Search results for: homology modeling

Authors: A. Brener, B. Ismailov, G. Berdalieva

Abstract:

In the paper we submit the modification of kinetic Smoluchowski equation for binary aggregation applying to systems with chemical reactions of first and second orders in which the main product is insoluble. The goal of this work is to create theoretical foundation and engineering procedures for calculating the chemical apparatuses in the conditions of joint course of chemical reactions and processes of aggregation of insoluble dispersed phases which are formed in working zones of the reactor.

Keywords: Binary aggregation, Clusters, Chemical reactions, Insoluble phases.

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Authors: Er. Satwinder Singh, Dr. K.S. Kahlon, Rakesh Kumar, Er. Gurjeet Singh

Abstract:

The most reliable and accurate description of the actual behavior of a software system is its source code. However, not all questions about the system can be answered directly by resorting to this repository of information. What the reverse engineering methodology aims at is the extraction of abstract, goal-oriented “views" of the system, able to summarize relevant properties of the computation performed by the program. While concentrating on reverse engineering we had modeled the C++ files by designing the translator.

Keywords: Translator, Modeling, UML, DYNO, ISVis, TED.

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Authors: R. D. Kulkarni, Mayur Chaudhari, S. Mishra

Abstract:

Curing of paints by exposure to UV radiations is emerging as one of the best film forming technique as an alternative to traditional solvent borne oxidative and thermal curing coatings. The composition and chemistry of UV curable coatings and role of multifunctional and monofunctional monomers, oligomers, and photoinitiators have been discussed. The limitations imposed by thermodynamic equilibrium and tendency for acrylic double bond polymerizations during synthesis of multifunctional acrylates have been presented. Aim of present investigation was thus to explore the reaction variables associated with synthesis of multifunctional acrylates. Zirconium oxychloride was evaluated as catalyst against regular acid functional catalyst. The catalyzed synthesis of glyceryl acrylate and neopentyl glycol acrylate was conducted by variation of following reaction parameters: two different reactant molar ratios- 1:4 and 1:6; catalyst usage in % by moles on polyol- 2.5, 5.0 and 7.5 and two different reaction temperatures- 45 and 75 0C. The reaction was monitored by determination of acid value and hydroxy value at regular intervals, besides TLC, HPLC, and FTIR analysis of intermediates and products. On the basis of determination of reaction progress over 1-60 hrs, the esterification reaction was observed to follow 2nd order kinetics with rate constant varying from 1*10-4 to 7*10-4. The thermal and catalytic components of second order rate constant and energy of activation were also determined. Uses of these kinetic and thermodynamic parameters in design of reactor for manufacture of multifunctional acrylate ester have been presented. The synthesized multifunctional acrylates were used to formulate and apply UV curable clear coat followed by determination of curing characteristics and mechanical properties of cured film. The overall curing rates less than 05 min. were easily attained indicating economical viability of radiation curable system due to faster production schedules

Keywords: glyceryl acrylate, neopentyl glycol acrylate, kinetic modeling, zirconium oxychloride.

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Authors: Berardina De Carolis, Giovanni Cozzolongo

Abstract:

In this paper, we present C@sa, a multiagent system aiming at modeling, controlling and simulating the behavior of an intelligent house. The developed system aims at providing to architects, designers and psychologists a simulation and control tool for understanding which is the impact of embedded and pervasive technology on people daily life. In this vision, the house is seen as an environment made up of independent and distributed devices, controlled by agents, interacting to support user's goals and tasks.

Keywords: Ambient intelligence, agent-based systems, influence diagrams.

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Authors: R. Masarova, M. Juhas, B. Juhasova, Z. Sutova

Abstract:

In dynamic system theory a mathematical model is often used to describe their properties. In order to find a transfer matrix of a dynamic system we need to calculate an inverse matrix. The paper contains the fusion of the classical theory and the procedures used in the theory of automated control for calculating the inverse matrix. The final part of the paper models the given problem by the Matlab.

