Although canonical molecular orbital (CMO) calculations for proteins are very useful for protein engineering, they are computationally expensive and difficult to achieve because proteins are large molecules. We had developed the third-generation density functional (3G DF) method, which performed electronic state calculation with high efficiency in parallel computer by performing only matrix operation during the SCF calculation. In this study, by applying the powerful computing platform of graphic processing unit (GPU) to our 3G DF calculation method, we constructed a computing environment that achieved the large-scale CMO computation with high efficiency.Although canonical molecular orbital (CMO) calculations for proteins are very useful for protein engineering, they are computationally expensive and difficult to achieve because proteins are large molecules. We had developed the third-generation density functional (3G DF) method, which performed electronic state calculation with high efficiency in parallel computer by performing only matrix operation during the SCF calculation. In this study, by applying the powerful computing platform of graphic processing unit (GPU) to our 3G DF calculation method, we constructed a computing environment that achieved the large-scale CMO computation with high efficiency.
{"title":"Recent progress of protein canonical molecular orbital calculation by the third generation density functional method","authors":"T. Hirano, F. Sato","doi":"10.1063/1.5137920","DOIUrl":"https://doi.org/10.1063/1.5137920","url":null,"abstract":"Although canonical molecular orbital (CMO) calculations for proteins are very useful for protein engineering, they are computationally expensive and difficult to achieve because proteins are large molecules. We had developed the third-generation density functional (3G DF) method, which performed electronic state calculation with high efficiency in parallel computer by performing only matrix operation during the SCF calculation. In this study, by applying the powerful computing platform of graphic processing unit (GPU) to our 3G DF calculation method, we constructed a computing environment that achieved the large-scale CMO computation with high efficiency.Although canonical molecular orbital (CMO) calculations for proteins are very useful for protein engineering, they are computationally expensive and difficult to achieve because proteins are large molecules. We had developed the third-generation density functional (3G DF) method, which performed electronic state calculation with high efficiency in parallel computer by performing only matrix operation during the SCF calculation. In this study, by applying the powerful computing platform of graphic processing unit (GPU) to our 3G DF calculation method, we constructed a computing environment that achieved the large-scale CMO computation with high efficiency.","PeriodicalId":20565,"journal":{"name":"PROCEEDINGS OF THE INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2019 (ICCMSE-2019)","volume":"55 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79835377","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}
Sanja Šurdonja, I. Kisić, A. Deluka-Tibljaš, B. Karleuša
Reconstruction of the intersection on the traffic network is necessary to maintain the required level of traffic safety for all road users, intersection capacity, and the functioning of the intersection in the changed conditions which occur due to, for example, increasing or redistributing traffic or connecting new roads on the network. Before reconstruction, it is necessary to analyze the existing situation, identify deficiencies or potential problems and propose several alternative solutions. Different alternative solutions are usually compared by using predefined criteria and sub-criteria. In some cases, due to a greater number of criteria and sub-criteria, the process of selecting the optimal solution (alternative) can be very complex. In the selection process of the optimal alternative, the application of the multi-criteria analysis method has a significant role. This paper presents the application of AHP (Analytic Hierarchy Process) method in the case of reconstruction of sub-urban intersection, the connection to the motorway. The AHP method is one of the most commonly used multi-criteria method in choosing solutions in the planning, design, maintenance and reconstruction of transport infrastructure. The AHP method, in this case, was used as a tool for selecting the optimal between 3 alternative solutions based on 5 criteria and 12 sub-criteria. In addition, to choosing the optimal solution, the AHP method plays a significant role in sensitivity analysis which shows how the change in criteria importance affects the outcome, that is, the ranking of individual alternative.Reconstruction of the intersection on the traffic network is necessary to maintain the required level of traffic safety for all road users, intersection capacity, and the functioning of the intersection in the changed conditions which occur due to, for example, increasing or redistributing traffic or connecting new roads on the network. Before reconstruction, it is necessary to analyze the existing situation, identify deficiencies or potential problems and propose several alternative solutions. Different alternative solutions are usually compared by using predefined criteria and sub-criteria. In some cases, due to a greater number of criteria and sub-criteria, the process of selecting the optimal solution (alternative) can be very complex. In the selection process of the optimal alternative, the application of the multi-criteria analysis method has a significant role. This paper presents the application of AHP (Analytic Hierarchy Process) method in the case of reconstruction of sub-urban intersection, the...
