PROCEEDINGS OF THE INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2019 (ICCMSE-2019)最新文献

{"title":"The adiabatic potential of the He-H interaction","authors":"E. Orlenko, Andrey K. Barilov, F. Orlenko","doi":"10.1063/1.5137914","DOIUrl":"https://doi.org/10.1063/1.5137914","url":null,"abstract":"We compute an adiabatic potential of the Hydrogen-Helium interaction by using a new approach based on the regular method of the Exchange perturbation theory (EPT). We present the results in the analytical form. A proofed completeness property for a non-orthogonal set of anti-symmetrized wave functions allows to present solution as an expansion on this set. The corrections to the antisymmetrized wave functions of zeroth approximation are properly antisymmetric.We compute an adiabatic potential of the Hydrogen-Helium interaction by using a new approach based on the regular method of the Exchange perturbation theory (EPT). We present the results in the analytical form. A proofed completeness property for a non-orthogonal set of anti-symmetrized wave functions allows to present solution as an expansion on this set. The corrections to the antisymmetrized wave functions of zeroth approximation are properly antisymmetric.","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":"86128534","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":"Preface of the “GIS, Remote Sensing and Dendrochronology in Geohazards”","authors":"D. Absalon, I. Malik","doi":"10.1063/1.5138032","DOIUrl":"https://doi.org/10.1063/1.5138032","url":null,"abstract":"","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":"73299483","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":"Brownian simulation algorithm for the coherent optical excitation of electron-donor-acceptor complexes","authors":"D. Kononov, S. Feskov","doi":"10.1063/1.5137918","DOIUrl":"https://doi.org/10.1063/1.5137918","url":null,"abstract":"A stochastic model of electron-donor-acceptor complex (EDAC) interacting coherently with a short laser pulse within the charge transfer band is considered in the low-field approximation. An analytical expression for the probability of detection the complex in the excited electronic state is obtained within the perturbation theory in the optical coupling parameter. New computational scheme for numerical simulations of coherent optical excitation in EDACs is proposed. This scheme extends the recrossing-algorithm of the Brownian simulation (RABS) method developed earlier for simulations of nonequilibrium electron transfer within the multimode Zusman/Jortner-Bixon model. The proposed algorithm implies calculations of stochastic trajectories of quasiparticles in multidimensional space of solvent coordinates, as well as transitions between different electronic and vibrational states of EDAC. Applicability conditions and efficiency of the algorithm are discussed.A stochastic model of electron-donor-acceptor complex (EDAC) interacting coherently with a short laser pulse within the charge transfer band is considered in the low-field approximation. An analytical expression for the probability of detection the complex in the excited electronic state is obtained within the perturbation theory in the optical coupling parameter. New computational scheme for numerical simulations of coherent optical excitation in EDACs is proposed. This scheme extends the recrossing-algorithm of the Brownian simulation (RABS) method developed earlier for simulations of nonequilibrium electron transfer within the multimode Zusman/Jortner-Bixon model. The proposed algorithm implies calculations of stochastic trajectories of quasiparticles in multidimensional space of solvent coordinates, as well as transitions between different electronic and vibrational states of EDAC. Applicability conditions and efficiency of the algorithm are discussed.","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":"90162298","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":"Model of information multi-stage process in structured system","authors":"O. Malafeyev, N. Redinskikh, I. Zaitseva, T. Smirnova, D. Kolesov","doi":"10.1063/1.5138092","DOIUrl":"https://doi.org/10.1063/1.5138092","url":null,"abstract":"The information process consisting of the stages of collection, processing, storage and protection of information is considered in this paper. The process is formalized in the form of a structurally logical scheme consisting of stages of the information process. It is assumed that the process of collecting, processing and storing information is carried out by special equipment. The analysis of the process under investigation is presented. A numerical example is given.The information process consisting of the stages of collection, processing, storage and protection of information is considered in this paper. The process is formalized in the form of a structurally logical scheme consisting of stages of the information process. It is assumed that the process of collecting, processing and storing information is carried out by special equipment. The analysis of the process under investigation is presented. A numerical example is given.","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":"86005322","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":"Evaluation and mapping of the hazardous deflation and sand blowing in Volyn province, Ukraine","authors":"M. Grodzynskyi, A. Melnyk, O. Obodovskyi, D. Svidzinska","doi":"10.1063/1.5138045","DOIUrl":"https://doi.org/10.1063/1.5138045","url":null,"abstract":"The mathematical reliability theory and landscape mapping were used for quantitative