的取代对电子分布的影响.     

针对电子极化子迁移的哈伯德U修正受限密度泛函理论方法：TiO2实例研究

极化子的形成和迁移对过渡金属氧化物的物理和化学性质有重要影响. 含哈伯德$U$修正的密度泛函理论和受限密度泛函理论方法经常被应用于小极化子迁移性质的理论研究. 本文在投影缀加波框架中实现了哈伯德$U$修正的受限密度泛函理论(cDFT+U),并将其应用于体相TiO₂中的极化子迁移性质的计算. 确认了哈伯德U的取值对极化子性质的理论预测有重要影响. 采用基于cDFT计算所获得的哈伯德U值,可对TiO₂金红石和锐钛矿相中的极化子性质获得与实验符合很好的描述. 本文表明,使用与理论上一致的方式计算获得的哈伯德U值,cDFT+U有望成为一种有效的不需经验输入而计算过渡金属氧化物极化子性质的第一性原理方法.     

Cucurbit[n]urils/CdS-MoS2的表征及可见光催化性能

为了降低CdS光生电子-空穴的复合对其光催化性能的影响,利用窄带隙半导体MoS₂和有机大分子瓜环(cucurbit[n]uril,Q[n])对CdS进行改性研究. 本文采用水热法合成了Q[n]/CdS-MoS₂\\(n=6,7,8)复合光催化剂. 利用FT-IR、XRD、XPS、SEM、UV-Vis和PL等手段对产物结构、形貌和光学等性质进行表征,并考察Q[n]/CdS-MoS₂复合催化剂对次甲基蓝、罗丹明B和结晶紫溶液的催化降解性能. 结果表明,瓜环对CdS-MoS₂颗粒生长结晶起到了调控作用,Q[n]/CdS-MoS₂(n=6,7,8)形成了具有花瓣状叶片的花团,催化剂表面积增大,活性位点增加,禁帯宽度减小,电子-空穴对得到了更好的分离和迁移. Q[6]/CdS-MoS₂和Q[7]/CdS-MoS₂对亚甲基蓝具有良好的光催化活性,催化过程为羟基自由基原理.     

乙炔高温裂解的从头算动力学模拟

本文采用了从头算动力学结合量化计算来研究乙炔的热裂解,发现了一条通过连续乙烯基卡宾加成生成苯环的机理,并和与这条路径相竞争的路径进行了对比. 此外,还得到了乙烯基卡宾的寿命.     

Preparation of superparamagnetic Fe3O4/PMMA nano composites and their magnetorheological characteristics

Fe₃O₄/PMMA composite particles were fabricated by a simple one-pot hydrothermal method. The magnetic measurement showed that the composite particles displayed a higher saturated magnetization and superparamagnetic property. The rheological properties of the magnetorheological fluids (MRFs) based on Fe₃O₄/PMMA particles were measured on a rotational rheometer with a magnetic field generator. It was found that the MRFs exhibited better MR effect and sendimentary stability than the similar materials.     

利用高分辨率光谱和从头算理论研究9-甲基蒽的大振幅运动

本文利用平行超音速射流和光频梳技术观察到9-甲基蒽(9MA)的多普勒的高分辨率和高精度光谱. CH₃内部旋转的势能曲线用六重对称正弦函数表示. 之前报道的9MA-d12的势垒(V₆)远远低于9MA-h12[M. Baba, et al., J. Phys. Chem. A 113, 2366 (2009)]. 本文对多组分分子轨道法进行从头算方法的理论计算. 氘代取代势垒降低的部分原因是H和D原子核的波函数不同.     

基于芯-电子结合能偏移的碱金属中的表面、尺寸和热效应

还原氧化石墨烯是大规模生产石墨烯的前体;然而迄今为止,还原氧化石墨烯的电子结构还没有达成共识. 本文运用从头分子动力学方法研究羟基在石墨烯表面的吸附过程. 在吸附过程中,OH基团首先在位于两个碳原子桥位上方形成物理吸附络合物,然后翻越过渡态,最终被吸附在一个碳原子的顶位位点. 结果显示5×5石墨烯表面最多可以吸附6个羟基,表明石墨烯表面羟基的覆盖率约为12%. 计算结果还显示,负吸附能随着羟基吸附数目的增加而线性增加,带隙也随着羟基吸附数目的增加而线性增加.     

