Pub Date : 2022-04-18DOI: 10.1142/s2047684122500087
M. A. Pamungkas, Anisa Widyaningrum, Istiroyah
{"title":"Reactive Molecular Dynamic Simulations of Hydrogenation Process of Amorphous Silicon Nitride","authors":"M. A. Pamungkas, Anisa Widyaningrum, Istiroyah","doi":"10.1142/s2047684122500087","DOIUrl":"https://doi.org/10.1142/s2047684122500087","url":null,"abstract":"","PeriodicalId":45186,"journal":{"name":"International Journal of Computational Materials Science and Engineering","volume":null,"pages":null},"PeriodicalIF":1.3,"publicationDate":"2022-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43952744","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}
Pub Date : 2022-04-18DOI: 10.1142/s2047684122500075
B. Mahfoud
{"title":"Simulation of Magnetic Field Effect on Heat Transfer Enhancement of Swirling Nanofluid","authors":"B. Mahfoud","doi":"10.1142/s2047684122500075","DOIUrl":"https://doi.org/10.1142/s2047684122500075","url":null,"abstract":"","PeriodicalId":45186,"journal":{"name":"International Journal of Computational Materials Science and Engineering","volume":null,"pages":null},"PeriodicalIF":1.3,"publicationDate":"2022-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47264293","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}
Pub Date : 2022-04-18DOI: 10.1142/s2047684122500063
G. Kishore Chowdari, Dr D V V Krishna Prasad, S. Devireddy
{"title":"A Micromechanical and Numerical Model for Effective Thermal Conductivity of Areca Fiber and Coconut Shell Particulate Reinforced Hybrid Composites","authors":"G. Kishore Chowdari, Dr D V V Krishna Prasad, S. Devireddy","doi":"10.1142/s2047684122500063","DOIUrl":"https://doi.org/10.1142/s2047684122500063","url":null,"abstract":"","PeriodicalId":45186,"journal":{"name":"International Journal of Computational Materials Science and Engineering","volume":null,"pages":null},"PeriodicalIF":1.3,"publicationDate":"2022-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46823641","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}
Pub Date : 2022-03-28DOI: 10.1142/s2047684122500026
R. Lianngenga, J. Lalvohbika, S. Singh
The problems of elastic wave propagation in the micropolar porous materials have been attempted under the interaction of micro-rotation tensor and porous distribution in this material. We obtain the existence of three coupled longitudinal and two coupled shear waves propagating with different phase speeds. Numerically, the phase speed and attenuation of five basic waves are computed. We consider the incident plane waves at the boundary of micropolar porous materials, then the dispersive nature of the incident waves is studied and the existence of critical angle for the incident shear wave is found. The amplitude and energy ratios of various reflected waves for the incident coupled longitudinal and shear waves are obtained analytically and numerically. Further, the influence of different material parameters is studied using dispersion relation and the relevant numerical values.
{"title":"Incident waves at the surface of micropolar porous materials","authors":"R. Lianngenga, J. Lalvohbika, S. Singh","doi":"10.1142/s2047684122500026","DOIUrl":"https://doi.org/10.1142/s2047684122500026","url":null,"abstract":"The problems of elastic wave propagation in the micropolar porous materials have been attempted under the interaction of micro-rotation tensor and porous distribution in this material. We obtain the existence of three coupled longitudinal and two coupled shear waves propagating with different phase speeds. Numerically, the phase speed and attenuation of five basic waves are computed. We consider the incident plane waves at the boundary of micropolar porous materials, then the dispersive nature of the incident waves is studied and the existence of critical angle for the incident shear wave is found. The amplitude and energy ratios of various reflected waves for the incident coupled longitudinal and shear waves are obtained analytically and numerically. Further, the influence of different material parameters is studied using dispersion relation and the relevant numerical values.","PeriodicalId":45186,"journal":{"name":"International Journal of Computational Materials Science and Engineering","volume":null,"pages":null},"PeriodicalIF":1.3,"publicationDate":"2022-03-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43673201","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}
Pub Date : 2022-03-15DOI: 10.1142/s2047684122500038
V. Salomoni, N. De Marchi
The non-Darcian flow and solute transport in geometrically nonlinear porous media are modeled with Riesz derivative solved via Simpson’s rule or treated through the Grünwald–Letnikow definition and subsequently discretized via Finite Difference schemes when considering anomalous diffusion, nonlinear diffusion, or anomalous solute advection–dispersion, respectively. Particularly, the standard diffusion and advection–dispersion equations are converted into fractional equations to take into account memory effects as well as non-Fickian dispersion processes. Hence, a 3D hydro-mechanical model accounting for geometric nonlinearities is correspondingly developed including the fractional diffusion–advection–dispersion equations (FRADEs) and a series of one-dimensional analyses are performed with validation purposes.
