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Conductance of T-shaped Graphene nanodevice with single disorder 单无序t形石墨烯纳米器件的电导率
IF 1.5 Pub Date : 2015-12-01 DOI: 10.7508/IJND.2015.05.011
A. Jafari, M. Ghoranneviss, M. Hantehzadeh
AB STRACT: Disordered T-shaped graphene nanodevice (TGN) was designed and studied in this paper. We demonstrated the intrinsic transport properties of the TGN by using Landauer approach. Knowing the transmission probability of an electron the current through the system is obtained using Landauer-Buttiker formalism. The effects of single disorder on conductance, current and on the transport length scales are studied using tight-binding model. It is demonstrated that the transport property of the TGN depends sensitively on the disorder positions. However, the current slightly depends on the disorder sites, but strongly depends on the geometry of TGN under small bias voltage. The mean free path in the system is reduced when the strength of disorder is sufficiently high and the mean free path patterns are found to strongly depend on the disorder position. Also observe that the current basically decreases with the stem height increase. We have found that zigzag graphene nanoribbons can be used as metal leads when we build graphene nanodevice based electronic devices.
摘要:设计并研究了无序t形石墨烯纳米器件(TGN)。我们用兰道尔方法证明了TGN的本征输运性质。利用Landauer-Buttiker公式得到了电子通过系统的传输概率。用紧密结合模型研究了单无序对电导、电流和输运长度尺度的影响。结果表明,TGN的输运特性对无序位置有敏感的依赖性。然而,在小偏置电压下,电流与无序位置的关系不大,而与TGN的几何形状密切相关。当无序强度足够高时,系统中的平均自由程减小,并且发现平均自由程模式强烈依赖于无序位置。还可以观察到,电流基本上随着阀杆高度的增加而减小。我们发现锯齿形石墨烯纳米带可以作为金属引线,用于构建基于石墨烯纳米器件的电子器件。
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引用次数: 0
DFT/NBO ANALYSIS OF INTERACTION BETWEEN A CNT AND ANTI-CANCER DRUGS 碳纳米管与抗癌药物相互作用的Dft / nbo分析
IF 1.5 Pub Date : 2015-12-01 DOI: 10.7508/IJND.2015.05.005
N. Mansour, F. Mahboubi, N. Nahrjou
Having conducted fundamental projects, scientists have expressed their hope to develop the use of carbon nanotubes to release drugs. It is important to release drugs in cell without damaging healthy cells of tissues under study. Researchers have shown the fact that nanotubes can perform this function perfectly. To this objective, in the present study the interactions between four anti-cancer drugs with a carbon nanotube (CNT) (6,6), containing 60 carbon atoms, have been investigated. It is noteworthy that all of these drugs have functional groups, from which the reaction with the nanotube can take place. The Density Functional Theory (DFT) calculations have been performed by Beck, three-parameter, Lee-Yang-Parr (B3LYP) method and 6-31G(d) basis set for full optimization of drugs, nanotube and the formed complexes. The Natural Bond Orbital (NBO) analysis and frequency calculations have been also performed for all structures using B3LYP method and 6-31G(d) basis set in 298K. According to the results, among all drugs under study, only two complexes between Carmustine and nanotube can be thermodynamically formed in 298K. The stability constants are calculated thereby showing a considerably large amount. Therefore, the nanotube can be a useful container for this drug. Also, NBO analysis shows that there exist hyperconjugative effects arising from an overlap between occupied orbitals in drugs and unoccupied orbitals in nanotube.
