Download or read book A Molecular Dynamics Study of Systems of Hard Ellipses written by Amulya Vanga and published by . This book was released on 2017 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: It is well known that Onsager theory on hard rod system predicts that the system exhibitsan isotropic-nematic phase transition at a critical density. Previous works by Viellard-Baron [1], Frenkel [2], Sheng [3], Foulaadvand [4], by Monte Carlo simulation or moleculardynamics studies of hard ellipse systems, all show similar results. The approach we adoptin this thesis is through molecular dynamics simulation of NVEP ensemble of 900 hardellipses in a two dimensional box with periodic boundary conditions, the only interactionsbetween ellipses being through hard collisions. We demonstrate results on thermodynamicproperties such as linear speed and angular velocity distributions to show that our systemis stabilized. Our results show that the system transits from isotropic uid to nematicphase to solid phase as density increases for aspect ratio 4 and 6 and transits from isotropicphase to solid phase for aspect ratio 2.
Download or read book A Molecular Dynamics Study of a System of Hard Spherocylinders written by Dennis Wayne Rebertus and published by . This book was released on 1977 with total page 158 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Ab Initio Molecular Dynamics written by Dominik Marx and published by Cambridge University Press. This book was released on 2010-01-29 with total page 578 pages. Available in PDF, EPUB and Kindle. Book excerpt: Focusing on a breakthrough combination methodology, this handbook and ready reference is the first book to collect and present all facets of the important Car-Parrinello approach. Clearly divided into three sections, the text covers basic and advanced techniques, before finishing with applications. A must-have for all computational researchers and producers of pharmaceuticals and other complex molecules.
Download or read book Powder and Grains 2001 written by Y. Kishino and published by CRC Press. This book was released on 2020-12-17 with total page 650 pages. Available in PDF, EPUB and Kindle. Book excerpt: The topics discussed in this text range from quasi-static problems to dynamic problems, and are divided into 15 groups, such as: cohesion/cracking; wave propagation; and quasi-static behaviour. Each group contains theoretical, experimental and computational approaches by researchers.
Download or read book Physical Chemistry of Gas Liquid Interfaces written by Jennifer A. Faust and published by Elsevier. This book was released on 2018-05-31 with total page 492 pages. Available in PDF, EPUB and Kindle. Book excerpt: Physical Chemistry of Gas-Liquid Interfaces, the first volume in the Developments in Physical & Theoretical Chemistry series, addresses the physical chemistry of gas transport and reactions across liquid surfaces. Gas–liquid interfaces are all around us, especially within atmospheric systems such as sea spry aerosols, cloud droplets, and the surface of the ocean. Because the reaction environment at liquid surfaces is completely unlike bulk gas or bulk liquid, chemists must readjust their conceptual framework when entering this field. This book provides the necessary background in thermodynamics and computational and experimental techniques for scientists to obtain a thorough understanding of the physical chemistry of liquid surfaces in complex, real-world environments. 2019 PROSE Awards - Winner: Category: Chemistry and Physics: Association of American Publishers Provides an interdisciplinary view of the chemical dynamics of liquid surfaces, making the content of specific use to physical chemists and atmospheric scientists Features 100 figures and illustrations to underscore key concepts and aid in retention for young scientists in industry and graduate students in the classroom Helps scientists who are transitioning to this field by offering the appropriate thermodynamic background and surveying the current state of research
Download or read book Tutorials in Molecular Reaction Dynamics written by Mark Brouard and published by Royal Society of Chemistry. This book was released on 2015-11-09 with total page 507 pages. Available in PDF, EPUB and Kindle. Book excerpt: The focus of this excellent textbook is the topic of molecular reaction dynamics. The chapters are all written by internationally recognised researchers and, from the outset, the contributors are writing with the young scientist in mind. The easy to use, stand-alone, chapters make it of value to students, teachers, and researchers alike. Subjects covered range from the more traditional topics, such as potential energy surfaces, to more advanced and rapidly developing areas, such as femtochemistry and coherent control. The coverage of reaction dynamics is very broad, so many students studying chemical physics will find elements of this text interesting and useful. Tutorials in Molecular Reaction Dynamics includes extensive references to more advanced texts and research papers, and a series of 'Study Boxes' help readers grapple with the more difficult concepts. Each chapter is thoroughly cross-referenced, helping the reader to link concepts from different branches of the subject. Worked problems are included, and each chapter concludes with a selection of problems designed to test understanding of the subjects covered. Supplementary reading material, and worked solutions to the problems, are contained on a secure website.
Download or read book 50 years of Statistical Physics in Mexico Development State of the Art and Perspectives written by Ramon Castañeda-Priego and published by Frontiers Media SA. This book was released on 2021-09-13 with total page 213 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Liquid Crystals and their Computer Simulations written by Claudio Zannoni and published by Cambridge University Press. This book was released on 2022-07-28 with total page 703 pages. Available in PDF, EPUB and Kindle. Book excerpt: A comprehensive introduction to liquid crystals and their computer simulations suitable for students, researchers and industrial scientists.