{"title":"A fractional approach to fluid flow and solute transport within deformable saturated porous media","authors":"V. Salomoni, N. De Marchi","doi":"10.1142/s2047684122500038","DOIUrl":"https://doi.org/10.1142/s2047684122500038","url":null,"abstract":"The non-Darcian flow and solute transport in geometrically nonlinear porous media are modeled with Riesz derivative solved via Simpson’s rule or treated through the Grünwald–Letnikow definition and subsequently discretized via Finite Difference schemes when considering anomalous diffusion, nonlinear diffusion, or anomalous solute advection–dispersion, respectively. Particularly, the standard diffusion and advection–dispersion equations are converted into fractional equations to take into account memory effects as well as non-Fickian dispersion processes. Hence, a 3D hydro-mechanical model accounting for geometric nonlinearities is correspondingly developed including the fractional diffusion–advection–dispersion equations (FRADEs) and a series of one-dimensional analyses are performed with validation purposes.","PeriodicalId":45186,"journal":{"name":"International Journal of Computational Materials Science and Engineering","volume":null,"pages":null},"PeriodicalIF":1.3,"publicationDate":"2022-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42068159","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}
Pub Date : 2022-02-16DOI: 10.1142/s2047684122500014
Rahul Kumar, S. Khare
The purpose of this study is to determine the natural frequencies of functionally graded (FG) porous circular plates while taking into account the uniform and nonuniform porosity distribution in the thickness direction. The material properties of FG plates are assumed to be varying continuously in the thickness direction. The material properties are calculated based on Voigt’s micro-mechanical model taking power law distribution method with arbitrary power index. The mathematical model of the FG circular porous plate is based on the first-order shear deformation theory (FSDT). The motion of equations is derived using Hamilton’s energy principle and the Differential Quadrature Method (DQM) is applied to solve this equation. Convergence studies with respect to the number of nodes are used to validate the established solution methodology for nondimensional frequencies of FG circular plates. The nondimensional frequency for the FG circular plate is calculated and compared to the existing literature results. The effects of the thickness to radius ratio, material parameters, porosity distribution, and boundary conditions on the fundamental frequency for FG porous circular plates are also discussed in detail.
{"title":"Effect of uniform and nonuniform porosity on free vibration of functionally graded circular plate","authors":"Rahul Kumar, S. Khare","doi":"10.1142/s2047684122500014","DOIUrl":"https://doi.org/10.1142/s2047684122500014","url":null,"abstract":"The purpose of this study is to determine the natural frequencies of functionally graded (FG) porous circular plates while taking into account the uniform and nonuniform porosity distribution in the thickness direction. The material properties of FG plates are assumed to be varying continuously in the thickness direction. The material properties are calculated based on Voigt’s micro-mechanical model taking power law distribution method with arbitrary power index. The mathematical model of the FG circular porous plate is based on the first-order shear deformation theory (FSDT). The motion of equations is derived using Hamilton’s energy principle and the Differential Quadrature Method (DQM) is applied to solve this equation. Convergence studies with respect to the number of nodes are used to validate the established solution methodology for nondimensional frequencies of FG circular plates. The nondimensional frequency for the FG circular plate is calculated and compared to the existing literature results. The effects of the thickness to radius ratio, material parameters, porosity distribution, and boundary conditions on the fundamental frequency for FG porous circular plates are also discussed in detail.","PeriodicalId":45186,"journal":{"name":"International Journal of Computational Materials Science and Engineering","volume":null,"pages":null},"PeriodicalIF":1.3,"publicationDate":"2022-02-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43778164","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}
Pub Date : 2021-12-22DOI: 10.1142/s2047684121500317
Narendra Kumar Jha, Santosh Kumar, Srihari Dodla
Optimum waviness of carbon nanotubes (CNTs) inside a matrix composite beam and composite bridge is endeavor to obtain its utmost natural frequencies considering a volume fraction of CNTs. 3D FE model of the beam is generated via ABAQUS along with Python programming and thereafter to calculate an optimal waviness under encastre boundary conditions and different vibration modes. The effect of waviness and the number of waves on mode shapes, natural frequency, and corresponding stiffness of a beam are examined, and the outcomes are compared to those of a pure polymer beam, straight CNT-based composite beam and nanobridge value. It was decided to conduct a convergence analysis and the optimum value of the number of elements and nodes was studied and found that 19666 nodes are reliable to give correct results. The FE analysis results reveal that the waviness effect of CNTs significantly depends on mode shapes. The fundamental natural frequency, as well as other related vibrational properties, is observed to be enhanced. By decreasing the waviness from 50 to 25, there is an increment in natural frequency in the 3rd mode by 68.68, 5th mode by 44.6 and 6th mode by 62.4, but in other modes, there is negligible difference. When single-wave CNTs were compared, the sine wave produced more frequency in the third mode by 206.03, 4th mode by 199.8 and 6th mode by 478.6[Formula: see text]Hz. After comparing the results of different waviness types, single sine waviness, multi-waved CNTs, straight CNTs and neat matrix, it is found that for the highest value of waviness of CNT fiber-based nanocomposites, the natural frequency of CNT-reinforced nanocomposite reaches the frequency of the neat matrix and further adding of CNTs does not increase the value of frequency. The result showed that the finite element model (FEM) is a good simulation of the vibratory system.
