Mesoscale Chemistry

Mesoscale Chemistry
Author: National Research Council
Publisher: National Academies Press
Total Pages: 229
Release: 2015-08-06
Genre: Science
ISBN: 030937331X

In the last few decades great strides have been made in chemistry at the nanoscale, where the atomic granularity of matter and the exact positions of individual atoms are key determinants of structure and dynamics. Less attention, however, has been paid to the mesoscale-it is at this scale, in the range extending from large molecules (10 nm) through viruses to eukaryotic cells (10 microns), where interesting ensemble effects and the functionality that is critical to macroscopic phenomenon begins to manifest itself and cannot be described by laws on the scale of atoms and molecules alone. To further explore how knowledge about mesoscale phenomena can impact chemical research and development activities and vice versa, the Chemical Sciences Roundtable of the National Research Council convened a workshop on mesoscale chemistry in November 2014. With a focus on the research on chemical phenomena at the mesoscale, participants examined the opportunities that utilizing those behaviors can have for developing new catalysts, adding new functionality to materials, and increasing our understanding of biological and interfacial systems. The workshop also highlighted some of the challenges for analysis and description of mesoscale structures. This report summarizes the presentations and discussion of the workshop.

From Multiscale Modeling to Meso-Science

From Multiscale Modeling to Meso-Science
Author: Jinghai Li
Publisher: Springer Science & Business Media
Total Pages: 497
Release: 2013-03-22
Genre: Technology & Engineering
ISBN: 3642351891

Multiscale modeling is becoming essential for accurate, rapid simulation in science and engineering. This book presents the results of three decades of research on multiscale modeling in process engineering from principles to application, and its generalization for different fields. This book considers the universality of meso-scale phenomena for the first time, and provides insight into the emerging discipline that unifies them, meso-science, as well as new perspectives for virtual process engineering. Multiscale modeling is applied in areas including: multiphase flow and fluid dynamics chemical, biochemical and process engineering mineral processing and metallurgical engineering energy and resources materials science and engineering Jinghai Li is Vice-President of the Chinese Academy of Sciences (CAS), a professor at the Institute of Process Engineering, CAS, and leader of the EMMS (Energy-minimizing multiscale) Group. Wei Ge, Wei Wang, Ning Yang and Junwu Wang are professors at the EMMS Group, part of the Institute of Process Engineering, CAS. Xinhua Liu, Limin Wang, Xianfeng He and Xiaowei Wang are associate professors at the EMMS Group, part of the Institute of Process Engineering, CAS. Mooson Kwauk is an emeritus director of the Institute of Process Engineering, CAS, and is an advisor to the EMMS Group.

Dislocations, Mesoscale Simulations and Plastic Flow

Dislocations, Mesoscale Simulations and Plastic Flow
Author: Ladislas Kubin
Publisher: OUP Oxford
Total Pages: 320
Release: 2013-04-18
Genre: Science
ISBN: 0191664545

In the past twenty years, new experimental approaches, improved models and progress in simulation techniques brought new insights into long-standing issues concerning dislocation-based plasticity in crystalline materials. During this period, three-dimensional dislocation dynamics simulations appeared and reached maturity. Their objectives are to unravel the relation between individual and collective dislocation processes at the mesoscale, to establish connections with atom-scale studies of dislocation core properties and to bridge, in combination with modelling, the gap between defect properties and phenomenological continuum models for plastic flow. Dislocation dynamics simulations are becoming accessible to a wide range of users. This book presents to students and researchers in materials science and mechanical engineering a comprehensive coverage of the physical body of knowledge on which they are based. It includes classical studies, which are too often ignored, recent experimental and theoretical advances, as well as a discussion of selected applications on various topics.