Keywords: Dynamic system, transfer matrix, inverse matrix, modeling.

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Authors: T.C. Manjunath, B. Bandyopadhyay

Abstract:

This paper features the proposed modeling and design of a Robust Decentralized Periodic Output Feedback (RDPOF) control technique for the active vibration control of smart flexible multimodel Euler-Bernoulli cantilever beams for a multivariable (MIMO) case by retaining the first 6 vibratory modes. The beam structure is modeled in state space form using the concept of piezoelectric theory, the Euler-Bernoulli beam theory and the Finite Element Method (FEM) technique by dividing the beam into 4 finite elements and placing the piezoelectric sensor / actuator at two finite element locations (positions 2 and 4) as collocated pairs, i.e., as surface mounted sensor / actuator, thus giving rise to a multivariable model of the smart structure plant with two inputs and two outputs. Five such multivariable models are obtained by varying the dimensions (aspect ratios) of the aluminum beam, thus giving rise to a multimodel of the smart structure system. Using model order reduction technique, the reduced order model of the higher order system is obtained based on dominant eigen value retention and the method of Davison. RDPOF controllers are designed for the above 5 multivariable-multimodel plant. The closed loop responses with the RDPOF feedback gain and the magnitudes of the control input are observed and the performance of the proposed multimodel smart structure system with the controller is evaluated for vibration control.

Keywords: Smart structure, Euler-Bernoulli beam theory, Periodic output feedback control, Finite Element Method, State space model, SISO, Embedded sensors and actuators, Vibration control, Reduced order model

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Authors: Hamid Mozafari, Andreas Öchsner, Amran Alias

Abstract:

Imperfect transmission conditions modeling a thin reactive 2D interphases layer between two dissimilar bonded strips have been extracted. In this paper, the soundness of these transmission conditions for heat conduction problems are examined by the finite element method for a strong temperature-dependent source or sink and non-monotonic temperature distributions around the faces..

Keywords: Imperfect interface, Transmission conditions, Finiteelement analysis, Interphase

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Authors: Kee-Young Kwahk, Xi Ge, Jun-Hyung Park

Abstract:

This study aims to examine the determinants of purchase intention in C2C e-commerce. Specifically the role of instant messaging in the C2C e-commerce contextis investigated. In addition to instant messaging, we brought in two antecedents of purchase intention - trust and customer satisfaction - to establish a theoretical research model. Structural equation modeling using LISREL was used to analyze the data.We discussed the research findings and suggested some implications for researchers and practitioners.

Keywords: E-commerce, Online marketing, C2C, Purchase Intention

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Authors: Xiaohui Han, Yuhan Wang, Jing Shi

Abstract:

This paper proposed a stiffness analysis method for a 3-PRS mechanism for welding thick aluminum plate using FSW technology. In the molding process, elastic deformation of lead-screws and links are taken into account. This method is based on the virtual work principle. Through a survey of the commonly used stiffness performance indices, the minimum and maximum eigenvalues of the stiffness matrix are used to evaluate the stiffness of the 3-PRS mechanism. Furthermore, A FEA model has been constructed to verify the method. Finally, we redefined the workspace using the stiffness analysis method.

Keywords: 3-PRS, parallel mechanism, stiffness analysis, workspace.

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Authors: C. Patrascioiu, V. Matei, N. Nicolae

Abstract:

The paper describes the experiments and the kinetic parameters calculus of the gasoil hydrofining. They are presented experimental results of gasoil hidrofining using Mo and promoted with Ni on aluminum support catalyst. The authors have adapted a kinetic model gasoil hydrofining. Using this proposed kinetic model and the experimental data they have calculated the parameters of the model. The numerical calculus is based on minimizing the difference between the experimental sulf concentration and kinetic model estimation.

Keywords: Hydrofining, kinetic, modeling, optimization.

