Pub Date : 2016-12-31DOI: 10.12921/CMST.2016.0000063
D. T. Thuy, N. T. Vinh, B. D. Thuan, C. L. Van
In this paper we consider the influence of higher-order nonlinear effects like third-order dispersion, self-steepening effect on the propagation characteristics of solitons. By solving the higher-order nonlinear Schrödinger equation we show that the self-steepening effect can lead to the breakup of higher-order solitons through the phenomenon of soliton fission. This effect plays an essential role in several nonlinear phenomena, in particular in the so-called supercontinuum generation in optical fibers. Moreover, we can use third order dispersion to compress pulses as well as changing the frequency.
{"title":"Influence of Self-steepening and Higher Dispersion Effects on the Propagation Characteristics of Solitons in Optical Fibers","authors":"D. T. Thuy, N. T. Vinh, B. D. Thuan, C. L. Van","doi":"10.12921/CMST.2016.0000063","DOIUrl":"https://doi.org/10.12921/CMST.2016.0000063","url":null,"abstract":"In this paper we consider the influence of higher-order nonlinear effects like third-order dispersion, self-steepening effect on the propagation characteristics of solitons. By solving the higher-order nonlinear Schrödinger equation we show that the self-steepening effect can lead to the breakup of higher-order solitons through the phenomenon of soliton fission. This effect plays an essential role in several nonlinear phenomena, in particular in the so-called supercontinuum generation in optical fibers. Moreover, we can use third order dispersion to compress pulses as well as changing the frequency.","PeriodicalId":10561,"journal":{"name":"computational methods in science and technology","volume":"1 1","pages":"239-243"},"PeriodicalIF":0.0,"publicationDate":"2016-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73875662","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 : 2016-12-31DOI: 10.12921/CMST.2016.0000050
B. Maruszewski, A. Drzewiecki, R. Starosta
The paper deals with an influence of the excitation frequency and the dimensions of a free supported thermoelastic plate on the effective Poisson’s ratio and the effective Young’s modulus. Both of these parameters are not, in such a situation, the elastic material constants. The considered thermoelastic problem has been modelled within the extended thermodynamical model. Therefore, the above effective elastic coefficients are also dependent on the thermal relaxation time. The numerical analysis of those coefficients vs. excitation frequency both for normal and auxetic plates have been presented.
{"title":"On effective Young’s modulus and Poisson’s ratio of the auxetic thermoelastic material","authors":"B. Maruszewski, A. Drzewiecki, R. Starosta","doi":"10.12921/CMST.2016.0000050","DOIUrl":"https://doi.org/10.12921/CMST.2016.0000050","url":null,"abstract":"The paper deals with an influence of the excitation frequency and the dimensions of a free supported thermoelastic plate on the effective Poisson’s ratio and the effective Young’s modulus. Both of these parameters are not, in such a situation, the elastic material constants. The considered thermoelastic problem has been modelled within the extended thermodynamical model. Therefore, the above effective elastic coefficients are also dependent on the thermal relaxation time. The numerical analysis of those coefficients vs. excitation frequency both for normal and auxetic plates have been presented.","PeriodicalId":10561,"journal":{"name":"computational methods in science and technology","volume":"99 1","pages":"233-237"},"PeriodicalIF":0.0,"publicationDate":"2016-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72900376","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 : 2016-12-31DOI: 10.12921/CMST.2016.0000054
Krzysztof Hyżorek, K. V. Tretiakov
Thermal conductivity (λ) of the Lennard-Jones liquid in cylindrical nanochannels has been determined using the Green-Kubo (GK) approach in equilibrium Molecular Dynamics simulations. Good convergence of λ(τ) has been observed along the nanochannel’s axis where the periodic boundary conditions are applied. However, it has been found that the estimation of limiting value of λ(τ) in the transverse direction, where walls confine the liquid, is ambiguous.
