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Transport Coefficients of Ammonia Gas in Thermoplastic Polymers and Nanocomposites Used for Microelectronic Substrates Containers 用于微电子基板容器的热塑性聚合物和纳米复合材料中氨气的输运系数
Pub Date : 2020-05-01 DOI: 10.4028/www.scientific.net/DF.27.63
M. Tran, P. González-Aguirre, C. Beitia, J. Lundgren, S. Moon, H. Fontaine
Polymeric plastic boxes (named Front Opening Unified Pods (FOUP)) were widely used in semiconductor manufacture to maintain the cleanliness of processed wafer substrates in a controlled mini-environment. Polymeric materials, however, are able to sorb airborne molecular contaminants (AMCs) and subsequently to outgas the sorbed AMCs backward to FOUP’s atmosphere, causing the transfer of AMCs to sensitive stored substrates, named cross-contamination. As a type of AMCs, the NH3 cross-contamination could cause a severe yield loss to integrated circuits (crystals (haze), resist-development defects (T-topping) or metallic corrosion). Experiments were carried out to establish the NH3 sorption and desorption kinetics in polyetherimide (PEI), Entegris Barrier Material (EBM)), and EBM/carbon nanotubes (EBMCNT) at NH3 concentration of 800-ppbv, 21°C, and relative humidity of 40%. The transport coefficients i.e. solubility and diffusivity (DNH3 and SNH3) were then determined. The study on NH3 provides an additional guideline to choose the best raw materials for FOUP formulation in taking into account the potential cross-contamination of AMCs. Numerical simulation model based on obtained solubility and diffusivity values was conducted to demonstrate NH3 concentration profiles in FOUP walls during contamination and FOUP decontamination, which are inaccessible by conventional experiments.
聚合物塑料盒(称为前开口统一吊舱(FOUP))广泛应用于半导体制造,以在受控的微型环境中保持加工过的晶圆基板的清洁度。然而,聚合物材料能够吸收空气中的分子污染物(AMCs),随后将吸收的AMCs释放到FOUP的大气中,导致AMCs转移到敏感的储存底物,称为交叉污染。NH3交叉污染作为一种amc,会对集成电路造成严重的成品率损失(晶体(雾)、电阻发育缺陷(T-topping)或金属腐蚀)。在NH3浓度为800 ppbv、21℃、相对湿度为40%的条件下,研究了聚醚酰亚胺(PEI)、integris屏障材料(EBM)和EBM/碳纳米管(EBMCNT)对NH3的吸附和解吸动力学。然后测定了输运系数,即溶解度和扩散系数(DNH3和SNH3)。NH3的研究为在考虑AMCs潜在交叉污染的情况下选择最佳的FOUP原料提供了额外的指导。基于获得的溶解度和扩散系数数值模拟模型,展示了污染和净化过程中FOUP壁面的NH3浓度分布,这是常规实验无法获得的。
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引用次数: 1
Molecular Dynamics Determination of the Lattice Thermal Conductivity of the Cubic Phase of Hafnium Dioxide 二氧化铪立方相晶格热导率的分子动力学测定
Pub Date : 2020-05-01 DOI: 10.4028/www.scientific.net/DF.27.177
Leila Momenzadeh, I. Belova, G. Murch
The wide range of industrial applications is the main reason for an increased interest in dioxides such as HfO2. In this study, classical molecular dynamic simulations were performed to calculate the lattice thermal conductivity of the cubic phase of HfO2, over a temperature range of 100-3000 K, based on the Green-Kubo fluctuation method. In this research, the heat current autocorrelation function and lattice thermal conductivity were calculated in the a-direction. The lattice thermal conductivity of the cubic phase of HfO2 was found to be a result of three contributions. These were the optical and acoustic short-range and long-range phonon modes. Comparisons between the results of the research and experimental data when available indicate good agreement. Keywords: lattice thermal conductivity, molecular dynamics, Green-Kubo formalism, heat current autocorrelation function, hafnium dioxid