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Authors: N. Santatriniaina, J. Deseure, T.Q. Nguyen, H. Fontaine, C. Beitia, L. Rakotomanana

Abstract:

Nowadays, with the increasing of the wafer's size and the decreasing of critical size of integrated circuit manufacturing in modern high-tech, microelectronics industry needs a maximum attention to challenge the contamination control. The move to 300 [mm] is accompanied by the use of Front Opening Unified Pods for wafer and his storage. In these pods an airborne cross contamination may occur between wafers and the pods. A predictive approach using modeling and computational methods is very powerful method to understand and qualify the AMCs cross contamination processes. This work investigates the required numerical tools which are employed in order to study the AMCs cross-contamination transfer phenomena between wafers and FOUPs. Numerical optimization and finite element formulation in transient analysis were established. Analytical solution of one dimensional problem was developed and the calibration process of physical constants was performed. The least square distance between the model (analytical 1D solution) and the experimental data are minimized. The behavior of the AMCs intransient analysis was determined. The model framework preserves the classical forms of the diffusion and convection-diffusion equations and yields to consistent form of the Fick's law. The adsorption process and the surface roughness effect were also traduced as a boundary condition using the switch condition Dirichlet to Neumann and the interface condition. The methodology is applied, first using the optimization methods with analytical solution to define physical constants, and second using finite element method including adsorption kinetic and the switch of Dirichlet to Neumann condition.

Keywords: AMCs, FOUP, cross-contamination, adsorption, diffusion, numerical analysis, wafers, Dirichlet to Neumann, finite elements methods, Fick’s law, optimization.

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Authors: J. X. Dong, C. J. An, Z. Chen, E. H. Owens, M. C. Boufadel, E. Taylor, K. Lee

Abstract:

Shorelines are vulnerable to significant environmental impacts from oil spills. Stranded oil can cause potential short- to long-term detrimental effects along beaches that include injuries to ecosystem, socio-economic and cultural resources. In this study, a three-dimensional (3D) numerical modeling approach is developed to evaluate the fate and transport of spilled oil for hypothetical oiled shoreline cases under various combinations of beach geomorphology and environmental conditions. The developed model estimates the spatial and temporal distribution of spilled oil for the various test conditions, using the finite volume method and considering the physical transport (dispersion and advection), sinks, and sorption processes. The model includes a user-friendly interface for data input on variables such as beach properties, environmental conditions, and physical-chemical properties of spilled oil. An experimental meso-scale tank design was used to test the developed model for dissolved petroleum hydrocarbon within shorelines. The simulated results for effects of different sediment substrates, oil types, and shoreline features for the transport of spilled oil are comparable to that obtained with a commercially available model. Results show that the properties of substrates and the oil removal by shoreline effects have significant impacts on oil transport in the beach area. Sensitivity analysis, through the application of the one-step-at-a-time method (OAT), for the 3D model identified hydraulic conductivity as the most sensitive parameter. The 3D numerical model allows users to examine the behavior of oil on and within beaches, assess potential environmental impacts, and provide technical support for decisions related to shoreline clean-up operations.

Keywords: dissolved petroleum hydrocarbons, environmental multimedia model, finite volume method, FVM, sensitivity analysis, total petroleum hydrocarbons, TPH

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Authors: Rinaldo Christian Tanumara, Ming Xie

Abstract:

Color categorization is shared among members in a society. This allows communication of color, especially when using natural language such as English. Hence sociable robot, to live coexist with human in human society, must also have the shared color categorization. To achieve this, many works have been done relying on modeling of human color perception and mathematical complexities. In contrast, in this work, the computer as brain of the robot learns color categorization through interaction with humans without much mathematical complexities.

Keywords: Color categorization, color learning, machinelearning.

