{"title":"Non-isothermal Activation Kinetics","authors":"A. Arango-Restrepo, J. Rubí","doi":"10.12921/CMST.2017.0000022","DOIUrl":"https://doi.org/10.12921/CMST.2017.0000022","url":null,"abstract":"We analyze the activation kinetics of a system immersed in a non-isothermal bath. Using mesoscopic nonequilibrium thermodynamics, we show that activation is not only driven by the affinity but also by the temperature gradient. Both thermodynamic forces play a role in the kinetics. The presence of a thermal gradient makes the detailed balance principle not fulfilled. We show that although the law of mass action holds locally, in terms of the local temperature, it is in general not valid globally, when the local values of the activation rate and the fugacity difference are replaced by their corresponding spatial averages. We analyze numerically the deviations of that global law from the actual activation kinetics as a function of the temperature gradient and the activation energy. Our analysis shows how to control the reaction rate by means of a temperature gradient.","PeriodicalId":10561,"journal":{"name":"computational methods in science and technology","volume":"214 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2017-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75748822","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":"Intelligent Information Bypass for More Efficient Emergency Management","authors":"Z. Vetulani, J. Osinski","doi":"10.12921/CMST.2017.0000019","DOIUrl":"https://doi.org/10.12921/CMST.2017.0000019","url":null,"abstract":"An information bottleneck is one of the typical failure causes in emergency situations. In this paper we focus on a novel approach that consists in applying an intelligent bypass involving natural language processing and AI technologies to minimize the negative effects of the information bottleneck. The system prototype has been implemented for a public security context (anti-hooligan prevention in large scale sport events). It may be adapted to other emergency situations (from anti-terrorist operations to natural disasters). The added value over the standard function of a bypass is the AI-based processing of the information entered to the bypass. As an example of reasoning performed by the bypass we discuss time-and-space information processing implemented in the beta-prototype of the POLINT-112-SMS system. We present the architecture of this system and provide examples of natural language dialogues between human system users and the system (registered at system testing). We discuss a number of possible application areas for the information bypass technology.","PeriodicalId":10561,"journal":{"name":"computational methods in science and technology","volume":"2005 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2017-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87916072","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":"Effects of Radiation and Porosity of the Medium on MHD Flow Past an Inclined Plate in the Presence of Hall Current","authors":"U. S. Rajput, G. Kumar","doi":"10.12921/CMST.2017.0000003","DOIUrl":"https://doi.org/10.12921/CMST.2017.0000003","url":null,"abstract":"The present study deals with an analysis of the effects of radiation and porosity of the medium on unsteady natural convection flow of a viscous, incompressible and electrically conducting fluid past an impulsively started inclined plate under the influence of transversely applied uniform magnetic field and Hall current. The medium of the flow is taken as porous. The governing equations involved in the present analysis are solved by the Laplace-transform technique. The results obtained are discussed with the help of graphs drawn for different parameters like thermal Grashof number, mass Grashof Number, Prandtl number, Hall current, radiation, permeability, magnetic field parameter and Schmidt number. The numerical values obtained for skin-friction and Nusselt number have been tabulated. The objective of this study is to analyze radiation and the porosity of the medium in the MHD flow model. In the study we found that the velocity in the boundary layer increases with the values of radiation and porosity of the medium. It is also observed that radiation and porosity of the medium increases the skin-friction at the wall surface. The results of the study are found to be in agreement with the actual flow. The importance of the problem can be seen in cooling of electronic components of a nuclear reactor, bed thermal storage and heat sink in the turbine blades.","PeriodicalId":10561,"journal":{"name":"computational methods in science and technology","volume":"39 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2017-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78010490","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}
L. Stella, H. Ness, Christiane S. Lorenz, L. Kantorovich