{"title":"Use of AHP method in the traffic planning - Example of selecting an optimal intersection type","authors":"Sanja Šurdonja, I. Kisić, A. Deluka-Tibljaš, B. Karleuša","doi":"10.1063/1.5138070","DOIUrl":"https://doi.org/10.1063/1.5138070","url":null,"abstract":"Reconstruction of the intersection on the traffic network is necessary to maintain the required level of traffic safety for all road users, intersection capacity, and the functioning of the intersection in the changed conditions which occur due to, for example, increasing or redistributing traffic or connecting new roads on the network. Before reconstruction, it is necessary to analyze the existing situation, identify deficiencies or potential problems and propose several alternative solutions. Different alternative solutions are usually compared by using predefined criteria and sub-criteria. In some cases, due to a greater number of criteria and sub-criteria, the process of selecting the optimal solution (alternative) can be very complex. In the selection process of the optimal alternative, the application of the multi-criteria analysis method has a significant role. This paper presents the application of AHP (Analytic Hierarchy Process) method in the case of reconstruction of sub-urban intersection, the connection to the motorway. The AHP method is one of the most commonly used multi-criteria method in choosing solutions in the planning, design, maintenance and reconstruction of transport infrastructure. The AHP method, in this case, was used as a tool for selecting the optimal between 3 alternative solutions based on 5 criteria and 12 sub-criteria. In addition, to choosing the optimal solution, the AHP method plays a significant role in sensitivity analysis which shows how the change in criteria importance affects the outcome, that is, the ranking of individual alternative.Reconstruction of the intersection on the traffic network is necessary to maintain the required level of traffic safety for all road users, intersection capacity, and the functioning of the intersection in the changed conditions which occur due to, for example, increasing or redistributing traffic or connecting new roads on the network. Before reconstruction, it is necessary to analyze the existing situation, identify deficiencies or potential problems and propose several alternative solutions. Different alternative solutions are usually compared by using predefined criteria and sub-criteria. In some cases, due to a greater number of criteria and sub-criteria, the process of selecting the optimal solution (alternative) can be very complex. In the selection process of the optimal alternative, the application of the multi-criteria analysis method has a significant role. This paper presents the application of AHP (Analytic Hierarchy Process) method in the case of reconstruction of sub-urban intersection, the...","PeriodicalId":20565,"journal":{"name":"PROCEEDINGS OF THE INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2019 (ICCMSE-2019)","volume":"5 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84057110","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}
We investigate the propagation of surface plasmon polaritons (SPPs) at the boundary of metamaterial and topolological insulators. Instance of Bi2Se3 and metamaterial boundaries is investigated. The topological insulators under consideration are three dimensional topological insulators of the second generation. Dispersion relations, absorption characteristics and propagation lengths of SPPs are calculated. The key parameters making a dramatic impact on propagation lengths are acknowledged and mechanisms for engineering dispersion properties are suggested.