{"title":"Limitations of Applicability of the Green-Kubo Approach for Calculating the Thermal Conductivity of a Confined Liquid in Computer Simulations","authors":"Krzysztof Hyżorek, K. V. Tretiakov","doi":"10.12921/CMST.2016.0000054","DOIUrl":"https://doi.org/10.12921/CMST.2016.0000054","url":null,"abstract":"Thermal conductivity (λ) of the Lennard-Jones liquid in cylindrical nanochannels has been determined using the Green-Kubo (GK) approach in equilibrium Molecular Dynamics simulations. Good convergence of λ(τ) has been observed along the nanochannel’s axis where the periodic boundary conditions are applied. However, it has been found that the estimation of limiting value of λ(τ) in the transverse direction, where walls confine the liquid, is ambiguous.","PeriodicalId":10561,"journal":{"name":"computational methods in science and technology","volume":"1 1","pages":"197-200"},"PeriodicalIF":0.0,"publicationDate":"2016-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74206328","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 : 2016-12-31DOI: 10.12921/CMST.2016.0000014
P. Idziaszek, W. Mueller, J. Rudowicz-Nawrocka, M. Gruszczynski, S. Kujawa, K. Górna, K. Balcerzak
Most IT systems rely on dedicated databases, and most of these databases are relational. The advantages of such databases are well known and widely reported in literature. Unfortunately, attempts to identify the topology of links in the relational model produced by iterative development or administrative enhancements are often hampered by the large number of tables that make up the database and the lack of comprehensive technical documentation. Analysis of the model by someone other than its designer requires substantial effort. The aim of the presented work is therefore to develop an application for effective presentation of the database structure in the form of a directed graph. The main assumption was that a graph-oriented database environment would be used. This paper presents the RELATIONS-Graph application developed by the authors. This application automatically generates a directed graph which presents links between tables and attributes which constitute a relational database. The RELATIONS-Graph application can also scan the generated graph in order to discover links between selected tables and columns. This solution has been applied to SQL Server 2014 SP1 DBMS using the Microsoft .NET technology and the Neo4j graph database, also by .NET API. The RELATIONS-Graph application was developed in C#, an object-oriented programming language.
{"title":"Visualisation of Relational Database Structure by Graph Database","authors":"P. Idziaszek, W. Mueller, J. Rudowicz-Nawrocka, M. Gruszczynski, S. Kujawa, K. Górna, K. Balcerzak","doi":"10.12921/CMST.2016.0000014","DOIUrl":"https://doi.org/10.12921/CMST.2016.0000014","url":null,"abstract":"Most IT systems rely on dedicated databases, and most of these databases are relational. The advantages of such databases are well known and widely reported in literature. Unfortunately, attempts to identify the topology of links in the relational model produced by iterative development or administrative enhancements are often hampered by the large number of tables that make up the database and the lack of comprehensive technical documentation. Analysis of the model by someone other than its designer requires substantial effort. The aim of the presented work is therefore to develop an application for effective presentation of the database structure in the form of a directed graph. The main assumption was that a graph-oriented database environment would be used. This paper presents the RELATIONS-Graph application developed by the authors. This application automatically generates a directed graph which presents links between tables and attributes which constitute a relational database. The RELATIONS-Graph application can also scan the generated graph in order to discover links between selected tables and columns. This solution has been applied to SQL Server 2014 SP1 DBMS using the Microsoft .NET technology and the Neo4j graph database, also by .NET API. The RELATIONS-Graph application was developed in C#, an object-oriented programming language.","PeriodicalId":10561,"journal":{"name":"computational methods in science and technology","volume":"88 1","pages":"217-224"},"PeriodicalIF":0.0,"publicationDate":"2016-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75837013","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 : 2016-04-14DOI: 10.12921/cmst.2016.22.01.002
A. Karczewska, Maciej Szczeciński, P. Rozmej, Bartosz Boguniewicz
The finite element method is applied to obtain numerical solutions to the recently derived nonlinear equation for shallow water wave problem for several cases of bottom shapes. Results for time evolution of KdV solitons and cnoidal waves under stochastic forces are presented. Though small effects originating from second order dynamics may be obscured by stochastic forces, the main waves, both cnoidal and solitary ones, remain very robust against any distortions.