{"title":"Modelling a Bistable System Strongly Coupled to a Debye Bath: A Quasiclassical Approach Based on the Generalised Langevin Equation","authors":"L. Stella, H. Ness, Christiane S. Lorenz, L. Kantorovich","doi":"10.12921/cmst.2017.0000006","DOIUrl":"https://doi.org/10.12921/cmst.2017.0000006","url":null,"abstract":"Bistable systems present two degenerate metastable configurations separated by an energy barrier. Thermal or quantum fluctuations can promote the transition between the configurations at a rate which depends on the dynamical properties of the local environment (i.e., a thermal bath). In the case of classical systems, strong system-bath interaction has been successfully modelled by the Generalised Langevin Equation (GLE) formalism. Here we show that the efficient GLE algorithm introduced in Phys. Rev. B 89, 134303 (2014) can be extended to include some crucial aspects of the quantum fluctuations. In particular, the expected isotopic effect is observed along with the convergence of the quantum and classical transition rates in the strong coupling limit. Saturation of the transition rates at low temperature is also retrieved, in qualitative, yet not quantitative, agreement with the analytic predictions. The discrepancies in the tunnelling regime are due to an incorrect sampling close to the barrier top. The domain of applicability of the quasiclassical GLE is also discussed.","PeriodicalId":10561,"journal":{"name":"computational methods in science and technology","volume":"25 1","pages":"251-264"},"PeriodicalIF":0.0,"publicationDate":"2017-04-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79460192","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":"Ian Snook Additional Prize 2016","authors":"M. Stroiński, J. Weglarz, K. Wojciechowski","doi":"10.12921/CMST.2017.0000010","DOIUrl":"https://doi.org/10.12921/CMST.2017.0000010","url":null,"abstract":"","PeriodicalId":10561,"journal":{"name":"computational methods in science and technology","volume":"9 1","pages":"9-9"},"PeriodicalIF":0.0,"publicationDate":"2017-03-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83659774","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}
R. Katarzyniak, Wojciech A. Lorkiewicz, Dominik P. Wiecek
{"title":"Some Notes on Extracting Linguistic Summaries Built with Epistemic Modalities and Natural Language Connectives of Equivalence","authors":"R. Katarzyniak, Wojciech A. Lorkiewicz, Dominik P. Wiecek","doi":"10.12921/CMST.2016.0000056","DOIUrl":"https://doi.org/10.12921/CMST.2016.0000056","url":null,"abstract":"In this paper we deal with an original technically oriented model for cognitive semantics. As the expected area of application we focus on the process of extraction of modal linguistic summaries from data managed by autonomous components of ambient systems and intelligent environments. As such, the cognitive semantics is defined for a particular case of modal natural language statements with epistemic modalities. The statements of interest are built with natural language operators, representing epistemic modalities (related to the main cognitive states of knowledge certainty: full certainty, strong belief and epistemic possibility), and natural language connectives of equivalence. Furthermore, an approach to their effective processing by autonomous computational systems is designed. An internal architecture of the autonomous computational component is designed with respect to modular model for natural language processing with separate modules for epistemic and semantic memory storage and processing. An original theoretical concept underlying the model of semantic memory is a holon defined as a collection of complementary linguistic protoforms. Finally, we provide several illustrative computational examples of linguistic summaries’ extraction, based on artificial and real data.","PeriodicalId":10561,"journal":{"name":"computational methods in science and technology","volume":"23 11 1","pages":"19-41"},"PeriodicalIF":0.0,"publicationDate":"2017-03-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84470200","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":"Supporting the Creation of Some Class of Well-founded OWL-DL Ontologies","authors":"J. Cybulka","doi":"10.12921/CMST.2016.0000064","DOIUrl":"https://doi.org/10.12921/CMST.2016.0000064","url":null,"abstract":"We present the method for creating semantically rich OWL-DL ontologies. Such ontologies contain a top part consisting of the most general concepts that are linked by carefully designed basic formal relations, which is why the ontologies are called well-founded. As the top part we apply the foundational paradigm of constructive descriptions and situations c.DnS known from literature, using it to obtain the method of a layered ontology creation. Every layer may contain ontological capsules, i.e. modules that are defined according to an