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Authors: Laura Álvarez Antón, Joaquín Díaz

Abstract:

The construction industry is turning towards sustainability. It is a well-known fact that sustainability is based on a balance between environmental, social and economic aspects. In order to achieve sustainability efficiently, these three criteria should be taken into account in the initial project phases, since that is when a project can be influenced most effectively. Thus the aim must be to integrate important tools like BIM and LCA at an early stage in order to make full use of their potential. With the synergies resulting from the integration of BIM and LCA, a wider approach to sustainability becomes possible, covering the three pillars of sustainability.

Keywords: Building Information Modeling (BIM), Construction Industry, Design Phase, Life Cycle Assessment (LCA), Sustainability.

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Authors: Francois T. Pronk, Steven J. Hulshoff

Abstract:

A study of various turbulent inflow generation methods was performed to compare their relative effectiveness for LES computations of turbulent boundary layers. This study confirmed the quality of the turbulent information produced by the family of recycling and rescaling methods which take information from within the computational domain. Furthermore, more general inflow methods also proved applicable to such simulations, with a precursor-like inflow and a random inflow augmented with forcing planes showing promising results.

Keywords: Boundary layer, Flat plate, Inflow modeling, LES

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Authors: Yasusi Kanada

Abstract:

When printing a plate (or dish) by an FDM 3D printer, the process normally requires support material, which causes several problems. This paper proposes a method for forming thin plates without using wasteful support material. This method requires several extraordinary parameter values when slicing plates. The experiments show that the plates can, for the most part, be successfully formed using a conventional slicer and a 3D printer; however, seams between layers spoil them and the quality of printed objects strongly depends on the slicer.

Keywords: Fused deposition modeling (FDM), 3D printing, Support-less, Layer seam, Slicer.

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Authors: N. Azhikhanov, T. Turimbetov, Zh. Masanov, N. Zhunisov

Abstract:

It can be determined in preference between representative mechanical and mathematical model of elasticcreeping deformation of transversally isotropic array with doubly periodic system of tilted slots, and offer of the finite elements calculation scheme, and inspection of the states of two diagonal arbitrary profile cavities of deep inception, and in setting up the tense and dislocation fields distribution nature in computing processes.

Keywords: Mathematical model, tunnel, transversally isotropic, finite elements.

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Authors: Rahim Jafari, Tuba Okutucu-Özyurt

Abstract:

The hydrodynamics and heat transfer characteristics of a vaporized elongated bubble in a rectangular microchannel have been simulated based on Cahn-Hilliard phase-field method. In the simulations, the initially nucleated bubble starts growing as it comes in contact with superheated water. The growing shape of the bubble compared well with the available experimental data in the literature.

Keywords: Microchannel, boiling, Cahn-Hilliard method, Two-phase flow, Simulation.

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Authors: Huei-Fu Lu

Abstract:

This study links up the theories of social psychology, economics and sport management to assess the impact of sport participation on subjective well-being (SWB) and use a simple statistic method to estimate the relative monetary value that sport participation derives SWB for Taiwan-s college students. By constructing proper measurements on sport participation and SWB respectively, a structural equation model (SEM) is developed to perform a confirmatory factory analysis, and the causal relationship between sport participation and SWB as well as the effect of the demographic variables on these two concepts are also discussed.

Keywords: Demographics, Economic value, Sport participation, Structural equation modeling (SEM), Subjective well-being.

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Authors: Francisco Echarte, José Javier Astrain, Alberto Córdoba, Jesús Villadangos

Abstract:

Ontologies and tagging systems are two different ways to organize the knowledge present in the current Web. In this paper we propose a simple method to model folksonomies, as tagging systems, with ontologies. We show the scalability of the method using real data sets. The modeling method is composed of a generic ontology that represents any folksonomy and an algorithm to transform the information contained in folksonomies to the generic ontology. The method allows representing folksonomies at any instant of time.

Keywords: Folksonomies, ontologies, OWL, semantic web.