{"title":"Investigation of the interface of metamaterial and topological insulator","authors":"T. Gric","doi":"10.1063/1.5138110","DOIUrl":"https://doi.org/10.1063/1.5138110","url":null,"abstract":"We investigate the propagation of surface plasmon polaritons (SPPs) at the boundary of metamaterial and topolological insulators. Instance of Bi2Se3 and metamaterial boundaries is investigated. The topological insulators under consideration are three dimensional topological insulators of the second generation. Dispersion relations, absorption characteristics and propagation lengths of SPPs are calculated. The key parameters making a dramatic impact on propagation lengths are acknowledged and mechanisms for engineering dispersion properties are suggested.","PeriodicalId":20565,"journal":{"name":"PROCEEDINGS OF THE INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2019 (ICCMSE-2019)","volume":"16 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88294341","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}
A. Shalin, A. Ivinskaya, N. Kostina, M. Petrov, A. Bogdanov, S. Sukhov, P. Ginzburg
The optical force acting on a nanoparticle near a planar substrate is governed by incident light and excitation of surface and volume modes of the substrate. The realization of negative optical forces (“tractor beams”) via propagating plasmon-polaritones and volume modes will be shown and considered in detail on the basis of the described analytical and numerical models for certain types of anisotropic substrates. In addition, optical tweezers performance is investigated when the Gaussian beam is focused on the metal substrate with nanoparticle. When the beam is focused above the substrate optical force increases about an order of magnitude due to evanescent field of surface plasmon. Novel effect of repulsion from Gaussian beam (“anti-trapping”) is obtained when the beam waist is moved below the substrate which is confirmed by both the analytical approach and finite element simulation.The optical force acting on a nanoparticle near a planar substrate is governed by incident light and excitation of surface and volume modes of the substrate. The realization of negative optical forces (“tractor beams”) via propagating plasmon-polaritones and volume modes will be shown and considered in detail on the basis of the described analytical and numerical models for certain types of anisotropic substrates. In addition, optical tweezers performance is investigated when the Gaussian beam is focused on the metal substrate with nanoparticle. When the beam is focused above the substrate optical force increases about an order of magnitude due to evanescent field of surface plasmon. Novel effect of repulsion from Gaussian beam (“anti-trapping”) is obtained when the beam waist is moved below the substrate which is confirmed by both the analytical approach and finite element simulation.
{"title":"Numerical and analytical models for calculating optical forces near auxiliary plasmonic substrates","authors":"A. Shalin, A. Ivinskaya, N. Kostina, M. Petrov, A. Bogdanov, S. Sukhov, P. Ginzburg","doi":"10.1063/1.5137933","DOIUrl":"https://doi.org/10.1063/1.5137933","url":null,"abstract":"The optical force acting on a nanoparticle near a planar substrate is governed by incident light and excitation of surface and volume modes of the substrate. The realization of negative optical forces (“tractor beams”) via propagating plasmon-polaritones and volume modes will be shown and considered in detail on the basis of the described analytical and numerical models for certain types of anisotropic substrates. In addition, optical tweezers performance is investigated when the Gaussian beam is focused on the metal substrate with nanoparticle. When the beam is focused above the substrate optical force increases about an order of magnitude due to evanescent field of surface plasmon. Novel effect of repulsion from Gaussian beam (“anti-trapping”) is obtained when the beam waist is moved below the substrate which is confirmed by both the analytical approach and finite element simulation.The optical force acting on a nanoparticle near a planar substrate is governed by incident light and excitation of surface and volume modes of the substrate. The realization of negative optical forces (“tractor beams”) via propagating plasmon-polaritones and volume modes will be shown and considered in detail on the basis of the described analytical and numerical models for certain types of anisotropic substrates. In addition, optical tweezers performance is investigated when the Gaussian beam is focused on the metal substrate with nanoparticle. When the beam is focused above the substrate optical force increases about an order of magnitude due to evanescent field of surface plasmon. Novel effect of repulsion from Gaussian beam (“anti-trapping”) is obtained when the beam waist is moved below the substrate which is confirmed by both the analytical approach and finite element simulation.","PeriodicalId":20565,"journal":{"name":"PROCEEDINGS OF THE INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2019 (ICCMSE-2019)","volume":"32 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82500457","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}