{"title":"Finite Element Method for Stochastic Extended KdV Equations","authors":"A. Karczewska, Maciej Szczeciński, P. Rozmej, Bartosz Boguniewicz","doi":"10.12921/cmst.2016.22.01.002","DOIUrl":"https://doi.org/10.12921/cmst.2016.22.01.002","url":null,"abstract":"The finite element method is applied to obtain numerical solutions to the recently derived nonlinear equation for shallow water wave problem for several cases of bottom shapes. Results for time evolution of KdV solitons and cnoidal waves under stochastic forces are presented. Though small effects originating from second order dynamics may be obscured by stochastic forces, the main waves, both cnoidal and solitary ones, remain very robust against any distortions.","PeriodicalId":10561,"journal":{"name":"computational methods in science and technology","volume":"4 1","pages":"19-29"},"PeriodicalIF":0.0,"publicationDate":"2016-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89955353","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":"Statistical Fluctuations along the Lennard-Jones Melting Curve","authors":"R. Patra, D. Heyes","doi":"10.12921/CMST.2016.22.01.001","DOIUrl":"https://doi.org/10.12921/CMST.2016.22.01.001","url":null,"abstract":"Article published in Computational Methods in Science and Technology available at http://dx.doi.org/10.12921%2Fcmst.2016.22.01.001","PeriodicalId":10561,"journal":{"name":"computational methods in science and technology","volume":"2018 1","pages":"5-17"},"PeriodicalIF":0.0,"publicationDate":"2016-01-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87857485","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 : 2016-01-01DOI: 10.12921/CMST.2016.22.01.004
S. Saaidpour
Quantitative structure-retention relationship (QSRR) analysis is a useful technique capable of relating chromato- graphic retention time to the chemical structure of a solute. Using the sub-structural molecular fragments (SMF) derived directly from the molecular structures, the gas chromatographic relative retention times (RRTs) of 209 polychlorinated biphenyls (PCBs) on the SE-54 stationary phase were calculated. An eight-variable regression equation with the correlation coefficient of 0.9945 and the root mean square errors of 0.0134 was developed. Forward and backward stepwise regression variable selection and multi-linear regression analysis (MLRA) are combined to describe the effect of molecular structure on the RRT of PCB according to the QSRR method. To quantitatively relate RRT with the molecular structure MLR analysis is performed on the set of 163 sub-structural molecular fragments (SMF) provided by the ISIDA software. The eight fragments selected by variable subset selection, all belonging to the sub-fragments, adequately represent the structural factors influencing the affinity of PCB to SE-54 stationary phase in the separation process. Finally, a QSRR model is selected based on leave-one-out cross-validation and its prediction ability is further tested on 42 representative compounds excluded from model calibration. The prediction results from the MLR model are in good agreement with the experimental values. By applying the MLR method we can predict the test set with squared cross validated correlation coefficient (Q 2) of 0.9913 and root mean square error (RMSE) of 0.0169.
{"title":"Computational Model For Chromatographic Relative Retention Time of Polychlorinated Biphenyls Using Sub-structural Molecular Fragments","authors":"S. Saaidpour","doi":"10.12921/CMST.2016.22.01.004","DOIUrl":"https://doi.org/10.12921/CMST.2016.22.01.004","url":null,"abstract":"Quantitative structure-retention relationship (QSRR) analysis is a useful technique capable of relating chromato- graphic retention time to the chemical structure of a solute. Using the sub-structural molecular fragments (SMF) derived directly from the molecular structures, the gas chromatographic relative retention times (RRTs) of 209 polychlorinated biphenyls (PCBs) on the SE-54 stationary phase were calculated. An eight-variable regression equation with the correlation coefficient of 0.9945 and the root mean square errors of 0.0134 was developed. Forward and backward stepwise regression variable selection and multi-linear regression analysis (MLRA) are combined to describe the effect of molecular structure on the RRT of PCB according to the QSRR method. To quantitatively relate RRT with the molecular structure MLR analysis is performed on the set of 163 sub-structural molecular fragments (SMF) provided by the ISIDA software. The eight fragments selected by variable subset selection, all belonging to the sub-fragments, adequately represent the structural factors influencing the affinity of PCB to SE-54 stationary phase in the separation process. Finally, a QSRR model is selected based on leave-one-out cross-validation and its prediction ability is further tested on 42 representative compounds excluded from model calibration. The prediction results from the MLR model are in good agreement with the experimental values. By applying the MLR method we can predict the test set with squared cross validated correlation coefficient (Q 2) of 0.9913 and root mean square error (RMSE) of 0.0169.","PeriodicalId":10561,"journal":{"name":"computational methods in science and technology","volume":"45 1","pages":"41-53"},"PeriodicalIF":0.0,"publicationDate":"2016-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73045749","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 : 2016-01-01DOI: 10.12921/CMST.2016.22.02.004
Rajneesh Kumar
The present investigation deals with the problem of thermoelastic beam in the modified couple stress theory due to thermal source. The governing equations of motion for the modified couple stress theory and heat conduction equation for coupled thermoelasticity are investigated to model the vibrations in a homogeneous isotropic thin beam in a closed form by applying the Euler Bernoulli beam theory. The Laplace transform technique is used to solve the problem. The lateral deflection, thermal moment, axial stress average due to normal heat flux in the beam are derived and computed numerically. The resulting quantities are depicted graphically for a specific model. A particular case is also introduced.