在完成了基础项目之后,科学家们表达了他们希望开发利用碳纳米管来释放药物的希望。重要的是在细胞内释放药物而不损害被研究组织的健康细胞。研究人员已经证明,纳米管可以完美地完成这一功能。为此,本研究研究了四种抗癌药物与含有60个碳原子的碳纳米管(CNT)(6,6)之间的相互作用。值得注意的是,所有这些药物都有官能团,与纳米管的反应可以从官能团发生。采用Beck、三参数、Lee-Yang-Parr (B3LYP)方法和6-31G(d)基集进行密度泛函理论(DFT)计算,对药物、纳米管和形成的配合物进行全面优化。采用B3LYP方法和298K中设置的6-31G(d)基对所有结构进行了自然键轨道(NBO)分析和频率计算。结果表明,在所研究的所有药物中,在298K条件下,卡莫汀与纳米管之间只有两种配合物可以热力学形成。由此计算出的稳定常数相当大。因此,纳米管可以作为这种药物的有用容器。NBO分析还表明,由于药物中已占据轨道与纳米管中未占据轨道重叠,存在超共轭效应。
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引用次数: 14
NONLOCAL FLUGGE SHELL MODEL FOR THE AXIAL BUCKLING OF SINGLE-WALLED CARBON NANOTUBES: AN ANALYTICAL APPROACH 单壁碳纳米管轴向屈曲的非局部fluge壳模型:一种解析方法
IF 1.5 Pub Date : 2015-12-01 DOI: 10.7508/IJND.2015.05.002
R. Ansari, H. Rouhi
In this paper, the stability characteristics of single-walled carbon nanotubes (SWCNTs) under the action of axial load are investigated. To this end, a nonlocal Flugge shell model is developed to accommodate the small length scale effects. The analytical Rayleigh-Ritz method with beam functions is applied to the variational statement derived from the Flugge-type buckling equations. Molecular dynamics (MD) simulations are performed to obtain the critical axial buckling loads of (8,8) armchair SWCNTs with different types of end conditions. Through comparison of the results obtained from the present analytical solution and the ones from molecular dynamics simulations, the appropriate values of nonlocal parameter are proposed for SWCNTs with different kinds of boundary conditions. The effects of nonlocal parameter and boundary conditions on the critical buckling load are also examined. Moreover, in spite of the uncertainty that exists in defining the in-plane stiffness and bending rigidity of nanotube, by adjusting the nonlocal parameter, the present nonlocal shell model is shown to be capable of predicting the MD simulations results.
研究了单壁碳纳米管(SWCNTs)在轴向载荷作用下的稳定性。为此,建立了一个非局部Flugge壳模型,以适应小长度尺度效应。采用带梁函数的解析瑞利-里兹方法求解fluge型屈曲方程的变分表达式。通过分子动力学(MD)模拟,获得了(8,8)扶手型SWCNTs在不同末端条件下的临界轴向屈曲载荷。通过本文解析解与分子动力学模拟结果的比较,提出了不同边界条件下SWCNTs非局部参数的合适取值。研究了非局部参数和边界条件对临界屈曲载荷的影响。此外,尽管在定义纳米管的面内刚度和弯曲刚度时存在不确定性,但通过调整非局部参数,所建立的非局部壳模型能够预测MD模拟结果。
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引用次数: 19
Effects of nanoparticles on wettability: A review on applications of nanotechnology in the enhanced Oil recovery 纳米颗粒对润湿性的影响:纳米技术在提高采收率中的应用综述
IF 1.5 Pub Date : 2015-12-01 DOI: 10.7508/IJND.2015.05.001
G. Cheraghian
Recently, a renewed interest arises in the application of nanotechnology for the upstream petroleum industry. In particular, adding nanoparticles to uuids may drastically beneut enhanced oil recovery and improve well drilling, by changing the properties of the uuid, rocks wettability alteration, advanced drag reduction, strengthening the sand consolidation, reducing the inter-facial tension and incr easing the mobility of the capillary trapped oil. In this study, we focus on roles of nanoparticles on wettability. This paper therefore focuses on the reviews of the application of nano technology in chemical flooding process in oil recovery and reviews the application nano in polymer and surfactant flooding on the wettability process. ty ry r t fo f c = e e c no
最近,人们对纳米技术在上游石油工业中的应用产生了新的兴趣。特别是,在流体中添加纳米颗粒可以通过改变流体的性质、改变岩石的润湿性、进一步降低阻力、加强砂的固结、降低界面张力和增加毛管捕获油的流动性,从而大大提高石油采收率和改善钻井效果。在本研究中,我们重点研究了纳米颗粒在润湿性中的作用。本文综述了纳米技术在化学驱采油过程中的应用,综述了纳米技术在聚合物驱和表面活性剂驱润湿性过程中的应用。我试着去找c = c = c
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引用次数: 47
Finite difference method for sixth-order derivatives of differential equations in buckling of nanoplates due to coupled surface energy and non-local elasticity theories 基于表面能和非局部弹性理论的纳米板屈曲微分方程六阶导数的有限差分法
IF 1.5 Pub Date : 2015-12-01 DOI: 10.7508/IJND.2015.05.010
M. Karimi, A. Shahidi
ABS TRACT: In this article, finite difference method (FDM) is used to solve sixth-order derivatives of differential equations in buckling analysis of nanoplates due to coupled surface energy and non-local elasticity theories. The uniform temperature change is used to study thermal effect. The small scale and surface energy effects are added into the governing equations using Eringen’s non-local elasticity and Gurtin-Murdoch’s theories, respectively. Two different boundary conditions including simply-supported and clamped boundary conditions are investigated. The numerical results are presented to demonstrate the difference between buckling obtained by considering the surface energy effects and that obtained without the consideration of surface properties. The results show that the finite difference method can be used as a powerful method to determine the mechanical behavior of nanoplates. In addition, this method can be used to solve higher-order derivatives of differential equations with different types of boundary condition with little computational effort. Moreover, it is observed that the effects of surface properties tend to increase in thinner and larger nanoplates; and vice versa.