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Authors: Dchieche Amina, Aboulaich Rajae

Abstract:

Profit and loss sharing suggests an equitable sharing of risks and profits between the parts involved in a financial transaction. Salam is a contract in which advance payment is made for goods to be delivered at a future date. The purpose of this work is to price a new contract for profit and loss sharing based on Salam contract, using Khiyar Al Ghabn which is an agreement of choice in case of misrepresent facts.

Keywords: Islamic finance, Shariah compliance, profit and loss sharing, derivatives, risks, hedging, salam contract.

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Authors: Jarno Haapamäki, Juha Röning

Abstract:

Scale defects are common surface defects in hot steel rolling. The modelling of such defects is problematic and their causes are not straightforward. In this study, we investigated genetic algorithms in search for a mathematical solution to scale formation. For this research, a high-dimensional data set from hot steel rolling process was gathered. The synchronisation of the variables as well as the allocation of the measurements made on the steel strip were solved before the modelling phase.

Keywords: Genetic algorithms, hot strip rolling, knowledge discovery, modeling.

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Authors: Mousavian, M. Moghimi Mofrad, M. H. Vakili, D. Ashouri, R. Alizadeh

Abstract:

The aim of this research is to use artificial neural networks computing technology for estimating the net heating value (NHV) of crude oil by its Properties. The approach is based on training the neural network simulator uses back-propagation as the learning algorithm for a predefined range of analytically generated well test response. The network with 8 neurons in one hidden layer was selected and prediction of this network has been good agreement with experimental data.

Keywords: Neural Network, Net Heating Value, Crude Oil, Experimental, Modeling.

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Authors: Daniel Heibert, Brian Lithgow, Kerry Hourigan

Abstract:

This paper attempts to explain response components of Electrovestibulography (EVestG) using a computer simulation of a three-canal model of the vestibular system. EVestG is a potentially new diagnostic method for Meniere's disease. EVestG is a variant of Electrocochleography (ECOG), which has been used as a standard method for diagnosing Meniere's disease - it can be used to measure the SP/AP ratio, where an SP/AP ratio greater than 0.4-0.5 is indicative of Meniere-s Disease. In EVestG, an applied head tilt replaces the acoustic stimulus of ECOG. The EVestG output is also an SP/AP type plot, where SP is the summing potential, and AP is the action potential amplitude. AP is thought of as being proportional to the size of a population of afferents in an excitatory neural firing state. A simulation of the fluid volume displacement in the vestibular labyrinth in response to various types of head tilts (ipsilateral, backwards and horizontal rotation) was performed, and a simple neural model based on these simulations developed. The simple neural model shows that the change in firing rate of the utricle is much larger in magnitude than the change in firing rates of all three semi-circular canals following a head tilt (except in a horizontal rotation). The data suggests that the change in utricular firing rate is a minimum 2-3 orders of magnitude larger than changes in firing rates of the canals during ipsilateral/backward tilts. Based on these results, the neural response recorded by the electrode in our EVestG recordings is expected to be dominated by the utricle in ipsilateral/backward tilts (It is important to note that the effect of the saccule and efferent signals were not taken into account in this model). If the utricle response dominates the EVestG recordings as the modeling results suggest, then EVestG has the potential to diagnose utricular hair cell damage due to a viral infection (which has been cited as one possible cause of Meniere's Disease).

Keywords: Diagnostic, endolymph hydrops, Meniere's disease, modeling.

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Authors: Mourtou Efstratia, Abdel-Badeeh M. Salem, Pavlidis George

Abstract:

Hierarchical high-level PNs (HHPNs) with time versions are a useful tool to model systems in a variety of application domains, ranging from logistics to complex workflows. This paper addresses an application domain which is receiving more and more attention: procedure that arranges the final inpatient charge in payment-s office and their management. We shall prove that Petri net based analysis is able to improve the delays during the procedure, in order that inpatient charges could be more reliable and on time.

Keywords: eHealth, Petri-Nets, Hospital Services, InpatientCharges, Workflow Modeling.