{"title":"Response of Thermoelastic Beam due to Thermal Source in Modified Couple Stress Theory","authors":"Rajneesh Kumar","doi":"10.12921/CMST.2016.22.02.004","DOIUrl":"https://doi.org/10.12921/CMST.2016.22.02.004","url":null,"abstract":"The present investigation deals with the problem of thermoelastic beam in the modified couple stress theory due to thermal source. The governing equations of motion for the modified couple stress theory and heat conduction equation for coupled thermoelasticity are investigated to model the vibrations in a homogeneous isotropic thin beam in a closed form by applying the Euler Bernoulli beam theory. The Laplace transform technique is used to solve the problem. The lateral deflection, thermal moment, axial stress average due to normal heat flux in the beam are derived and computed numerically. The resulting quantities are depicted graphically for a specific model. A particular case is also introduced.","PeriodicalId":10561,"journal":{"name":"computational methods in science and technology","volume":"2 1","pages":"95-101"},"PeriodicalIF":0.0,"publicationDate":"2016-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89972039","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 : 2016-01-01DOI: 10.12921/CMST.2016.0000005
J. Kumar, N. Sharma, P. Lata
The present investigation concerns thermomechanical interactions in a homogeneous isotropic thick plate in the light of the two-temperature thermoelasticity theory with dual phase lag due to a ring load. The upper and lower ends of the thick plate are traction free and subjected to an axisymmetric heat supply. The solution is obtained by using Laplace and Hankel transform techniques. The analytical expressions of displacement components, stresses, conductive temperature, temperature change and cubic dilatation are computed in a transformed domain. The numerical inversion technique has been applied to obtain the results in the physical domain. Numerically simulated results are depicted graphically. The effect of thermal phase-lags and two temperatures are shown on the various components. Some particular cases of the result are also deduced from the present investigation.
{"title":"Effect of Two Temperatures and Thermal Phase-lags in a Thick Plate due to a Ring Load with Axisymmetric Heat Supply","authors":"J. Kumar, N. Sharma, P. Lata","doi":"10.12921/CMST.2016.0000005","DOIUrl":"https://doi.org/10.12921/CMST.2016.0000005","url":null,"abstract":"The present investigation concerns thermomechanical interactions in a homogeneous isotropic thick plate in the light of the two-temperature thermoelasticity theory with dual phase lag due to a ring load. The upper and lower ends of the thick plate are traction free and subjected to an axisymmetric heat supply. The solution is obtained by using Laplace and Hankel transform techniques. The analytical expressions of displacement components, stresses, conductive temperature, temperature change and cubic dilatation are computed in a transformed domain. The numerical inversion technique has been applied to obtain the results in the physical domain. Numerically simulated results are depicted graphically. The effect of thermal phase-lags and two temperatures are shown on the various components. Some particular cases of the result are also deduced from the present investigation.","PeriodicalId":10561,"journal":{"name":"computational methods in science and technology","volume":"37 1","pages":"153-162"},"PeriodicalIF":0.0,"publicationDate":"2016-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75054627","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 : 2016-01-01DOI: 10.12921/CMST.2016.22.02.I01
W. Hoover, C. G. Hoover, M. Stroiński, J. Weglarz, K. Wojciechowski
{"title":"Ian Snook Prizes 2015","authors":"W. Hoover, C. G. Hoover, M. Stroiński, J. Weglarz, K. Wojciechowski","doi":"10.12921/CMST.2016.22.02.I01","DOIUrl":"https://doi.org/10.12921/CMST.2016.22.02.I01","url":null,"abstract":"","PeriodicalId":10561,"journal":{"name":"computational methods in science and technology","volume":"6 1","pages":"59-59"},"PeriodicalIF":0.0,"publicationDate":"2016-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91194639","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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