广泛的工业应用是人们对HfO2等二氧化氧化物越来越感兴趣的主要原因。在本研究中,基于Green-Kubo涨落法,进行经典分子动力学模拟,计算了HfO2立方相在100-3000 K温度范围内的晶格热导率。在本研究中,计算了a方向的热流自相关函数和晶格导热系数。发现HfO2立方相的晶格热导率是三个因素共同作用的结果。这些是光学和声学的短程和远程声子模式。研究结果与实验数据的比较表明,两者吻合良好。关键词:晶格导热系数,分子动力学,Green-Kubo形式,热流自相关函数,二氧化铪
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引用次数: 2
Numerical Modeling of Heat and Mass Transport with Inner Heat Exchange in Unsaturated Porous Media 非饱和多孔介质内换热传质的数值模拟
Pub Date : 2020-05-01 DOI: 10.4028/www.scientific.net/DF.27.166
J. Kacur, Patrik Mihala
We are focused to the numerical modelling of heat, contaminant and water transport in unsaturated porous media in 3D. The heat exchange between water and porous media matrix is taken into the account. The determination of heat energy transmission coefficient and matrix heat conductivity is solved by means of inverse problem methods. The mathematical model represents the conservation of heat, contaminant and water mass balance. It is expressed by coupled non-linear system of parabolic-elliptic equations. Mathematical model for water transport in unsaturated porous media is represented by Richard's type equation. Heat transport by water includes water flux, molecular diffusion and dispersion. A successful experiment scenario is suggested to determine the required parameters including heat transmission and matrix heat conductivity coefficients. Additionally we investigate contaminant transport with heat transmission and contaminant adsorption. The obtained experiments support our method suitable for solution of direct and inverse problems. This problem we have discussed previously in 1D model, but preferential streamlines in 1D thin tubes shadow accurate results in determination of required parameters. In our presented setting we consider a cylindrical sample which is suitable in laboratory experiments for inverse problems.
研究了非饱和多孔介质中热量、污染物和水分运移的三维数值模拟。考虑了水与多孔介质基质之间的热交换。利用反问题方法求解了传热系数和矩阵导热系数的确定。该数学模型体现了热守恒、污染物守恒和水质量平衡。用抛物-椭圆型方程组的非线性耦合系统来表示。非饱和多孔介质中水输运的数学模型用理查德式方程表示。水的热传递包括水通量、分子扩散和分散。提出了一个成功的实验场景,以确定所需的参数,包括传热系数和矩阵导热系数。此外,我们研究了污染物的传热传输和污染物吸附。实验结果表明,该方法适用于正问题和逆问题的求解。我们之前在一维模型中讨论过这个问题,但是一维细管中的优先流线会影响所需参数确定的准确结果。在我们所提出的设置中,我们考虑一个圆柱形样本,它适用于反问题的实验室实验。
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引用次数: 0
Analytical Investigation on the Evolution and Growth of β-Ti and Fe-Nb-Based Intermetallics in Diffusion Coupled Joints of Ti6Al4V|Nb|SS Ti6Al4V|Nb|SS扩散耦合接头中β-Ti和fe -Nb基金属间化合物演化与生长的分析研究
Pub Date : 2020-05-01 DOI: 10.4028/www.scientific.net/DF.27.3
Gopinath Thirunavukarasu, S. Kundu, Vivek V. Patel, A. Alankar
Herein, solid-state diffusion-coupled joints (DCJs) were prepared in vacuum between stainless steel (SS) and Ti6Al4V by means of a pure niobium (Nb) interlayer (~200-μm thickness) using uni-axial compressive pressure of 4 MPa at 875 °C for 15 to 120 min. Interfacial characterization revealed the existence of successive layer wise Fe–Nb-based intermetallics like FeNb+(Nb) and Fe2Nb at Nb|SS interfaces of DCJs processed from 60 to 120 min, but the DCJs processed for shorter duration (from 15 to 30 min) do not reveal any intermetallics; however, the DCJs processed for 45 min revealed a single reaction layer of FeNb whereas that of Ti6Al4V|Nb interfaces revealed solid solution behaviour for all bonding time intervals. Required chemical analysis (in at. pct) of the reaction products was found out using spectroscope and X-ray