{"title":"3D waviness effect of carbon nanotubes on fundamental natural frequency and modeling of resonance of nanocomposite structure","authors":"Narendra Kumar Jha, Santosh Kumar, Srihari Dodla","doi":"10.1142/s2047684121500317","DOIUrl":"https://doi.org/10.1142/s2047684121500317","url":null,"abstract":"Optimum waviness of carbon nanotubes (CNTs) inside a matrix composite beam and composite bridge is endeavor to obtain its utmost natural frequencies considering a volume fraction of CNTs. 3D FE model of the beam is generated via ABAQUS along with Python programming and thereafter to calculate an optimal waviness under encastre boundary conditions and different vibration modes. The effect of waviness and the number of waves on mode shapes, natural frequency, and corresponding stiffness of a beam are examined, and the outcomes are compared to those of a pure polymer beam, straight CNT-based composite beam and nanobridge value. It was decided to conduct a convergence analysis and the optimum value of the number of elements and nodes was studied and found that 19666 nodes are reliable to give correct results. The FE analysis results reveal that the waviness effect of CNTs significantly depends on mode shapes. The fundamental natural frequency, as well as other related vibrational properties, is observed to be enhanced. By decreasing the waviness from 50 to 25, there is an increment in natural frequency in the 3rd mode by 68.68, 5th mode by 44.6 and 6th mode by 62.4, but in other modes, there is negligible difference. When single-wave CNTs were compared, the sine wave produced more frequency in the third mode by 206.03, 4th mode by 199.8 and 6th mode by 478.6[Formula: see text]Hz. After comparing the results of different waviness types, single sine waviness, multi-waved CNTs, straight CNTs and neat matrix, it is found that for the highest value of waviness of CNT fiber-based nanocomposites, the natural frequency of CNT-reinforced nanocomposite reaches the frequency of the neat matrix and further adding of CNTs does not increase the value of frequency. The result showed that the finite element model (FEM) is a good simulation of the vibratory system.","PeriodicalId":45186,"journal":{"name":"International Journal of Computational Materials Science and Engineering","volume":null,"pages":null},"PeriodicalIF":1.3,"publicationDate":"2021-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49249115","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}
Pub Date : 2021-12-22DOI: 10.1142/s2047684121500342
Yassine Slatni, M. Djezzar, Tarek Messai, Mahfoud Brahim
Inside a greenhouse, during the day, the temperature rises very quickly, while the plants have to face temperatures that rise to more than 35[Formula: see text]C. The plant closes its pores to limit sweating and stops growing. As soon as it gets hot, it is therefore necessary to ventilate the greenhouse. In this context, this research aims to investigate the behavior of the natural ventilation on the internal climate of the tunnel greenhouse, which contains two openings in the roof. The effect of the position of the openings on heat transfer is considered, thus promoting photosynthesis and plant growth. The vorticity transport equation, the Poisson equation and the energy equation are discretized by using the finite volume method. Two-dimensional simulations that described laminar flows in a steady state were carried out. Flows are studied for a range of parameters: the Rayleigh number, Ra, [Formula: see text], and three positions of opening ventilation. The results reveal that the ventilation through the top opening position allows the best creation of heat exchanges between the air inside the greenhouse and its atmosphere, which serves to conserve the plant under a favorable climate that allows its growth.
