Diffusion Foundations最新文献

{"title":"Transport Coefficients of Ammonia Gas in Thermoplastic Polymers and Nanocomposites Used for Microelectronic Substrates Containers","authors":"M. Tran, P. González-Aguirre, C. Beitia, J. Lundgren, S. Moon, H. Fontaine","doi":"10.4028/www.scientific.net/DF.27.63","DOIUrl":"https://doi.org/10.4028/www.scientific.net/DF.27.63","url":null,"abstract":"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.","PeriodicalId":311581,"journal":{"name":"Diffusion Foundations","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2020-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"134395946","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Molecular Dynamics Determination of the Lattice Thermal Conductivity of the Cubic Phase of Hafnium Dioxide","authors":"Leila Momenzadeh, I. Belova, G. Murch","doi":"10.4028/www.scientific.net/DF.27.177","DOIUrl":"https://doi.org/10.4028/www.scientific.net/DF.27.177","url":null,"abstract":"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","PeriodicalId":311581,"journal":{"name":"Diffusion Foundations","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2020-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"129727077","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Numerical Modeling of Heat and Mass Transport with Inner Heat Exchange in Unsaturated Porous Media","authors":"J. Kacur, Patrik Mihala","doi":"10.4028/www.scientific.net/DF.27.166","DOIUrl":"https://doi.org/10.4028/www.scientific.net/DF.27.166","url":null,"abstract":"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.","PeriodicalId":311581,"journal":{"name":"Diffusion Foundations","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2020-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"132662335","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Analytical Investigation on the Evolution and Growth of β-Ti and Fe-Nb-Based Intermetallics in Diffusion Coupled Joints of Ti6Al4V|Nb|SS","authors":"Gopinath Thirunavukarasu, S. Kundu, Vivek V. Patel, A. Alankar","doi":"10.4028/www.scientific.net/DF.27.3","DOIUrl":"https://doi.org/10.4028/www.scientific.net/DF.27.3","url":null,"abstract":"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.","PeriodicalId":311581,"journal":{"name":"Diffusion Foundations","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2020-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"121393567","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The Influence of the Shape and Size of the Nanostructures to the Atoms and Molecules Transport","authors":"E. Kalashnikov, I. Tolstikhin, N. Belova","doi":"10.4028/www.scientific.net/DF.27.115","DOIUrl":"https://doi.org/10.4028/www.scientific.net/DF.27.115","url":null,"abstract":"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.","PeriodicalId":311581,"journal":{"name":"Diffusion Foundations","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2020-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"130298596","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Development of New Wrought Mg Alloys: Improving the Corrosion Resistance by Addition of Alloying Elements","authors":"Guy Ben Hamu, Polina Metalnikov","doi":"10.4028/www.scientific.net/DF.27.50","DOIUrl":"https://doi.org/10.4028/www.scientific.net/DF.27.50","url":null,"abstract":"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.","PeriodicalId":311581,"journal":{"name":"Diffusion Foundations","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2020-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"127406629","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Influence of Heat Treatment on Microhardness and Phase Transformations in Cast and Homogenized 7075(-Sc-Zr) Aluminium Alloys","authors":"M. Vlach, V. Kodetová, H. Kudrnová, M. Leibner, M. Cieslar, V. Šíma, L. Bajtošová, T. Kekule, V. Očenášek, J. Čížek","doi":"10.4028/www.scientific.net/DF.27.25","DOIUrl":"https://doi.org/10.4028/www.scientific.net/DF.27.25","url":null,"abstract":"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.","PeriodicalId":311581,"journal":{"name":"Diffusion Foundations","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2020-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"126756355","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Numerical Analysis of an Isovolumetric Thermal Desorption Experiment","authors":"A. von der Weth, F. Arbeiter, K. Nagatou, V. Pasler, D. Klimenko, M. Schulz","doi":"10.4028/www.scientific.net/DF.27.122","DOIUrl":"https://doi.org/10.4028/www.scientific.net/DF.27.122","url":null,"abstract":"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.","PeriodicalId":311581,"journal":{"name":"Diffusion Foundations","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2020-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"129233921","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Engineering Fluid Flows and Heat Transfer Analysis","authors":"H. Laidoudi, O. Makinde","doi":"10.4028/b-berg6o","DOIUrl":"https://doi.org/10.4028/b-berg6o","url":null,"abstract":"","PeriodicalId":311581,"journal":{"name":"Diffusion Foundations","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2020-03-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141225153","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Boundary Layer Flow of Casson Fluid on Exponentially Stretching Porous Surface with Radiative Heat Transfer","authors":"I. Y. Seini, Golbert Aloliga, B. Ziblim, O. Makinde","doi":"10.4028/www.scientific.net/DF.26.112","DOIUrl":"https://doi.org/10.4028/www.scientific.net/DF.26.112","url":null,"abstract":"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.","PeriodicalId":311581,"journal":{"name":"Diffusion Foundations","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2020-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"117221490","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}