diffractometer. Mechanical characterization (at 32 °C) of the DCJs was carried out with a microhardness tester and tensile testing facility. Ti6Al4V|Nb interface experienced a hardness of ~298 HV (for all bonding time), whereas Nb|SS interface experienced ~200 HV for 15 and 30 min and ~650 HV for 45 min and longer. DCJs treated for 60 min have better strength properties. Manifestation of reaction layers: FeNb, FeNb+(Nb), and Fe2Nb have significant effect on the strength. From the interfacial microhardness, path and surface of fracture surfaces characterizations, it was revealed that failure of the DCJs was transmitted seemingly along Nb|SS interfaces. The analytical finding of intrinsic diffusivity of Ti atoms in Nb along Ti6Al4V|Nb interface is higher by one order of magnitude than the diffusivity results of Fe atoms in Nb along the Nb|SS interface. Experimental evidences show that the growth of the reaction products along Ti6Al4V|Nb interface (adj. R-Square=0.982) and Nb|SS interface (adj. R-Square=0.999) follows a parabolic law. Recently, researchers considered diffusion coupling as the key technology to fabricate Ti|Al|Al-Cf biomimetic structure, graphite|Nb|Cu for fusion reactor devices, Ni|Ni3Al for MEMS applications, hybrid heat exchangers for nuclear applications, etc.
在875℃、单轴压缩压力为4 MPa、处理时间为15 ~ 120 min的情况下,采用纯铌(Nb)夹层(厚度~200 μm)在真空中制备了不锈钢(SS)和Ti6Al4V之间的固态扩散耦合接头(DCJs)。界面表征表明,在处理60 ~ 120 min时,DCJs的Nb|SS界面上存在连续层状的fe - Nb基金属间化合物,如FeNb+(Nb)和Fe2Nb。但处理时间较短(15至30分钟)的DCJs未发现任何金属间化合物;然而,处理45分钟的DCJs显示出单一的FeNb反应层,而Ti6Al4V|Nb界面在所有键合时间间隔内都显示出固溶体行为。所需的化学分析(在。用分光镜和x射线衍射仪对反应产物进行了测定。采用显微硬度计和拉伸测试设备对DCJs进行了力学表征(32°C)。Ti6Al4V|Nb界面的硬度为~298 HV(在所有键合时间内),而Nb|SS界面的硬度为~200 HV(持续15和30分钟)和~650 HV(持续45分钟或更长时间)。处理60 min的DCJs具有较好的强度性能。反应层表现:FeNb、FeNb+(Nb)、Fe2Nb对强度有显著影响。从界面显微硬度、断口路径和断口形貌特征来看,DCJs的破坏似乎是沿Nb|SS界面传递的。分析发现Nb中Ti原子沿Ti6Al4V|Nb界面的本征扩散系数比Nb中Fe原子沿Nb|SS界面的扩散系数高一个数量级。实验结果表明,反应产物沿Ti6Al4V|Nb界面(adj. R-Square=0.982)和Nb|SS界面(adj. R-Square=0.999)的生长遵循抛物线规律。近年来,研究人员将扩散耦合作为制造Ti|Al|Al- cf仿生结构、石墨|Nb|Cu用于聚变反应堆器件、Ni|Ni3Al用于MEMS、核应用的混合热交换器等的关键技术。
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引用次数: 2
The Influence of the Shape and Size of the Nanostructures to the Atoms and Molecules Transport 纳米结构的形状和尺寸对原子和分子传输的影响
Pub Date : 2020-05-01 DOI: 10.4028/www.scientific.net/DF.27.115
E. Kalashnikov, I. Tolstikhin, N. Belova
The discrete Frenkel-Kontorova model for the movement of a foreign atom in a solid, obtained in the local chains approximation, led to the movement of the atom in the Frenkel-Kontorova (F-K) soliton form. This model made it possible to reveal the structure of the F-K soliton, to design the shapes of nanostructures and to take into account their influence on the F-K soliton. The transition to field variables leads the Frenkel-Kontorova equation to the sine-Gordon equation for the displacement field of an atom having solutions also in the form of a soliton. This equation and its solution (soliton) contains coefficients depending on the shape and size of nanostructures. The transition to the sine-Gordon equation allowed us to use the results of Theodorakopoulos 's works related to the consideration of the interaction of elastic vibration modes with a soliton. This made it possible to calculate the diffusion coefficient of the soliton and find the dependence of the diffusion coefficient on the shape and size of nanostructures and temperature.