摘要:本文采用有限差分法(FDM)求解纳米板表面能和非局部弹性耦合屈曲分析中微分方程的六阶导数。采用均匀温度变化来研究热效应。利用Eringen的非局部弹性理论和Gurtin-Murdoch的理论分别将小尺度效应和表面能效应加入到控制方程中。研究了两种不同的边界条件,包括简支边界条件和固支边界条件。数值结果表明,考虑表面能效应与不考虑表面特性的屈曲计算结果的差异。结果表明,有限差分法可以作为测定纳米板力学行为的有效方法。此外,该方法可用于求解具有不同类型边界条件的微分方程的高阶导数,计算量小。此外,表面性质的影响在纳米板越薄、越大时越明显;反之亦然。
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引用次数: 37
ESTIMATION OF PULL-IN INSTABILITY VOLTAGE OF EULER-BERNOULLI MICRO BEAM BY BACK PROPAGATION ARTIFICIAL NEURAL NETWORK 用反向传播人工神经网络估计欧拉-伯努利微梁的拉入不稳定电压
IF 1.5 Pub Date : 2015-12-01 DOI: 10.7508/IJND.2015.05.006
M. Heidari
The static pull-in instability of beam-type micro-electromechanical systems is theoretically investigated. Two engineering cases including cantilever and double cantilever micro-beam are considered. Considering the mid-plane stretching as the source of the nonlinearity in the beam behavior, a nonlinear size-dependent Euler-Bernoulli beam model is used based on a modified couple stress theory, capable of capturing the size effect. By selecting a range of geometric parameters such as beam lengths, width, thickness, gaps and size effect, we identify the static pull-in instability voltage. Back propagation artificial neural network with three functions have been used for modeling the static pull-in instability voltage of the micro cantilever beam. The network has four inputs of length, width, gap and the ratio of height to scale parameter of the beam as the independent process variables, and the output is static pull-in voltage of microbeam. Numerical data, employed for training the network and capabilities of the model in predicting the pull-in instability behavior has been verified. The output obtained from the neural network model is compared with numerical results, and the amount of relative error has been calculated. Based on this verification error, it is shown that the back propagation neural network has the average error of 6.36% in predicting pull-in voltage of the cantilever micro-beam.
从理论上研究了梁式微机电系统的静拉入失稳问题。考虑了悬臂梁和双悬臂梁两种工程情况。考虑到梁的中平面拉伸是梁的非线性特性的来源,基于修正的耦合应力理论,建立了能够捕捉尺寸效应的非线性尺寸相关欧拉-伯努利梁模型。通过选择一系列几何参数,如光束长度、宽度、厚度、间隙和尺寸效应,确定了静态拉入不稳定电压。采用三函数反向传播人工神经网络对微悬臂梁的静态拉入失稳电压进行了建模。该网络以梁的长度、宽度、间隙和高度与尺度参数的比值为独立过程变量,输出为微梁的静态拉入电压。用于训练网络的数值数据和模型预测拉入失稳行为的能力得到了验证。将神经网络模型的输出与数值结果进行了比较,并计算了相对误差的大小。基于这一验证误差,表明反向传播神经网络预测悬臂微梁的拉入电压的平均误差为6.36%。
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引用次数: 0
Statistical analysis of the parameters influencing the mechanical properties of layered MWCNTs/PVC nanocomposites 层状MWCNTs/PVC纳米复合材料力学性能影响参数的统计分析
IF 1.5 Pub Date : 2015-12-01 DOI: 10.7508/IJND.2015.05.008
V. Parvaneh, M. Shariati, A. Nezakati
In this paper, a new method is proposed for the production of MWCNTs/PVC (multi-walled carbon nanotubes/ polyvinyl chloride) nanocomposites. In this method, a spray is used to produce layers of carbon nanotubes within a PVC matrix. Various parameters influence the production of the nanocomposite and its mechanical properties. These parameters are studied separately and the effect of each of parameter is calculated. All of the results of the statistical methods are obtained from experimental tensile testing. Results indicated that the most important parameter associated with constituents is the weight percent of carbon nanotube while the most important parameter associated with production is the mold surface temperature. The interaction effect of the two ultimately effective parameters on each other is also analyzed, and the relevant diagrams of the Young modulus and the ultimate tensile strength are prepared as well. Values of the Young modulus and the ultimate tensile strength are obtained for different weight percent values of the carbon nanotube.