Marijana Cuculic, Aleksandra Deluka Tibljaš, F. Vasic, Ivana Pranjić
Porous asphalt is type of open graded bituminous mixture for wearing courses. The reasons for its recent frequent usage as well as increase of research interest are the environmental benefits for example storm water management. However, there are some kinds of defects which can provoke deterioration of this type of pavement surface before expected project life.The dominant defect type of porous asphalt pavements is raveling. Raveling is process of dislodgement of aggregate particles caused by loss of bond between aggregate particles and asphalt binder. In order to assess the raveling resistance in porous asphalt pavements, the Cantabro abrasion test was performed on the series of specimens.Subject of this paper is divided in two phases: the first phase is to determine dependence of particle size distribution, bitumen content and percent of air voids on raveling resistance and the second phase deals with optimization of mix design from first phase in order to propose measures for asphalt properties improvement.The analysis shows that usage of polymer modified bitumen has the greatest influence on raveling resistance of porous asphalt.Porous asphalt is type of open graded bituminous mixture for wearing courses. The reasons for its recent frequent usage as well as increase of research interest are the environmental benefits for example storm water management. However, there are some kinds of defects which can provoke deterioration of this type of pavement surface before expected project life.The dominant defect type of porous asphalt pavements is raveling. Raveling is process of dislodgement of aggregate particles caused by loss of bond between aggregate particles and asphalt binder. In order to assess the raveling resistance in porous asphalt pavements, the Cantabro abrasion test was performed on the series of specimens.Subject of this paper is divided in two phases: the first phase is to determine dependence of particle size distribution, bitumen content and percent of air voids on raveling resistance and the second phase deals with optimization of mix design from first phase in order to propose measures for asphalt properties improve...
{"title":"The influence of porous asphalt mix design on raveling resistance","authors":"Marijana Cuculic, Aleksandra Deluka Tibljaš, F. Vasic, Ivana Pranjić","doi":"10.1063/1.5138071","DOIUrl":"https://doi.org/10.1063/1.5138071","url":null,"abstract":"Porous asphalt is type of open graded bituminous mixture for wearing courses. The reasons for its recent frequent usage as well as increase of research interest are the environmental benefits for example storm water management. However, there are some kinds of defects which can provoke deterioration of this type of pavement surface before expected project life.The dominant defect type of porous asphalt pavements is raveling. Raveling is process of dislodgement of aggregate particles caused by loss of bond between aggregate particles and asphalt binder. In order to assess the raveling resistance in porous asphalt pavements, the Cantabro abrasion test was performed on the series of specimens.Subject of this paper is divided in two phases: the first phase is to determine dependence of particle size distribution, bitumen content and percent of air voids on raveling resistance and the second phase deals with optimization of mix design from first phase in order to propose measures for asphalt properties improvement.The analysis shows that usage of polymer modified bitumen has the greatest influence on raveling resistance of porous asphalt.Porous asphalt is type of open graded bituminous mixture for wearing courses. The reasons for its recent frequent usage as well as increase of research interest are the environmental benefits for example storm water management. However, there are some kinds of defects which can provoke deterioration of this type of pavement surface before expected project life.The dominant defect type of porous asphalt pavements is raveling. Raveling is process of dislodgement of aggregate particles caused by loss of bond between aggregate particles and asphalt binder. In order to assess the raveling resistance in porous asphalt pavements, the Cantabro abrasion test was performed on the series of specimens.Subject of this paper is divided in two phases: the first phase is to determine dependence of particle size distribution, bitumen content and percent of air voids on raveling resistance and the second phase deals with optimization of mix design from first phase in order to propose measures for asphalt properties improve...","PeriodicalId":20565,"journal":{"name":"PROCEEDINGS OF THE INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2019 (ICCMSE-2019)","volume":"10 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74897263","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}
