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International Journal for Multiscale Computational Engineering

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ISSN Печать: 1543-1649

ISSN Онлайн: 1940-4352

The Impact Factor measures the average number of citations received in a particular year by papers published in the journal during the two preceding years. 2017 Journal Citation Reports (Clarivate Analytics, 2018) IF: 1.4 To calculate the five year Impact Factor, citations are counted in 2017 to the previous five years and divided by the source items published in the previous five years. 2017 Journal Citation Reports (Clarivate Analytics, 2018) 5-Year IF: 1.3 The Immediacy Index is the average number of times an article is cited in the year it is published. The journal Immediacy Index indicates how quickly articles in a journal are cited. Immediacy Index: 2.2 The Eigenfactor score, developed by Jevin West and Carl Bergstrom at the University of Washington, is a rating of the total importance of a scientific journal. Journals are rated according to the number of incoming citations, with citations from highly ranked journals weighted to make a larger contribution to the eigenfactor than those from poorly ranked journals. Eigenfactor: 0.00034 The Journal Citation Indicator (JCI) is a single measurement of the field-normalized citation impact of journals in the Web of Science Core Collection across disciplines. The key words here are that the metric is normalized and cross-disciplinary. JCI: 0.46 SJR: 0.333 SNIP: 0.606 CiteScore™:: 3.1 H-Index: 31

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Multiscale Modeling Of Polymer Composite Properties

Том 3, Выпуск 2, 2005, pp. 199-225
DOI: 10.1615/IntJMultCompEng.v3.i2.60
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Краткое описание

Polymer composites are heterogeneous viscoelastic media. The ascertainment of the quantitative relations between the microstructure and macromechanical properties of these materials is a very important scientific problem. Some distinctive computer technologies, which lead to multiscale computational experiments and investigations of peculiarities of micromechanical behavior of heterogeneous composite media taking into consideration atomic-molecular formations, have been discussed. These approximations are important elements in the nanotechnological problem of construction of new perspective materials. We consider the results of calculation by the Monte Carlo approach as a perspective method for the description of the important features of atomic and molecular texture and energetics of heterogeneous polymer media, namely, different flexible-chain molecules and nanoclusters of technical carbon chemically terminated with different substances. The representative element of this structure keeps up to 1.5 × 106 atoms. The parallel technologies of calculations and supercomputers have been used. Estimation of structural peculiarities and energies of interaction of systems consisted of polymeric macromolecules and nanoparticles of fillers, variation of superficial chemical properties of fillers, and evaluation of water presence inside the media, all of which are ideated as highly useful for the understanding of the macromechanics of composites. The quantum-mechanical approach is discussed as the method for solution of the foremost problems of micromechanics of reinforced polymer (rubber) composites, namely, (i) an investigation of the interaction of soot model particles with nonterminated and H-terminated surfaces, with segments of polymer chain with different chemical structures, and consideration of the impact of a chemical nature of the polymer and chemical nature of surface soot modification on the enthalpy of binding and the force of micromolecular shifting (friction); (ii) an investigation of the interaction of soot particles without an interface layer between them, and evaluation of the influence of chemical modification of the soot surface on the binding enthalpy and the shifting force of these particles (nonterminated and terminated by H, OH, and COO surface groups); and (iii) an investigation of the interaction of soot particles with an interparticle layer of polymer and water between soot particles, and evaluation of the chemical nature of the particles that are adsorbed at the interface of soot particles on their binding enthalpy and force of microscopic friction (nonterminated and terminated by H soot surfaces). Calculations were done in a parallel mode using supercomputer MVC-1000M (Moscow). Optimization of the viscoelastic behavior of composite media such as rubbers leads to the procedure of identification. Validity of the effect of reinforcement on the basis of the analysis of relaxation properties of materials seems very promising.

ЦИТИРОВАНО В
  1. Theodoropoulos C., Luna-Ortiz E., A Reduced Input/Output Dynamic Optimisation Method for Macroscopic and Microscopic Systems, in Model Reduction and Coarse-Graining Approaches for Multiscale Phenomena, 2006. Crossref

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