本文提出了一种制备多壁碳纳米管/聚氯乙烯纳米复合材料的新方法。在这种方法中,使用喷雾在PVC基体中产生碳纳米管层。不同的参数影响着纳米复合材料的制备及其力学性能。对这些参数分别进行了研究,并计算了各参数的影响。所有统计方法的结果均来自于试验拉伸试验。结果表明,与碳纳米管成分相关的最重要参数是碳纳米管的重量百分比,而与生产相关的最重要参数是模具表面温度。分析了两种最终有效参数之间的相互作用,并绘制了杨氏模量与极限抗拉强度的相关图。得到了不同重量百分比下碳纳米管的杨氏模量和极限抗拉强度。
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引用次数: 8
Evaluation of uniform delivery of colloidal nano-Silica stabilizer to liquefiable silty sands 胶体纳米二氧化硅稳定剂均匀输送到可液化粉砂的评价
IF 1.5 Pub Date : 2015-12-01 DOI: 10.7508/IJND.2015.05.007
G. Moradi, S. Seyedi
Liquefaction is one of the most important and complex topics in geotechnical earthquake engineering. In recent years, passive site stabilization method has been proposed for non-disruptive mitigation of liquefaction risk at developed sites susceptible to liquefaction using colloidal nano-silica stabilizer. In this research, 4 box models were used to investigate the ability to uniformly deliver colloidal nano-silica stabilizer to liquefiable loose mixes of sand with variations in silt content from 0 to 30% using 5 low-head injection and 2 extraction wells. After delivery was completed the models were cured for 30 days. Then the treated soil was excavated and a few samples were extracted for dynamic loading testing. According to the results, colloidal silica can be delivered uniformly in silty sand formations. With the same conditions, the amount of fine grained soil (silt content) strongly affected delivery time. The passive stabilization method can be appropriate for deposits with up to 20% fine graded silt, a concentration of 5 wt% colloidal silica is expected to be able to effectively mitigate the liquefaction risk of these deposits. The strains during seismic cyclic loading will probably be less than 3% and little permanent strain should result.
液化是岩土地震工程中最重要、最复杂的课题之一。近年来,研究人员提出了一种被动位点稳定方法,利用纳米二氧化硅胶体稳定剂对易液化的发达位点进行非破坏性的液化风险缓解。在这项研究中,使用了4个盒子模型,通过5口低水头注入和2口抽提井,研究了将胶体纳米二氧化硅稳定剂均匀输送到淤泥含量从0到30%变化的可液化松散混合砂中的能力。交付完成后,模型固化30天。然后开挖处理后的土,提取少量试样进行动载试验。结果表明,硅溶胶在粉砂地层中能够均匀输送。在相同的条件下,细粒土的量(淤泥含量)对交货时间有很大的影响。被动稳定方法适用于含有高达20%细级粉砂的沉积物,5 wt%的胶体二氧化硅浓度有望有效减轻这些沉积物的液化风险。地震循环荷载作用下的应变可能小于3%,产生的永久应变较小。
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引用次数: 3
[γ-Fe2O3-HAp-(CH2)3-NHSO3H] nanoparticles as a highly efficient and magnetically separable catalyst for green one-pot synthesis of 4(3H)-Quinazolinones [γ-Fe2O3-HAp-(CH2)3-NHSO3H]纳米颗粒作为绿色一锅合成4(3H)-喹唑啉酮的高效磁可分离催化剂
IF 1.5 Pub Date : 2015-12-01 DOI: 10.7508/IJND.2015.05.004
M. Dadgar, N. Kalkhorani
Quinazolinone derivatives are essential units in a wide range of relevant pharmacophores with a broad spectrum of abilities. Due to their wide range of pharmacological and therapeutic activities including anticonvulsant, anti-inflammatory, hypolipidemic, anticancer, and anti-ulcer, the synthesis of quinazolinone moieties as a privileged class of fused heterocyclic compounds, have received much attention. An efficient and one-pot three components route was developed for the synthesis of 4(3H)-quinazolinones using commercially available starting materials. In order to synthesis of target compounds in good to excellent yields, a reaction between isatoic anhydride, acylchlorides, and amines in the presence of propylsulfamic acid functionalized magnetic hydroxyapatite nanoparticle (a-Fe 2 O 3 -HAp- (CH 2 ) 3 -NHSO 3 H), as a highly efficient and magnetically separable Bronsted acid catalyst, was performed. The organic layer was dried over anhydrous Na 2 SO 4 and filtered. The filtrate was concentrated under vacuum and the residue was recrystallized from 96% EtOH to give 2, 3-disubstituted 4-(3H)-quinazolinone derivatives in high yield. The reaction condition including the solvents, the amount of (a-Fe 2 O 3 -HAp-(CH 2 ) 3 -NHSO 3 H), reaction time and required temperature was optimized.
