Pub Date : 2021-11-01DOI: 10.1016/j.jocs.2021.101489
Nesrine Khouzami, F. Michel, Pietro Incardona, J. Castrillón, I. Sbalzarini
{"title":"Model-based autotuning of discretization methods in numerical simulations of partial differential equations","authors":"Nesrine Khouzami, F. Michel, Pietro Incardona, J. Castrillón, I. Sbalzarini","doi":"10.1016/j.jocs.2021.101489","DOIUrl":"https://doi.org/10.1016/j.jocs.2021.101489","url":null,"abstract":"","PeriodicalId":14601,"journal":{"name":"J. Comput. Sci.","volume":"31 1","pages":"101489"},"PeriodicalIF":0.0,"publicationDate":"2021-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85273308","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 : 2021-11-01DOI: 10.1016/j.jocs.2021.101485
Virginia Riego, Lidia Sánchez-González, Laura Fernández-Robles, Alexis Gutiérrez-Fernández, N. Strisciuglio
{"title":"Burr detection and classification using RUSTICO and image processing","authors":"Virginia Riego, Lidia Sánchez-González, Laura Fernández-Robles, Alexis Gutiérrez-Fernández, N. Strisciuglio","doi":"10.1016/j.jocs.2021.101485","DOIUrl":"https://doi.org/10.1016/j.jocs.2021.101485","url":null,"abstract":"","PeriodicalId":14601,"journal":{"name":"J. Comput. Sci.","volume":"4 1","pages":"101485"},"PeriodicalIF":0.0,"publicationDate":"2021-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73217452","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 : 2021-11-01DOI: 10.1016/j.jocs.2021.101486
N. Farajzadeh, Mahdi Hashemzadeh
{"title":"A deep neural network based framework for restoring the damaged persian pottery via digital inpainting","authors":"N. Farajzadeh, Mahdi Hashemzadeh","doi":"10.1016/j.jocs.2021.101486","DOIUrl":"https://doi.org/10.1016/j.jocs.2021.101486","url":null,"abstract":"","PeriodicalId":14601,"journal":{"name":"J. Comput. Sci.","volume":"86 1","pages":"101486"},"PeriodicalIF":0.0,"publicationDate":"2021-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81199266","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 : 2021-09-03DOI: 10.33774/chemrxiv-2021-39nhv
Ingo Tischler, Florian Weik, R. Kaufmann, Michael Kuron, R. Weeber, Christian Holm
We introduce a scheme to simulate the spatial and temporal evolution of the densities of charged species, taking into account diffusion, thermal fluctuations, coupling to a carrier fluid, and chemical reactions. To this end, the diffusive fluxes in the electrokinetic model by Capuani et al. [1] are supplemented with thermal fluctuations. Chemical reactions are included via an additional source term in the mass balance equation. The diffusion-reaction model is then coupled to a solver for fluctuating hydrodynamics based on the lattice Boltzmann method. We describe our implementations, one based on the automatic code generation tools using pystencils and lbmpy, and another one contained as in the molecular dynamics package ESPResSo which allows the coupling of particles to the density fields. We validate our implementations by demonstrating that the expected influence of density fluctuations on the reaction rate for chemical reactions of order > 1 is reproduced. Our novel algorithm will be applicable to coarse-grained catalysis problems as well as to many other multi-scale problems that require the coupling of explicit-particle simulations with flow fields, diffusion, and reaction problems in arbitrary geometries.
