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Molecular Dynamics Simulation

ISBN: 9783906980652 9783906980669 Year: Pages: 628 Language: English
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Added to DOAB on : 2015-01-12 11:36:09
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Abstract

Condensed matter systems, ranging from simple fluids and solids to complex multicomponent materials and even biological matter, are governed by well understood laws of physics, within the formal theoretical framework of quantum theory and statistical mechanics. On the relevant scales of length and time, the appropriate ‘first-principles’ description needs only the Schroedinger equation together with Gibbs averaging over the relevant statistical ensemble. However, this program cannot be carried out straightforwardly—dealing with electron correlations is still a challenge for the methods of quantum chemistry. Similarly, standard statistical mechanics makes precise explicit statements only on the properties of systems for which the many-body problem can be effectively reduced to one of independent particles or quasi-particles. [...]

Liquid Crystals: From Modified Phases to Applications 2014

ISBN: 9783906980850 9783906980867 Year: Pages: 320
Publisher: MDPI - Multidisciplinary Digital Publishing Institute
Added to DOAB on : 2015-10-22 06:24:45
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Liquid crystals can be found in both synthetic and natural materials, which include DNA, cellulose, soaps, and cholesteryl esters. Liquid crystal basic concepts are an inspiration for various branches of physics, chemistry, materials science, mathematics, biology, and engineering. These concepts enable the synthesis and characterization of new materials with low-molecular weight, as well as of polymeric and elastomeric materials. Fundamental theories and models of liquid crystals have gained great importance in many scientific communities. The concepts of orientational order and cooperative molecular behavior have entered the actual basic knowledge of the bio-sciences community, and have contributed to the understanding of muscle function, cell division and membranes, and morphogenesis.Recent trends in liquid crystal research include topics such as polymer-modified anisotropic fluids, dispersions of liquid crystals with various nano-sized particles, topological defects in soft materials, new lyotropic systems, liquid crystal functionality in living systems, and the synthesis of liquid crystal based functional materials (e.g., photonic materials, organic plastic conductors, semiconductors, materials in sensors, materials used in switchable GHz applications, and materials for data storage), along with the study of these materials’ properties and applications.

Investigations on Joule heating applications by multiphysical continuum simulations in nanoscale systems

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Book Series: Schriftenreihe des Instituts für Angewandte Materialien, Karlsruher Institut für Technologie ISSN: 21929963 ISBN: 9783731502616 Year: Volume: 43 Pages: XIX, 222 p. DOI: 10.5445/KSP/1000042982 Language: ENGLISH
Publisher: KIT Scientific Publishing
Subject: Technology (General)
Added to DOAB on : 2019-07-30 20:01:58
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This work furthers the overall understanding of a 3w-measurement, by considering previously unexamined macroscopic influence factors within measurement by Finite Element simulations (FES). Moreover, new measuring configurations are developed to determine (an)isotropic thermal conductivities of nanoscale samples. Since no analytic solutions are available for these configurations, a new evaluation methodology is presented to determine emergent thermal conductivities by FES and Neural Networks.

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