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Authors: Huan Xiong, Ming Chen

Abstract:

In order to research Internet quantificationally and better model the performance of network, this paper proposes a novel AS level network performance model (MNPM), it takes autonomous system (AS) as basic modeling unit, measures E2E performance between any two outdegrees of an AS and organizes measurement results into matrix form which called performance matrix (PM). Inter-AS performance calculation is defined according to performance information stored in PM. Simulation has been implemented to verify the correctness of MNPM and a practical application of MNPM (network congestion detection) is given.

Keywords: AS, network performance, model, metric, congestion.

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Authors: Maya Rupert, Salima Hassas, Carlos Li, John Sherwood

Abstract:

Online Communities are an example of sociallyaware, self-organising, complex adaptive computing systems. The multi-agent systems (MAS) paradigm coordinated by self-organisation mechanisms has been used as an effective way for the simulation and modeling of such systems. In this paper, we propose a model for simulating an online health community using a situated multi-agent system approach, governed by the co-evolution of the social and spatial organisations of the agents.

Keywords: multi-agent systems, organizations, online communities.

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Authors: Muhammad Amjad Sohail, Prof. Yan Chao, Mukkarum Husain

Abstract:

Flow field around hypersonic vehicles is very complex and difficult to simulate. The boundary layers are squeezed between shock layer and body surface. Resolution of boundary layer, shock wave and turbulent regions where the flow field has high values is difficult of capture. Detached eddy simulation (DES) is a modification of a RANS model in which the model switches to a subgrid scale formulation in regions fine enough for LES calculations. Regions near solid body boundaries and where the turbulent length scale is less than the maximum grid dimension are assigned the RANS mode of solution. As the turbulent length scale exceeds the grid dimension, the regions are solved using the LES mode. Therefore the grid resolution is not as demanding as pure LES, thereby considerably cutting down the cost of the computation. In this research study hypersonic flow is simulated at Mach 8 and different angle of attacks to resolve the proper boundary layers and discontinuities. The flow is also simulated in the long wake regions. Mesh is little different than RANS simulations and it is made dense near the boundary layers and in the wake regions to resolve it properly. Hypersonic blunt cone cylinder body with frustrum at angle 5o and 10 o are simulated and there aerodynamics study is performed to calculate aerodynamics characteristics of different geometries. The results and then compared with experimental as well as with some turbulence model (SA Model). The results achieved with DES simulation have very good resolution as well as have excellent agreement with experimental and available data. Unsteady simulations are performed for DES calculations by using duel time stepping method or implicit time stepping. The simulations are performed at Mach number 8 and angle of attack from 0o to 10o for all these cases. The results and resolutions for DES model found much better than SA turbulence model.

Keywords: Detached eddy simulation, dual time stepping, hypersonic flow, turbulence modeling

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Authors: Monjed Ezzeddinne, Nicolas Lefebvre, Régis Lengellé

Abstract:

This paper presents a new version of the SVM mixture algorithm initially proposed by Kwok for classification and regression problems. For both cases, a slight modification of the mixture model leads to a standard SVM training problem, to the existence of an exact solution and allows the direct use of well known decomposition and working set selection algorithms. Only the regression case is considered in this paper but classification has been addressed in a very similar way. This method has been successfully applied to engine pollutants emission modeling.

Keywords: Identification, Learning systems, Mixture ofExperts, Support Vector Machines.

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Authors: M. Sasajima, M. Watanabe, T. Yamaguchi Y. Kurosawa, Y. Koike

Abstract:

In very narrow pathways, the speed of sound propagation and the phase of sound waves change due to the air viscosity. We have developed a new finite element method (FEM) that includes the effects of air viscosity for modeling a narrow sound pathway. This method is developed as an extension of the existing FEM for porous sound-absorbing materials. The numerical calculation results for several three-dimensional slit models using the proposed FEM are validated against existing calculation methods.

Keywords: Simulation, FEM, air viscosity, slit.

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