在局部链近似下得到的固体中外来原子运动的离散Frenkel-Kontorova模型,导致原子以Frenkel-Kontorova (F-K)孤子形式运动。该模型可以揭示F-K孤子的结构,设计纳米结构的形状,并考虑它们对F-K孤子的影响。对场变量的转换将Frenkel-Kontorova方程引入到sin - gordon方程,该方程用于原子的位移场,其解也以孤子的形式存在。该方程及其解(孤子)包含取决于纳米结构形状和尺寸的系数。转换到正弦戈登方程使我们能够使用Theodorakopoulos的有关考虑弹性振动模态与孤子相互作用的工作的结果。这使得计算孤子的扩散系数成为可能,并找到扩散系数与纳米结构的形状和尺寸以及温度的依赖关系。
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引用次数: 0
Development of New Wrought Mg Alloys: Improving the Corrosion Resistance by Addition of Alloying Elements 新型变形镁合金的开发:添加合金元素提高其耐蚀性
Pub Date : 2020-05-01 DOI: 10.4028/www.scientific.net/DF.27.50
Guy Ben Hamu, Polina Metalnikov
Magnesium (Mg) alloys constitute an attractive structural material for transportation industries, due to their low density and high strength/weight ratio. However, high susceptibility to corrosion of Mg alloys limits their use. Therefore, there is a growing interest for development of new Mg alloys with good mechanical properties and superior corrosion resistance. Production of wrought Mg alloys results in enhancement of mechanical properties, whereas addition of alloying elements may result in improved corrosion behavior. In this study we distinguish the role of aluminum, zinc, tin and calcium additions on the corrosion performance of new wrought Mg alloys. Overall, addition of alloying elements resulted in precipitation of second phase particles with cathodic behavior (relatively to Mg matrix). This enhanced the micro-galvanic effects and the corrosion resistance in short periods of immersion was deteriorated. However, in longer periods of immersion the passive characteristics of the oxide layer played a significant role in improving the alloys' corrosion resistance. The contribution of each element to the oxide layer will be discussed in detail. In general, the quantities of alloying element should be sufficient to stabilize the corrosion products layer; yet as low as possible, in order to reduce the micro-galvanic effects.
镁合金因其低密度和高强度/重量比而成为交通运输行业中极具吸引力的结构材料。然而,镁合金的高腐蚀敏感性限制了其应用。因此,开发具有良好机械性能和优异耐腐蚀性能的新型镁合金日益受到人们的关注。变形镁合金的生产提高了镁合金的机械性能,而添加合金元素可能会改善镁合金的腐蚀性能。本文研究了铝、锌、锡和钙的加入对新型变形镁合金腐蚀性能的影响。总体而言,合金元素的加入导致析出具有阴极行为的第二相颗粒(相对于Mg基体)。这增强了微电效应,降低了短时间浸泡的耐蚀性。然而,在较长的浸泡时间内,氧化层的钝化特性对提高合金的耐蚀性起着显著的作用。我们将详细讨论每种元素对氧化层的贡献。一般情况下,合金元素的用量应足以稳定腐蚀产物层;还要尽可能的低,以减少微电效应。
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引用次数: 0
Influence of Heat Treatment on Microhardness and Phase Transformations in Cast and Homogenized 7075(-Sc-Zr) Aluminium Alloys 热处理对铸造和均匀化7075(-Sc-Zr)铝合金显微硬度和相变的影响
Pub Date : 2020-05-01 DOI: 10.4028/www.scientific.net/DF.27.25
M. Vlach, V. Kodetová, H. Kudrnová, M. Leibner, M. Cieslar, V. Šíma, L. Bajtošová, T. Kekule, V. Očenášek, J. Čížek
The positive effect of Sc,Zr-addition on mechanical properties in Al-based alloys preferred for automotive manufacture to produce lightweight vehicles is generally known. Microstructure, mechanical, electrical and thermal properties of the conventionally cast and homogenized (475 °C/60 min) Al-5.4wt.%Zn-3.1wt.%Mg-1.5wt.%Cu (7075) and Al-5.2wt.%Zn-3.0wt.%Mg-1.4wt.%Cu-0.2wt.%Sc-0.1wt.