{"title":"A thermalized electrokinetics model including stochastic reactions suitable for multiscale simulations of reaction-advection-diffusion systems","authors":"Ingo Tischler, Florian Weik, R. Kaufmann, Michael Kuron, R. Weeber, Christian Holm","doi":"10.33774/chemrxiv-2021-39nhv","DOIUrl":"https://doi.org/10.33774/chemrxiv-2021-39nhv","url":null,"abstract":"We introduce a scheme to simulate the spatial and temporal evolution of the densities of charged species, taking into account diffusion, thermal fluctuations, coupling to a carrier fluid, and chemical reactions. To this end, the diffusive fluxes in the electrokinetic model by Capuani et al. [1] are supplemented with thermal fluctuations. Chemical reactions are included via an additional source term in the mass balance equation. The diffusion-reaction model is then coupled to a solver for fluctuating hydrodynamics based on the lattice Boltzmann method. We describe our implementations, one based on the automatic code generation tools using pystencils and lbmpy, and another one contained as in the molecular dynamics package ESPResSo which allows the coupling of particles to the density fields. We validate our implementations by demonstrating that the expected influence of density fluctuations on the reaction rate for chemical reactions of order > 1 is reproduced. Our novel algorithm will be applicable to coarse-grained catalysis problems as well as to many other multi-scale problems that require the coupling of explicit-particle simulations with flow fields, diffusion, and reaction problems in arbitrary geometries.","PeriodicalId":14601,"journal":{"name":"J. Comput. Sci.","volume":"204 1","pages":"101770"},"PeriodicalIF":0.0,"publicationDate":"2021-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76031186","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 : 2021-04-01DOI: 10.1016/J.JOCS.2021.101326
Sergio Muñoz, C. Iglesias
{"title":"An agent based simulation system for analyzing stress regulation policies at the workplace","authors":"Sergio Muñoz, C. Iglesias","doi":"10.1016/J.JOCS.2021.101326","DOIUrl":"https://doi.org/10.1016/J.JOCS.2021.101326","url":null,"abstract":"","PeriodicalId":14601,"journal":{"name":"J. Comput. Sci.","volume":"34 1","pages":"101326"},"PeriodicalIF":0.0,"publicationDate":"2021-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76608690","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 : 2021-04-01DOI: 10.1016/J.JOCS.2021.101331
Yakun Wang, Xiaodong Han
{"title":"Attractive community detection in academic social network","authors":"Yakun Wang, Xiaodong Han","doi":"10.1016/J.JOCS.2021.101331","DOIUrl":"https://doi.org/10.1016/J.JOCS.2021.101331","url":null,"abstract":"","PeriodicalId":14601,"journal":{"name":"J. Comput. Sci.","volume":"62 6","pages":"101331"},"PeriodicalIF":0.0,"publicationDate":"2021-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72588894","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 : 2021-04-01DOI: 10.1016/J.JOCS.2020.101281
Z. Halim, Hussain Mahmood Sargana, Aadam, Uzma, M. Waqas
{"title":"Clustering of graphs using pseudo-guided random walk","authors":"Z. Halim, Hussain Mahmood Sargana, Aadam, Uzma, M. Waqas","doi":"10.1016/J.JOCS.2020.101281","DOIUrl":"https://doi.org/10.1016/J.JOCS.2020.101281","url":null,"abstract":"","PeriodicalId":14601,"journal":{"name":"J. Comput. Sci.","volume":"11 12 1","pages":"101281"},"PeriodicalIF":0.0,"publicationDate":"2021-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82735604","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 : 2021-04-01DOI: 10.1016/J.JOCS.2021.101338
S. Ernst, L. Kotulski, T. Lerch, M. Rad, A. Sȩdziwy, I. Wojnicki
{"title":"Application of reactive power compensation algorithm for large-scale street lighting","authors":"S. Ernst, L. Kotulski, T. Lerch, M. Rad, A. Sȩdziwy, I. Wojnicki","doi":"10.1016/J.JOCS.2021.101338","DOIUrl":"https://doi.org/10.1016/J.JOCS.2021.101338","url":null,"abstract":"","PeriodicalId":14601,"journal":{"name":"J. Comput. Sci.","volume":"40 1","pages":"101338"},"PeriodicalIF":0.0,"publicationDate":"2021-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91549950","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 : 2021-04-01DOI: 10.1016/J.JOCS.2021.101328
Elías D. Nino-Ruiz
{"title":"A data-driven localization method for ensemble based data assimilation","authors":"Elías D. Nino-Ruiz","doi":"10.1016/J.JOCS.2021.101328","DOIUrl":"https://doi.org/10.1016/J.JOCS.2021.101328","url":null,"abstract":"","PeriodicalId":14601,"journal":{"name":"J. Comput. Sci.","volume":"2012 1","pages":"101328"},"PeriodicalIF":0.0,"publicationDate":"2021-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88055229","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}