While many historical masonry structures consist of brick masonry where the units display a periodic arrangement (such as stretcher or running bond), there are several examples that instead consist of stone masonry. Here, the blocks present different shapes and dimensions, and are assembled with random arrangements – hence the name “non-periodic masonry”. This work presents a Matlab script for the extraction of in-plane homogenized failure surfaces for this type of masonry, and they represent a macroscopic strength criterion for the considered masonry panel. The failure surfaces are obtained through the solution of an upper bound limit analysis problem, formulated as a standard linear programming problem. The 3D finite element mesh used for representing the considered panel is created according to a voxel approach: starting from the rasterized image of the masonry panel, each 2D pixel is extruded to become a 3D voxel, which is subsequently transformed into a finite element. For numerical validation, the in-plane homogenized failure surface is extracted for a sample masonry panel, along with the failure modes for several load conditions, and they are critically commented.While many historical masonry structures consist of brick masonry where the units display a periodic arrangement (such as stretcher or running bond), there are several examples that instead consist of stone masonry. Here, the blocks present different shapes and dimensions, and are assembled with random arrangements – hence the name “non-periodic masonry”. This work presents a Matlab script for the extraction of in-plane homogenized failure surfaces for this type of masonry, and they represent a macroscopic strength criterion for the considered masonry panel. The failure surfaces are obtained through the solution of an upper bound limit analysis problem, formulated as a standard linear programming problem. The 3D finite element mesh used for representing the considered panel is created according to a voxel approach: starting from the rasterized image of the masonry panel, each 2D pixel is extruded to become a 3D voxel, which is subsequently transformed into a finite element. For numerical validation, the i...
{"title":"Voxel approach for 3D in-plane homogenized failure surfaces of non-periodic masonry","authors":"S. Tiberti, G. Milani","doi":"10.1063/1.5138014","DOIUrl":"https://doi.org/10.1063/1.5138014","url":null,"abstract":"While many historical masonry structures consist of brick masonry where the units display a periodic arrangement (such as stretcher or running bond), there are several examples that instead consist of stone masonry. Here, the blocks present different shapes and dimensions, and are assembled with random arrangements – hence the name “non-periodic masonry”. This work presents a Matlab script for the extraction of in-plane homogenized failure surfaces for this type of masonry, and they represent a macroscopic strength criterion for the considered masonry panel. The failure surfaces are obtained through the solution of an upper bound limit analysis problem, formulated as a standard linear programming problem. The 3D finite element mesh used for representing the considered panel is created according to a voxel approach: starting from the rasterized image of the masonry panel, each 2D pixel is extruded to become a 3D voxel, which is subsequently transformed into a finite element. For numerical validation, the in-plane homogenized failure surface is extracted for a sample masonry panel, along with the failure modes for several load conditions, and they are critically commented.While many historical masonry structures consist of brick masonry where the units display a periodic arrangement (such as stretcher or running bond), there are several examples that instead consist of stone masonry. Here, the blocks present different shapes and dimensions, and are assembled with random arrangements – hence the name “non-periodic masonry”. This work presents a Matlab script for the extraction of in-plane homogenized failure surfaces for this type of masonry, and they represent a macroscopic strength criterion for the considered masonry panel. The failure surfaces are obtained through the solution of an upper bound limit analysis problem, formulated as a standard linear programming problem. The 3D finite element mesh used for representing the considered panel is created according to a voxel approach: starting from the rasterized image of the masonry panel, each 2D pixel is extruded to become a 3D voxel, which is subsequently transformed into a finite element. For numerical validation, the i...","PeriodicalId":20565,"journal":{"name":"PROCEEDINGS OF THE INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2019 (ICCMSE-2019)","volume":"18 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75091220","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}
Exiplexes are a special kind of molecular complexes, which exist only due to a weak bond in an excited state. The theoretical description of these complexes requires the usage of multiconfigurational theory (CASSCF or RASSCF) followed by second order of perturbation theory. Formation of exiplex complex from pyridine and cyano-anthracene has been studied.