%Zr (7075-ScZr) alloys during isochronal annealing were characterized. Precipitation reactions were studied by microhardness, electrical resistivity and conductivity measurements, differential scanning calorimetry and positron annihilation spectroscopy. Microstructure observation by scanning and transmission electron microscopy proved the Zn,Mg,Cu-containing eutectic phase at grain boundaries in the alloys. The melting of this eutectic phase was observed at ~ 481 °C for the both alloys. The distinct changes in microhardness and electrical resistivity isochronal curves as well as in heat flow of the alloys studied are mainly caused by dissolution of the clusters/Guinier-Preston (GP) zones and by formation of the metastable phase particles of the Al–Zn–Mg–Cu system. Clusters/GP zones were formed during the cooling and/or in the course of the storage at room temperature. These clusters/GP zones were formed predominantly by Mg and Zn alloying elements. Hardening effect after isochronal annealing at temperatures above ~ 300 °C reflects the Sc,Zr-addition in both states of the 7075-ScZr alloy. Probably precipitation of the T-phase (Al2Zn3Mg3) and S-phase (Al2CuMg) particles took place during the annealing. The Sc,Zr-addition does not significantly influence precipitation of the particles formed in the Al–Zn–Mg–Cu system.
添加Sc、zr对铝基合金力学性能的积极影响是众所周知的,这是汽车制造生产轻量化汽车的首选。常规铸造和均质(475°C/60 min) Al-5.4wt.%Zn-3.1wt.%Mg-1.5wt的显微组织、力学、电学和热性能。%铜(7075)和al - 5.2 - wt. %锌- mg - 1.4 - 3.0 - wt. % wt. %铜- 0.2 wt. % sc - 0.1 wt。对%Zr (7075-ScZr)合金等时退火过程进行了表征。采用显微硬度、电阻率和电导率测量、差示扫描量热法和正电子湮没光谱对沉淀反应进行了研究。通过扫描电镜和透射电镜观察,发现合金晶界处存在含Zn、Mg、cu的共晶相。在~ 481℃时,两种合金的共晶相均发生了熔化。合金的显微硬度、电阻率等时曲线以及热流的显著变化主要是由于团簇/ GP带的溶解和Al-Zn-Mg-Cu体系亚稳相颗粒的形成所致。在冷却和/或室温储存过程中形成团簇/GP区。这些团簇/GP区主要由Mg和Zn合金元素形成。在~ 300℃以上等时退火后的硬化效应反映了7075-ScZr合金两种状态中Sc、zr的加入。退火过程中可能析出了t相(Al2Zn3Mg3)和s相(Al2CuMg)颗粒。Sc、zr的加入对Al-Zn-Mg-Cu体系中形成的颗粒析出没有显著影响。
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引用次数: 0
Numerical Analysis of an Isovolumetric Thermal Desorption Experiment 等体积热解吸实验的数值分析
Pub Date : 2020-05-01 DOI: 10.4028/www.scientific.net/DF.27.122
A. von der Weth, F. Arbeiter, K. Nagatou, V. Pasler, D. Klimenko, M. Schulz
Our research group is currently investigating a new kind of thermal desorption experiment (TDE), which uses a hydrogen isotope by loading-unloading process yielding transport parameters. Safety issues are limiting the hydrogen loading content to 3 % at 105 Pa, while former experiments are using pure hydrogen for the loading process at nearly same pressure e. g. [1]. Especially the thermal elongation coefficient (TDE operating conditions 300° to 500 °C compatibility to stainless steel) forces to think about an alternative material of boron silicate glass for specimen containment, in this paper copper will be discussed. The analysis of TDE concerns the amount of hydrogen stored in the specimen, stored in the time variable gas phase as well as stored in the containment material. These three phases are coupled by phase equilibrium. The here developed analysis procedure can currently only be performed numerically for a two dimensional geometry. However a two dimensional analytical solution regarding the same boundary condition is currently under investigation. One part of the solution results of this problem can be compared to an additional analytical solution with simpler boundary conditions, e.g. a vanishing hydrogen amount inside the specimen containment observed in steady state. The numerical results will be used to check the suitability of several experimental scenarios, for example the usability of a copper based specimen containment. The approach currently practiced in many experiments is to simply subtract the zero rate of hydrogen without considering the phase equilibrium between the three mentioned phases. The main goal of this analysis procedure consists in the solution of the inverse problem, namely the extraction of the transport parameters like Sieverts ́-and diffusion-constant from a measured time dependent desorption pressure increase.