Download or read book The Physics of Liquid Crystals written by P. G. de Gennes and published by Oxford University Press. This book was released on 1993 with total page 620 pages. Available in PDF, EPUB and Kindle. Book excerpt: This new edition of the classic text incorporates the many advances in knowledge about liquid crystals that have taken place since its initial publication in 1974. Entirely new chapters describe the types and properties of liquid crystals in terms of both recently discovered phases and current insight into the nature of local order and isotropic-to-nematic transition. There is an extensive discussion of the symmetrical, macroscopic, dynamic, and defective properties of smectics and columnar phases, with emphasis on order-of-magnitude considerations, all illustrated with numerous descriptions of experimental arrangements. The final chapter is devoted to phase transitions in smectics, including the celebrated analogy between smectic A and superconductors. This new version's topicality and breadth of coverage will ensure that it remains an indispensable guide for researchers and graduate students in mechanics and engineering, and in chemical, solid state, and statistical physics.
Download or read book Physics Briefs written by and published by . This book was released on 1994 with total page 568 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Computer Simulation of Liquids written by Michael P. Allen and published by Oxford University Press. This book was released on 2017-08-15 with total page 640 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a practical guide to molecular dynamics and Monte Carlo simulation techniques used in the modelling of simple and complex liquids. Computer simulation is an essential tool in studying the chemistry and physics of condensed matter, complementing and reinforcing both experiment and theory. Simulations provide detailed information about structure and dynamics, essential to understand the many fluid systems that play a key role in our daily lives: polymers, gels, colloidal suspensions, liquid crystals, biological membranes, and glasses. The second edition of this pioneering book aims to explain how simulation programs work, how to use them, and how to interpret the results, with examples of the latest research in this rapidly evolving field. Accompanying programs in Fortran and Python provide practical, hands-on, illustrations of the ideas in the text.
Download or read book Biaxial Nematic Liquid Crystals written by Geoffrey R. Luckhurst and published by John Wiley & Sons. This book was released on 2015-03-27 with total page 430 pages. Available in PDF, EPUB and Kindle. Book excerpt: In the nematic liquid crystal phase, rod-shaped molecules move randomly but remain essentially parallel to one another. Biaxial nematics, which were first predicted in 1970 by Marvin Freiser, have their molecules differentially oriented along two axes. They have the potential to create displays with fast switching times and may have applications in thin-film displays and other liquid crystal technologies. This book is the first to be concerned solely with biaxial nematic liquid crystals, both lyotropic and thermotropic, formed by low molar mass as well as polymeric systems. It opens with a general introduction to the biaxial nematic phase and covers: • Order parameters and distribution functions • Molecular field theory • Theories for hard biaxial particles • Computer simulation of biaxial nematics • Alignment of the phase • Display applications • Characterisation and identification • Lyotropic, thermotropic and colloidal systems together with material design With a consistent, coherent and pedagogical approach, this book brings together theory, simulations and experimental studies; it includes contributions from some of the leading figures in the field. It is relevant to students and researchers as well as to industry professionals working in soft matter, liquid crystals, liquid crystal devices and their applications throughout materials science, chemistry, physics, mathematics and display engineering.
Download or read book Fluids Colloids and Soft Materials written by Alberto Fernandez-Nieves and published by John Wiley & Sons. This book was released on 2016-05-09 with total page 444 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents a compilation of self-contained chapters covering a wide range of topics within the broad field of soft condensed matter. Each chapter starts with basic definitions to bring the reader up-to-date on the topic at hand, describing how to use fluid flows to generate soft materials of high value either for applications or for basic research. Coverage includes topics related to colloidal suspensions and soft materials and how they differ in behavior, along with a roadmap for researchers on how to use soft materials to study relevant physics questions related to geometrical frustration.
Download or read book Computer Physics Research Trends written by Silvan J. Bianco and published by Nova Publishers. This book was released on 2007 with total page 286 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book includes within its scope: computational models in physics and physical chemistry; computer programs in physics and physical chemistry; computational models and programs associated with the design, control, and analysis of experiments; numerical methods and algorithms; algebraic computation; impact of advanced computer architecture and special purpose computers on computing in the physical sciences; software topics, including programming environments, languages, data bases, expert systems, and graphics packages related to physical sciences; and, analysis of computer systems performance.
Download or read book Monte Carlo Methods in Statistical Physics written by Kurt Binder and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 425 pages. Available in PDF, EPUB and Kindle. Book excerpt: In the seven years since this volume first appeared. there has been an enormous expansion of the range of problems to which Monte Carlo computer simulation methods have been applied. This fact has already led to the addition of a companion volume ("Applications of the Monte Carlo Method in Statistical Physics", Topics in Current Physics. Vol . 36), edited in 1984, to this book. But the field continues to develop further; rapid progress is being made with respect to the implementation of Monte Carlo algorithms, the construction of special-purpose computers dedicated to exe cute Monte Carlo programs, and new methods to analyze the "data" generated by these programs. Brief descriptions of these and other developments, together with numerous addi tional references, are included in a new chapter , "Recent Trends in Monte Carlo Simulations" , which has been written for this second edition. Typographical correc tions have been made and fuller references given where appropriate, but otherwise the layout and contents of the other chapters are left unchanged. Thus this book, together with its companion volume mentioned above, gives a fairly complete and up to-date review of the field. It is hoped that the reduced price of this paperback edition will make it accessible to a wide range of scientists and students in the fields to which it is relevant: theoretical phYSics and physical chemistry , con densed-matter physics and materials science, computational physics and applied mathematics, etc.
Download or read book Annual Review of Physical Chemistry written by and published by . This book was released on 1950 with total page 644 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Molecular Dynamics Study of Model Systems Showing Dynamic Heterogeneity written by Xinyi Wang and published by . This book was released on 2021 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