expressive content pattern (formed on the basis of c.DnS), which makes the whole ontology well-founded. The method is equipped with the semantically strong computational tool that effectively supports a user in the process of creation and population of the considered well-founded ontologies.","PeriodicalId":10561,"journal":{"name":"computational methods in science and technology","volume":"18 1","pages":"57-64"},"PeriodicalIF":0.0,"publicationDate":"2017-03-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87210218","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":"Reflection and Refraction of Plane Harmonic Waves at an Interface Between Elastic Solid and Magneto-thermoelastic Diffusion Solid with Voids","authors":"Rajesh Kumar, T. Kansal","doi":"10.12921/CMST.2016.0000036","DOIUrl":"https://doi.org/10.12921/CMST.2016.0000036","url":null,"abstract":"The problem of the reflection and refraction phenomenon due to longitudinal and transverse waves incident obliquely at a plane interface between uniform elastic solid half-space and magneto-thermoelastic diffusive solid half-space with voids has been studied. It is found that the amplitude ratios of various reflected and refracted waves are functions of the angle of incidence and frequency of the incident wave. The amplitude ratios and energy ratios have been computed numerically for a particular model. The variations of energy ratios with angle of incidence are shown graphically.","PeriodicalId":10561,"journal":{"name":"computational methods in science and technology","volume":"41 1","pages":"43-56"},"PeriodicalIF":0.0,"publicationDate":"2017-03-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82610474","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}
M. Strzelecki, M. Strąkowska, R. Strąkowski, A. Kaszuba
{"title":"Cold Provocation and Active Thermography in Medical Screening","authors":"M. Strzelecki, M. Strąkowska, R. Strąkowski, A. Kaszuba","doi":"10.12921/CMST.2017.0000007","DOIUrl":"https://doi.org/10.12921/CMST.2017.0000007","url":null,"abstract":"This paper presents application of active thermography as a tool for supporting diagnosis of selected dermatological diseases. The cold stress method is used to stimulate human skin and to measure its temperature change in time. Image and data processing techniques are applied to calculate response parameters and plot their spatial distributions (maps). The proposed technique was applied to estimate differences between healthy and unhealthy tissue for patients with psoriasis. Another application concerns detection of regions characterized by different vascularization under the skin. Obtained preliminary results are promising. It was demonstrated that the developed method, after further testing, can be a useful tool to improve the standard diagnostic procedures.","PeriodicalId":10561,"journal":{"name":"computational methods in science and technology","volume":"34 1","pages":"65-71"},"PeriodicalIF":0.0,"publicationDate":"2017-03-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85149229","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":"Non-monotonic Relaxation in a HarmonicWell","authors":"M. King, O. Jepps","doi":"10.12921/CMST.2017.0000001","DOIUrl":"https://doi.org/10.12921/CMST.2017.0000001","url":null,"abstract":"The dissipation function of Evans and Searles has its origins in describing entropy production, yet it has a straightforward dynamical interpretation as well. The ability to consider either dynamical or thermodynamical contexts deepens our understanding of the dissipation function as a concept, and of numerical results involving the dissipation function. One recent, important application of the dissipation function is in relaxation to equilibrium. Here we look at relaxation in a system of interacting molecules that are confined within a harmonic potential, undergoing Hamiltonian dynamics. We note some similarities, but also important differences, to previous studies. The dissipation function sheds light on the periodic return of our system towards its initial state. We find that intermolecular interactions play a much more significant role in the relaxation toward a non-uniform spatial distribution (induced by a conservative background field) than they do toward a uniform distribution, which is reflected in the strongly non-monotonic relaxation we observe. We also find that the maximum dissipation does not occur in the long-time limit, as one might expect of a relaxation process, but shortly after relaxation begins, beyond which a significant net overall decrease in the dissipation function is observed.","PeriodicalId":10561,"journal":{"name":"computational methods in science and technology","volume":"95 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2017-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90275569","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}