喹唑啉酮衍生物是广泛的相关药效团的基本单位,具有广泛的功能。由于其广泛的药理和治疗活性,包括抗惊厥、抗炎、降血脂、抗癌和抗溃疡,喹唑啉酮部分作为一类特殊的融合杂环化合物的合成受到了广泛的关注。以市售原料为原料,建立了一锅三组分高效合成4(3H)-喹唑啉酮的工艺路线。为了制备收率较高的目标化合物,在丙基氨基磺酸功能化的磁性羟基磷灰石纳米粒子(a- fe 2 O 3 - hap - (CH 2) 3 - nhso 3 H)的存在下,进行了异核酸酐、酰基氯化物和胺的反应,作为一种高效的磁可分离的Bronsted酸催化剂。有机层在无水硫酸钠上干燥并过滤。滤液在真空下浓缩,残渣以96%的乙醚重结晶得到高产率的2,3 -二取代4-(3H)-喹唑啉酮衍生物。优化了反应条件,包括溶剂、(a- fe2o3 - hap -(ch2) 3 - nhso3h)用量、反应时间和反应温度。
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引用次数: 4
AN EXPERIMENTAL INVESTIGATION OF HEAT TRANSFER OF FE2O3/WATER NANOFLUID IN A DOUBLE PIPE HEAT EXCHANGER fe2o3 /水纳米流体在双管换热器中的换热实验研究
IF 1.5 Pub Date : 2015-12-01 DOI: 10.7508/IJND.2015.05.009
R. Aghayari, H. Maddah, J. B. Arani, H. Mohammadiun, E. Nikpanje
One way to increase the heat transfer is to use perforated twisted tapes with different hole diameters, which largely improve heat transfer with an increase in the heat transfer area at the constant volume and more mixed flow. In the previous studies, the effect of nanofluids with perforated twisted tapes is less studied. In this work, the performance of water / iron oxide nanofluid in a double pipe heat exchanger with perforated twisted tapes is investigated under turbulent flow regime. Reynolds number considered is in the range between 2500 to 20500. Iron oxide nanoparticles with diameter of 15 nm are used as nanofluid with the concentration range from 0.12 to 0.2% by volume. The results showed that the addition of nanoparticles increases the heat transfer and the Nusselt number. Also, reducing the twist ratio (H/D=2.5) of perforated twisted tape and using the nanofluid with concentration of 0.2%v/v increase this value by 130%.
增加换热的一种方法是使用不同孔径的带孔扭带,在定容和混流较多的情况下,增加换热面积,大大提高了换热效果。在以往的研究中,纳米流体对带孔扭曲带的影响研究较少。在紊流条件下,研究了水/氧化铁纳米流体在多孔扭带双管换热器中的性能。所考虑的雷诺数在2500到20500之间。采用直径为15 nm的氧化铁纳米颗粒作为纳米流体,其体积浓度范围为0.12 ~ 0.2%。结果表明,纳米颗粒的加入增加了传热量和努塞尔数。降低带孔扭带的扭转比(H/D=2.5),并使用浓度为0.2%v/v的纳米流体,可使扭转比提高130%。
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引用次数: 9
期刊
international journal of nano dimension
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