Rapid acquisition technique for MR elastography of the liver

Magnetic resonance elastography (MRE) of the liver is a novel noninvasive clinical diagnostic tool to stage fibrosis based on measured stiffness. The purpose of this study is to design, evaluate and validate a rapid MRE acquisition technique for noninvasively quantitating liver stiffness which reduces by half the scan time, thereby decreasing image registration errors between four MRE phase offsets. In vivo liver MRE was performed on 16 healthy volunteers and 14 patients with biopsy-proven liver fibrosis using the standard clinical gradient recalled echo (GRE) MRE sequence (MREs) and a developed rapid GRE MRE sequence (MREr) to obtain the mean stiffness in an axial slice. The mean stiffness values obtained from the entire group using MREs and MREr were 2.72 ± 0.85 kPa and 2.7 ± 0.85 kPa, respectively, representing an insignificant difference. A linear correlation of R² = 0.99 was determined between stiffness values obtained using MREs and MREr. Therefore, we can conclude that MREr can replace MREs, which reduces the scan time to half of that of the current standard acquisition (MREs), which will facilitate MRE imaging in patients with inability to hold their breath for long periods.     

A Gaussian distribution model of anisotropic magnetorheological elastomers

A Gaussian distribution model was developed to examine the field-induced performance of anisotropic magnetorheological elastomers. The developed model was based on the assumption that the iron particles in magnetorheological elastomers aggregate into a large number of parallel body-centered tetragonal structure columns whose length obeys the Gaussian distribution. By using multi-pole approximation with local field effect and taking into account the nonlinearity and saturation of particle magnetization, the field-induced shear modulus was calculated as a function of distribution and dimension of the particle structures, the external magnetic field and the dynamic shear strain. Compared with other modes as well as the published experimental results, this model shows a remarkable improvement in accurately predicting the behavior of the magnetorheological elastomers.     

Numerical solutions of matrix Riccati equations for radiative transfer in a plane-parallel geometry

Abstract

In this paper, we conduct numerical experiments with matrix Riccati equations (MREs) which describe the reflection (R) and transmission (T) matrices of the specific intensities in a layer containing randomly distributed scattering particles. The theoretical formulation of MREs is discussed in our previous paper where we show that R and T for a thick layer can be efficiently computed by successively doubling R and T matrices for a thin layer (with small optical thickness τ_Δ). We can compute R(τ_Δ) and T(τ_Δ) very accurately using either a fourth-order Runge–Kutta scheme or the fourth-order iterative solution. The differences between these results and those computed by the eigenmode expansion technique (EMET) are very small (<0.1%). Although the MRE formulation cannot be extended to handle the inhomogeneous term (source term) in the differential equation, we show that the force term can be reformulated as an equivalent boundary condition which is consistent with MRE methods. MRE methods offer an alternative way of solving plane-parallel radiative transport problems. For large problems that do not fit into computer memory, the MRE method provides a significant reduction in computer memory and computational time.     

Pt_nAl(n=1—8)小团簇的密度泛函理论研究

采用密度泛函理论方法,在BPW91/LANL2DZ水平下详细研究了Pt n Al(n=1—8)团簇的几何结构、稳定性和电子性质.同时,分析了团簇的结构演化规律、平均结合能、二阶能量差分、能隙、磁性、Mulliken电荷和电极化率.结果表明:除Pt2Al外,所有Pt n Al(n=1—8)团簇的基态几何结构都可以用Al原子替换Pt n+1基态构型中的Pt原子得到,且Al原子位于较高的配位点上.二阶能量差分、能隙的分析结果表明,PtAl和Pt4Al团簇相对其他团簇具有较高的稳定性.Mulliken电荷分析表明,Al原子所带的电荷转移到Pt原子上,Al原子是电荷的捐赠者.磁性的分析说明,单个Al原子的加入对Pt n团簇的平均每原子磁矩随尺寸的变化趋势没有影响,但总体上降低了Pt n团簇的平均磁矩.极化率的研究表明,富Pt团簇的非线形光学效应强,容易被外场极化.     

环丁烷嘧啶二聚体电子催化修复的分子动力学模拟探索

过剩电子不仅是辐射破坏的重要根源,而且也参与诸如环丁烷嘧啶二聚体等辐射产物的修复过程. 利用从头算分子动力学模拟,本工作再现了单电子分步催化环丁烷嘧啶二聚体离解的详细过程,特别获得了与过剩电子有关的能量和分子结构详细信息. 基于垂直注入环丁烷嘧啶二聚体水溶液过剩双电子的分子动力学模拟,本文排除了早期建议的类[2+2]协同同步离解机理,分析了实际反应对称性与严重影响机理的轨道对称性的差别. 重要的是,本文提出一个双电子分步催化离解机理新模型,可以合理解释反应实验观察. 本工作不仅对电子催化离解机理提供了动态洞察性的解析,而且也揭示了两个过剩电子在两个键断裂步骤中的不同作用(促进或抑制).