assessment and mapping of the probabilities of hazardous processes caused by the wind for the landscapes of fluvioglacial sandy lowlands of the Eastern Europe. Volyn province serves as a case study area in the research. Calculations and maps show that for a time period of 10 years soil deflation and sand blowing are probable for almost all the province’s area, although before the land reclamation works these processes have been observed within arable lands only.The mathematical reliability theory and landscape mapping were used for quantitative assessment and mapping of the probabilities of hazardous processes caused by the wind for the landscapes of fluvioglacial sandy lowlands of the Eastern Europe. Volyn province serves as a case study area in the research. Calculations and maps show that for a time period of 10 years soil deflation and sand blowing are probable for almost all the province’s area, although before the land reclamation works these processes have been observed within arable lands only.","PeriodicalId":20565,"journal":{"name":"PROCEEDINGS OF THE INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2019 (ICCMSE-2019)","volume":"101 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78093703","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":"CAE analysis on the mechanical properties of a 3D-printed lattice structure from Ti-6Al-4V for biomedical applications","authors":"Yu-lian Lin, Chun-Ying Lee, Jhewn-Kuang Chen","doi":"10.1063/1.5138067","DOIUrl":"https://doi.org/10.1063/1.5138067","url":null,"abstract":"This study investigates the structural compression properties of the additive manufactured (AM) Ti-6Al-4V lattice structure using LS-Dyna simulation analysis software and calculates its mechanical properties under different porosities and different pattern designs. Ti-6Al-4V alloys formed by using additive manufacturing produced elliptic holes with long and short axes due to the difference in the direction of construction. These holes could be eliminated and the materials could be compacted by hot isostatic pressing (HIP) treatment. Compactness of the frame element achieved 99.9% and drastically reduced the anisotropic behavior caused by the fabrication process. For the experimental testing, the samples with different porosities and the A-type and AZ-type designs were employed in compression experiment. In the meantime, the Young’s modulus, the yield strength, plateau stress and other mechanical behavior were investigated by CAE simulation. The plateau stress, which is an important property for some biomedical applications, was calculated with satisfactory accuracy compared with experimental measurements. The simulated results of the designed lattice structures with different porosity contents were able to adopt the Gibson-Ashby model to determine their failure mechanisms. Finally, the CAE simulation for the design of an auxetic material was demonstrated.This study investigates the structural compression properties of the additive manufactured (AM) Ti-6Al-4V lattice structure using LS-Dyna simulation analysis software and calculates its mechanical properties under different porosities and different pattern designs. Ti-6Al-4V alloys formed by using additive manufacturing produced elliptic holes with long and short axes due to the difference in the direction of construction. These holes could be eliminated and the materials could be compacted by hot isostatic pressing (HIP) treatment. Compactness of the frame element achieved 99.9% and drastically reduced the anisotropic behavior caused by the fabrication process. For the experimental testing, the samples with different porosities and the A-type and AZ-type designs were employed in compression experiment. In the meantime, the Young’s modulus, the yield strength, plateau stress and other mechanical behavior were investigated by CAE simulation. The plateau stress, which is an important property for some biome...","PeriodicalId":20565,"journal":{"name":"PROCEEDINGS OF THE INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2019 (ICCMSE-2019)","volume":"153 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76151213","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":"Allometric relationship between volume to surface ratio and incubation days in bird’s eggs","authors":"A. Atanasov","doi":"10.1063/1.5138021","DOIUrl":"https://doi.org/10.1063/1.5138021","url":null,"abstract":"The correlation coefficient between bird eggs volume to surface ratio and incubation time in 28 eggs (from Struthio camelus to Calypte anna) is R =0.561. The eggs volume (Vegg, m3), eggs surface (Segg, m2), incubation times (Tinc, s) and oxygen permeability coefficient (KO2, m/s) trough inner egg membrane are connected by allometric relationship: Vegg /(Segg·Tinc)=KO2 (for 1 Torr oxygen pressure trough egg shell membranes). This relationship allows calculate dynamics of oxygen permeability coefficient trough inner egg shell membrane during bird embryonal development.The correlation coefficient between bird eggs volume to surface ratio and incubation time in 28 eggs (from Struthio camelus to Calypte anna) is R =0.561. The eggs volume (Vegg, m3), eggs surface (Segg, m2), incubation times (Tinc, s) and oxygen permeability coefficient (KO2, m/s) trough inner egg membrane are connected by allometric relationship: Vegg /(Segg·Tinc)=KO2 (for 1 Torr oxygen pressure trough egg shell membranes). This relationship allows calculate dynamics of oxygen permeability coefficient trough inner egg shell membrane during bird embryonal development.","PeriodicalId":20565,"journal":{"name":"PROCEEDINGS