我们课题组目前正在研究一种新的热脱附实验(TDE),该实验利用氢同位素通过加载-卸载过程产生输运参数。安全问题限制了105 Pa时氢气的加载含量为3%,而以前的实验是在几乎相同的压力(例如[1])下使用纯氢气进行加载过程。特别是热延伸系数(TDE工作条件300°至500°C与不锈钢的相容性)迫使考虑硼硅酸盐玻璃作为试样容器的替代材料,本文将对铜进行讨论。TDE的分析涉及储存在试样中的氢的量,储存在时变气相中以及储存在安全壳材料中。这三个相通过相平衡耦合。这里开发的分析程序目前只能对二维几何图形进行数值计算。然而,在相同边界条件下的二维解析解目前正在研究中。该问题的部分解结果可以与具有更简单边界条件的附加解析解进行比较,例如,在稳定状态下观察到的试样容器内氢气量消失。数值结果将用于检查几个实验场景的适用性,例如铜基试样容器的可用性。目前在许多实验中采用的方法是简单地减去氢的零速率,而不考虑上述三个相之间的相平衡。该分析过程的主要目标在于求解反问题,即从测量的随时间变化的解吸压力增加中提取输运参数,如Sieverts和扩散常数。
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引用次数: 4
Engineering Fluid Flows and Heat Transfer Analysis 工程流体流动和传热分析
Pub Date : 2020-03-02 DOI: 10.4028/b-berg6o
H. Laidoudi, O. Makinde
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引用次数: 0
Boundary Layer Flow of Casson Fluid on Exponentially Stretching Porous Surface with Radiative Heat Transfer 卡森流体在指数拉伸多孔表面的边界层流动及辐射传热
Pub Date : 2020-03-01 DOI: 10.4028/www.scientific.net/DF.26.112
I. Y. Seini, Golbert Aloliga, B. Ziblim, O. Makinde
An analysis of aCasson fluid flowing over a porous exponentially stretching surface with radiation has been studied. A non-Newtonian fluid model was developed for the flow and similarity analysis used in the transformation process. The model of partial differential equations was transformed into ordinary differential equations and reduced into a system of first order differential equations which was then solved using the Fourth-order Runge-Kutta algorithm alongside the Newton Raphson shooting method. The results have been presented graphically and in tabular form for various controlling parameters of the problem. It is observed that general control can be achieved by the permeability of the surface and the value of the Casson parameter.
研究了带辐射的aCasson流体在多孔指数拉伸表面上的流动。建立了一个非牛顿流体模型,用于转换过程的流动和相似分析。将偏微分方程模型转化为常微分方程,并化简为一阶微分方程组,利用四阶龙格-库塔算法和牛顿-拉夫森射击法求解。对问题的各种控制参数,用图形和表格的形式给出了结果。观察到,表面渗透率和卡森参数值可以实现一般控制。
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引用次数: 3
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Diffusion Foundations
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