{"title":"Pyridine-cyanoanthracene bonded exciplex","authors":"Iria Bolaño, F. Naderi, V. Veryazov","doi":"10.1063/1.5137921","DOIUrl":"https://doi.org/10.1063/1.5137921","url":null,"abstract":"Exiplexes are a special kind of molecular complexes, which exist only due to a weak bond in an excited state. The theoretical description of these complexes requires the usage of multiconfigurational theory (CASSCF or RASSCF) followed by second order of perturbation theory. Formation of exiplex complex from pyridine and cyano-anthracene has been studied.","PeriodicalId":20565,"journal":{"name":"PROCEEDINGS OF THE INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2019 (ICCMSE-2019)","volume":"17 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75306625","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}
A high order unstructured spectral element method with a domain decomposition Stokes solver is presented for the hydrodynamic instability and bifurcation analysis. A Jacobian-Free Inexact-Newton-Krylov algorithm with a Stokes time-stepping preconditioning technique is introduced for the steady-state solution of incompressible flow. A matrix-free arc-length approach with Householder transformation is used for the numerical continuation near a turning point. An Arnoldi method is utilized to calculate the leading eigenvalues and their corresponding eigenvectors for the big system of linearized incompressible Navier-Stokes equations, which are responsible for initiating the hydrodynamic instability. The new method can do the steady and unsteady simulations in the similar way without time-splitting divergence error, it do not form the Jacobian matrix, which can reduce the memory allocation, decrease the computation cost, and speed up the convergence rate. The symmetric-breaking Hopf and Pitchfork bifurcations are considered in the flow passed a circular cylinder between two parallel plates. An antisymmetric sinusoidal velocity driven cavity problem is considered and the stable and unstable patterns are analyzed by checking the leading eigenvalues of their steady states. Besides the stable patterns of steady symmetric and steady asymmetric solutions£a new pair of unsteady asymmetric solutions are found depending on the different initial conditions.A high order unstructured spectral element method with a domain decomposition Stokes solver is presented for the hydrodynamic instability and bifurcation analysis. A Jacobian-Free Inexact-Newton-Krylov algorithm with a Stokes time-stepping preconditioning technique is introduced for the steady-state solution of incompressible flow. A matrix-free arc-length approach with Householder transformation is used for the numerical continuation near a turning point. An Arnoldi method is utilized to calculate the leading eigenvalues and their corresponding eigenvectors for the big system of linearized incompressible Navier-Stokes equations, which are responsible for initiating the hydrodynamic instability. The new method can do the steady and unsteady simulations in the similar way without time-splitting divergence error, it do not form the Jacobian matrix, which can reduce the memory allocation, decrease the computation cost, and speed up the convergence rate. The symmetric-breaking Hopf and Pitchfork bifurcations ...
{"title":"An unstructured spectral element method for hydrodynamic instability and bifurcation analysis","authors":"D. Ma, Dawei Chen, De-Jun Sun, Pei Wang","doi":"10.1063/1.5138084","DOIUrl":"https://doi.org/10.1063/1.5138084","url":null,"abstract":"A high order unstructured spectral element method with a domain decomposition Stokes solver is presented for the hydrodynamic instability and bifurcation analysis. A Jacobian-Free Inexact-Newton-Krylov algorithm with a Stokes time-stepping preconditioning technique is introduced for the steady-state solution of incompressible flow. A matrix-free arc-length approach with Householder transformation is used for the numerical continuation near a turning point. An Arnoldi method is utilized to calculate the leading eigenvalues and their corresponding eigenvectors for the big system of linearized incompressible Navier-Stokes equations, which are responsible for initiating the hydrodynamic instability. The new method can do the steady and unsteady simulations in the similar way without time-splitting divergence error, it do not form the Jacobian matrix, which can reduce the memory allocation, decrease the computation cost, and speed up the convergence rate. The symmetric-breaking Hopf and Pitchfork bifurcations are considered in the flow passed a circular cylinder between two parallel plates. An antisymmetric sinusoidal velocity driven cavity problem is considered and the stable and unstable patterns are analyzed by checking the leading eigenvalues of their steady states. Besides the stable patterns of steady symmetric and steady asymmetric