{"title":"Numerical simulation of thermal behavior in a naturally ventilated greenhouse","authors":"Yassine Slatni, M. Djezzar, Tarek Messai, Mahfoud Brahim","doi":"10.1142/s2047684121500342","DOIUrl":"https://doi.org/10.1142/s2047684121500342","url":null,"abstract":"Inside a greenhouse, during the day, the temperature rises very quickly, while the plants have to face temperatures that rise to more than 35[Formula: see text]C. The plant closes its pores to limit sweating and stops growing. As soon as it gets hot, it is therefore necessary to ventilate the greenhouse. In this context, this research aims to investigate the behavior of the natural ventilation on the internal climate of the tunnel greenhouse, which contains two openings in the roof. The effect of the position of the openings on heat transfer is considered, thus promoting photosynthesis and plant growth. The vorticity transport equation, the Poisson equation and the energy equation are discretized by using the finite volume method. Two-dimensional simulations that described laminar flows in a steady state were carried out. Flows are studied for a range of parameters: the Rayleigh number, Ra, [Formula: see text], and three positions of opening ventilation. The results reveal that the ventilation through the top opening position allows the best creation of heat exchanges between the air inside the greenhouse and its atmosphere, which serves to conserve the plant under a favorable climate that allows its growth.","PeriodicalId":45186,"journal":{"name":"International Journal of Computational Materials Science and Engineering","volume":null,"pages":null},"PeriodicalIF":1.3,"publicationDate":"2021-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44541620","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}
Pub Date : 2021-11-22DOI: 10.1142/s2047684121500354
Nguyen Tien Cuong
{"title":"First-Principles Study on Controlling Transport Gap of Graphene Nanoribbons using Hybrid Armchair-Zigzag Nanostructures","authors":"Nguyen Tien Cuong","doi":"10.1142/s2047684121500354","DOIUrl":"https://doi.org/10.1142/s2047684121500354","url":null,"abstract":"","PeriodicalId":45186,"journal":{"name":"International Journal of Computational Materials Science and Engineering","volume":null,"pages":null},"PeriodicalIF":1.3,"publicationDate":"2021-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42302316","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}
Pub Date : 2021-11-11DOI: 10.1142/s2047684121500263
Sanjeeva Kumar Singh, S. K. Panda
In this paper, a micromechanics method is developed to evaluate effective coefficients of piezoelectric fiber-reinforced composites. An exact solution is derived for effective elastic, piezoelectric and dielectric coefficients of such piezocomposites subjected to the applied load in the direction transverse to the fiber orientation. Simultaneously, based on finite element method, a numerical study is performed on a representative volume element of such piezo composite containing fiber in square packing arrangement. The finite element method provides a numerical solution to evaluate effective elastic, piezoelectric and dielectric coefficients for discrete volume fraction of fiber, the range being 0.1–0.6 for this study. The results are interpolated to understand the overall behavior of such piezocomposites. The results obtained from the micromechanics method and the finite element method are compared with the results obtained from other models based on strength of materials method given in the literature. It is observed that the method developed in this study provides better results for effective coefficients susceptible to fiber packing arrangements.
{"title":"An analytical approach to evaluate effective coefficients of 1–3 piezoelectric composites","authors":"Sanjeeva Kumar Singh, S. K. Panda","doi":"10.1142/s2047684121500263","DOIUrl":"https://doi.org/10.1142/s2047684121500263","url":null,"abstract":"In this paper, a micromechanics method is developed to evaluate effective coefficients of piezoelectric fiber-reinforced composites. An exact solution is derived for effective elastic, piezoelectric and dielectric coefficients of such piezocomposites subjected to the applied load in the direction transverse to the fiber orientation. Simultaneously, based on finite element method, a numerical study is performed on a representative volume element of such piezo composite containing fiber in square packing arrangement. The finite element method provides a numerical solution to evaluate effective elastic, piezoelectric and dielectric coefficients for discrete volume fraction of fiber, the range being 0.1–0.6 for this study. The results are interpolated to understand the overall behavior of such piezocomposites. The results obtained from the micromechanics method and the finite element method are compared with the results obtained from other models based on strength of materials method given in the literature. It is observed that the method developed in this study provides better results for effective coefficients susceptible to fiber packing arrangements.","PeriodicalId":45186,"journal":{"name":"International Journal of Computational Materials Science and Engineering","volume":null,"pages":null},"PeriodicalIF":1.3,"publicationDate":"2021-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41451472","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}
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