21 research outputs found

    Atomistic Models of Materials: Mathematical Challenges

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    Applied Mathematics to Mechanisms and Machines

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    This book brings together all 16 articles published in the Special Issue "Applied Mathematics to Mechanisms and Machines" of the MDPI Mathematics journal, in the section “Engineering Mathematics”. The subject matter covered by these works is varied, but they all have mechanisms as the object of study and mathematics as the basis of the methodology used. In fact, the synthesis, design and optimization of mechanisms, robotics, automotives, maintenance 4.0, machine vibrations, control, biomechanics and medical devices are among the topics covered in this book. This volume may be of interest to all who work in the field of mechanism and machine science and we hope that it will contribute to the development of both mechanical engineering and applied mathematics

    Geometric control of quantum mechanical and nonlinear classical systems

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    Thesis (Ph.D.)--Massachusetts Institute of Technology, Dept. of Mechanical Engineering, 1999.Includes bibliographical references (p. 89-96).by Richard Joseph Nelson.Ph.D

    5th EUROMECH nonlinear dynamics conference, August 7-12, 2005 Eindhoven : book of abstracts

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    5th EUROMECH nonlinear dynamics conference, August 7-12, 2005 Eindhoven : book of abstracts

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    All-Atom Multiscale Computational Modeling Of Viral Dynamics

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    Thesis (Ph.D.) - Indiana University, Chemistry, 2009Viruses are composed of millions of atoms functioning on supra-nanometer length scales over timescales of milliseconds or greater. In contrast, individual atoms interact on scales of angstroms and femtoseconds. Thus they display dual microscopic/macroscopic characteristics involving processes that span across widely-separated time and length scales. To address this challenge, we introduced automatically generated collective modes and order parameters to capture viral large-scale low-frequency coherent motions. With an all-atom multiscale analysis (AMA) of the Liouville equation, a stochastic (Fokker-Planck or Smoluchowski) equation and equivalent Langevin equations are derived for the order parameters. They are shown to evolve on timescales much larger than the 10^(-14)-second timescale of fast atomistic vibrations and collisions. This justifies a novel multiscale Molecular Dynamics/Order Parameter eXtrapolation (MD/OPX) approach, which propagates viral atomistic and nanoscale dynamics simultaneously by solving the Langevin equations of order parameters implicitly without the need to construct thermal-average forces and friction/diffusion coefficients. In MD/OPX, a set of short replica MD runs with random atomic velocity initializations estimate the ensemble average rate of change in order parameters, extrapolation of which is then used to project the system over long time. The approach was implemented by using NAMD as the MD platform. Application of MD/OPX to cowpea chlorotic mottle virus (CCMV) capsid revealed that its swollen state undergoes significant energy-driven shrinkage in vacuum during 200ns simulation, while for the native state as solvated in a host medium at pH 7.0 and ionic strength I=0.2M, the N-terminal arms of capsid proteins are shown to be highly dynamic and their fast fluctuations trigger global expansion of the capsid. Viral structural transitions associated with both processes are symmetry-breaking involving local initiation and front propagation. MD/OPX accelerates MD for long-time simulation of viruses, as well as other large bionanosystems. By using universal inter-atomic force fields, it is generally applicable to all dynamical nanostructures and avoids the need of parameter recalibration with each new application. With our AMA method and MD/OPX, viral dynamics are predicted from laws of molecular physics via rigorous statistical mechanics

    Advances in Vibration Analysis Research

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    Vibrations are extremely important in all areas of human activities, for all sciences, technologies and industrial applications. Sometimes these Vibrations are useful but other times they are undesirable. In any case, understanding and analysis of vibrations are crucial. This book reports on the state of the art research and development findings on this very broad matter through 22 original and innovative research studies exhibiting various investigation directions. The present book is a result of contributions of experts from international scientific community working in different aspects of vibration analysis. The text is addressed not only to researchers, but also to professional engineers, students and other experts in a variety of disciplines, both academic and industrial seeking to gain a better understanding of what has been done in the field recently, and what kind of open problems are in this area

    Theoretical Approaches in Non-Linear Dynamical Systems

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    From Preface: The 15th International Conference „Dynamical Systems - Theory and Applications” (DSTA 2019, 2-5 December, 2019, Lodz, Poland) gathered a numerous group of outstanding scientists and engineers who deal with widely understood problems of theoretical and applied dynamics. Organization of the conference would not have been possible without great effort of the staff of the Department of Automation, Biomechanics and Mechatronics of the Lodz University of Technology. The patronage over the conference has been taken by the Committee of Mechanics of the Polish Academy of Sciences and Ministry of Science and Higher Education of Poland. It is a great pleasure that our event was attended by over 180 researchers from 35 countries all over the world, who decided to share the results of their research and experience in different fields related to dynamical systems. This year, the DSTA Conference Proceedings were split into two volumes entitled „Theoretical Approaches in Non-Linear Dynamical Systems” and „Applicable Solutions in Non-Linear Dynamical Systems”. In addition, DSTA 2019 resulted in three volumes of Springer Proceedings in Mathematics and Statistics entitled „Control and Stability of Dynamical Systems”, „Mathematical and Numerical Approaches in Dynamical Systems” and „Dynamical Systems in Mechatronics and Life Sciences”. Also, many outstanding papers will be recommended to special issues of renowned scientific journals.Cover design: Kaźmierczak, MarekTechnical editor: Kaźmierczak, Mare

    AIMETA 2005. Atti del XVII Congresso dell'Associazione italiana di meccanica teorica e applicata. Firenze, 11-15 settembre 2005

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    The volume collects the contributions presented at the XVII national congress of AIMETA. The contributions are grouped according to the various sectors of theoretical and applied mechanics and are offered by a vast scientific community. In addition to the classical sectors, themes of interdisciplinary significance and of considerable interest and highly innovative content were added, for the analysis of which small exchange symposia were proposed. Organised according to 52 sessions (plenary and parallel), the volume contains 290 scientific works that are mainly the result of international cooperation. Therefore, the work represents a significant picture of the current situation and future prospects for mechanics
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