solutions£a new pair of unsteady asymmetric solutions are found depending on the different initial conditions.A high order unstructured spectral element method with a domain decomposition Stokes solver is presented for the hydrodynamic instability and bifurcation analysis. A Jacobian-Free Inexact-Newton-Krylov algorithm with a Stokes time-stepping preconditioning technique is introduced for the steady-state solution of incompressible flow. A matrix-free arc-length approach with Householder transformation is used for the numerical continuation near a turning point. An Arnoldi method is utilized to calculate the leading eigenvalues and their corresponding eigenvectors for the big system of linearized incompressible Navier-Stokes equations, which are responsible for initiating the hydrodynamic instability. The new method can do the steady and unsteady simulations in the similar way without time-splitting divergence error, it do not form the Jacobian matrix, which can reduce the memory allocation, decrease the computation cost, and speed up the convergence rate. The symmetric-breaking Hopf and Pitchfork bifurcations ...","PeriodicalId":20565,"journal":{"name":"PROCEEDINGS OF THE INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2019 (ICCMSE-2019)","volume":"111 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77598067","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}
Tomas Prorok, R. Jarusek, Pavel Smolka, Martin Černý
This paper deals with a proposal of an application designed to train quantitative abilities of thinking according to the CHC intelligence model. This application is one of the parts in the project called “Intelligent neuro-rehabilitation system for patients with acquired brain damage in early stages of treatment”, whose aim is to develop a smart neuro-rehabilitation system to increase the effectivity of the acute phase of neuro-rehabilitation of patients with brain damage. Following the project’s requirements, the application is prepared as a web application built on the .NET technology.This paper deals with a proposal of an application designed to train quantitative abilities of thinking according to the CHC intelligence model. This application is one of the parts in the project called “Intelligent neuro-rehabilitation system for patients with acquired brain damage in early stages of treatment”, whose aim is to develop a smart neuro-rehabilitation system to increase the effectivity of the acute phase of neuro-rehabilitation of patients with brain damage. Following the project’s requirements, the application is prepared as a web application built on the .NET technology.
{"title":"Application to train cognitive skills according to the CHC intelligence model","authors":"Tomas Prorok, R. Jarusek, Pavel Smolka, Martin Černý","doi":"10.1063/1.5137959","DOIUrl":"https://doi.org/10.1063/1.5137959","url":null,"abstract":"This paper deals with a proposal of an application designed to train quantitative abilities of thinking according to the CHC intelligence model. This application is one of the parts in the project called “Intelligent neuro-rehabilitation system for patients with acquired brain damage in early stages of treatment”, whose aim is to develop a smart neuro-rehabilitation system to increase the effectivity of the acute phase of neuro-rehabilitation of patients with brain damage. Following the project’s requirements, the application is prepared as a web application built on the .NET technology.This paper deals with a proposal of an application designed to train quantitative abilities of thinking according to the CHC intelligence model. This application is one of the parts in the project called “Intelligent neuro-rehabilitation system for patients with acquired brain damage in early stages of treatment”, whose aim is to develop a smart neuro-rehabilitation system to increase the effectivity of the acute phase of neuro-rehabilitation of patients with brain damage. Following the project’s requirements, the application is prepared as a web application built on the .NET technology.","PeriodicalId":20565,"journal":{"name":"PROCEEDINGS OF THE INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2019 (ICCMSE-2019)","volume":"70 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73881119","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":"System-dynamic model of managing the budgetary financial resources in targeted programs","authors":"A. Kolomytseva, M. Medvedeva, V. Kolomiets","doi":"10.1063/1.5137950","DOIUrl":"https://doi.org/10.1063/1.5137950","url":null,"abstract":"","PeriodicalId":20565,"journal":{"name":"PROCEEDINGS OF THE INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2019 (ICCMSE-2019)","volume":"46 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73338495","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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