OF THE INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2019 (ICCMSE-2019)","volume":"69 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80344752","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":"Applying distance maintaining calculation method on multi-rotor UAV swarm","authors":"J. Chen, Yung-Gi Wu, Chialiang Lin","doi":"10.1063/1.5138063","DOIUrl":"https://doi.org/10.1063/1.5138063","url":null,"abstract":"Over the past few years, multi-rotor drones have been widely used for the both military and civilian purposes. In this paper, we are taking steps for finding a method to calculate and keep the distance in order to make the ranges of photos of every UAVs connected according to the lens and flight height. Finally, we succeeded to develop the distance maintaining calculation method via implementing angel of view formula.Over the past few years, multi-rotor drones have been widely used for the both military and civilian purposes. In this paper, we are taking steps for finding a method to calculate and keep the distance in order to make the ranges of photos of every UAVs connected according to the lens and flight height. Finally, we succeeded to develop the distance maintaining calculation method via implementing angel of view formula.","PeriodicalId":20565,"journal":{"name":"PROCEEDINGS OF THE INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2019 (ICCMSE-2019)","volume":"20 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89323238","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":"Hygric and thermal properties of selected materials suitable for interior thermal insulation systems","authors":"M. Jerman, R. Černý","doi":"10.1063/1.5137976","DOIUrl":"https://doi.org/10.1063/1.5137976","url":null,"abstract":"The properties of three thermal insulation wood fiber boards suitable for the application on the interior side of historical building envelopes are studied in the paper. Water absorption coefficient, apparent moisture diffusivity, thermal conductivity, and specific heat capacity of all materials, as fundamental hygric and thermal parameters, are measured in a dependence on moisture content. The measured data will be used as input parameters in computer simulation studies which will provide moisture and temperature fields necessary for an appropriate design of interior thermal insulation systems.The properties of three thermal insulation wood fiber boards suitable for the application on the interior side of historical building envelopes are studied in the paper. Water absorption coefficient, apparent moisture diffusivity, thermal conductivity, and specific heat capacity of all materials, as fundamental hygric and thermal parameters, are measured in a dependence on moisture content. The measured data will be used as input parameters in computer simulation studies which will provide moisture and temperature fields necessary for an appropriate design of interior thermal insulation systems.","PeriodicalId":20565,"journal":{"name":"PROCEEDINGS OF THE INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2019 (ICCMSE-2019)","volume":"39 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90330075","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":"Hyperspherical coordinates and energy partitions for reactive processes and clusters","authors":"A. Lombardi, F. Palazzetti, M. Sevryuk","doi":"10.1063/1.5137925","DOIUrl":"https://doi.org/10.1063/1.5137925","url":null,"abstract":"The hyperspherical coordinate systems have been developed for the study of few-body scattering problems of nuclear and molecular physics, for example in the practical implementation of demanding quantum calculations typical of chemical reactions. The hyperangular momenta and their eigenfunctions, the hyperspherical harmonics, are the mathematical apparatus characterizing the hyperspherical representation of molecular dynamics. To circumvent the restriction to the application of the hyperspherical methods, due to exceedingly high computational costs, a classical mechanics hyperspherical formulation has been developed suitable for applications to clusters and large molecular system dynamics. The asymptotic theory of generalized harmonics connected with that of spin networks establishes semiclassical connections for treating discretization procedures, specifically, the hyperquantization algorithm treated by us elsewhere.The hyperspherical coordinate systems have been developed for the study of few-body scattering problems of nuclear and molecular physics, for example in the practical implementation of demanding quantum calculations typical of chemical reactions. The hyperangular momenta and their eigenfunctions, the hyperspherical harmonics, are the mathematical apparatus characterizing the hyperspherical representation of molecular dynamics. To circumvent the restriction to the application of the hyperspherical methods, due to exceedingly high computational costs, a classical mechanics hyperspherical formulation has been developed suitable for applications to clusters and large molecular system dynamics. The asymptotic theory of generalized harmonics connected with that of spin networks establishes semiclassical connections for treating discretization procedures, specifically, the hyperquantization algorithm treated by us elsewhere.","PeriodicalId":20565,"journal":{"name":"PROCEEDINGS OF THE INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2019 (ICCMSE-2019)","volume":"12 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83622563","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}