Chemical Imaging Analysis

Chemical Imaging Analysis
Author: Freddy Adams
Publisher: Elsevier
Total Pages: 493
Release: 2015-06-06
Genre: Science
ISBN: 0444634509

Chemical Imaging Analysis covers the advancements made over the last 50 years in chemical imaging analysis, including different analytical techniques and the ways they were developed and refined to link the composition and structure of manmade and natural materials at the nano/micro scale to the functional behavior at the macroscopic scale. In a development process that started in the early 1960s, a variety of specialized analytical techniques was developed – or adapted from existing techniques – and these techniques have matured into versatile and powerful tools for visualizing structural and compositional heterogeneity. This text explores that journey, providing a general overview of imaging techniques in diverse fields, including mass spectrometry, optical spectrometry including X-rays, electron microscopy, and beam techniques. - Provides comprehensive coverage of analytical techniques used in chemical imaging analysis - Explores a variety of specialized techniques - Provides a general overview of imaging techniques in diverse fields

Computational Fluid and Solid Mechanics 2003

Computational Fluid and Solid Mechanics 2003
Author: K.J Bathe
Publisher: Elsevier
Total Pages: 2485
Release: 2003-06-02
Genre: Technology & Engineering
ISBN: 008052947X

Bringing together the world's leading researchers and practitioners of computational mechanics, these new volumes meet and build on the eight key challenges for research and development in computational mechanics.Researchers have recently identified eight critical research tasks facing the field of computational mechanics. These tasks have come about because it appears possible to reach a new level of mathematical modelling and numerical solution that will lead to a much deeper understanding of nature and to great improvements in engineering design.The eight tasks are: - The automatic solution of mathematical models - Effective numerical schemes for fluid flows - The development of an effective mesh-free numerical solution method - The development of numerical procedures for multiphysics problems - The development of numerical procedures for multiscale problems - The modelling of uncertainties - The analysis of complete life cycles of systems - Education - teaching sound engineering and scientific judgement Readers of Computational Fluid and Solid Mechanics 2003 will be able to apply the combined experience of many of the world's leading researchers to their own research needs. Those in academic environments will gain a better insight into the needs and constraints of the industries they are involved with; those in industry will gain a competitive advantage by gaining insight into the cutting edge research being carried out by colleagues in academia. Features - Bridges the gap between academic researchers and practitioners in industry - Outlines the eight main challenges facing Research and Design in Computational mechanics and offers new insights into the shifting the research agenda - Provides a vision of how strong, basic and exciting education at university can be harmonized with life-long learning to obtain maximum value from the new powerful tools of analysis

Handbook of Nanophysics

Handbook of Nanophysics
Author: Klaus D. Sattler
Publisher: CRC Press
Total Pages: 790
Release: 2010-09-17
Genre: Science
ISBN: 1420075535

Handbook of Nanophysics: Functional Nanomaterials illustrates the importance of tailoring nanomaterials to achieve desired functions in applications. Each peer-reviewed chapter contains a broad-based introduction and enhances understanding of the state-of-the-art scientific content through fundamental equations and illustrations, some in color.This

Multiscale Materials Modelling

Multiscale Materials Modelling
Author: Z. X. Guo
Publisher: Elsevier
Total Pages: 307
Release: 2007-05-31
Genre: Technology & Engineering
ISBN: 184569337X

Multiscale materials modelling offers an integrated approach to modelling material behaviour across a range of scales from the electronic, atomic and microstructural up to the component level. As a result, it provides valuable new insights into complex structures and their properties, opening the way to develop new, multi-functional materials together with improved process and product designs. Multiscale materials modelling summarises some of the key techniques and their applications.The various chapters cover the spectrum of scales in modelling methodologies, including electronic structure calculations, mesoscale and continuum modelling. The book covers such themes as dislocation behaviour and plasticity as well as the modelling of structural materials such as metals, polymers and ceramics. With its distinguished editor and international team of contributors, Multiscale materials modelling is a valuable reference for both the modelling community and those in industry wanting to know more about how multiscale materials modelling can help optimise product and process design. - Reviews the principles and applications of mult-scale materials modelling - Covers themes such as dislocation behaviour and plasticity and the modelling of structural materials - Examines the spectrum of scales in modelling methodologies, including electronic structure calculations, mesoscale and continuum modelling

Introduction to Computational Materials Science

Introduction to Computational Materials Science
Author: Richard LeSar
Publisher: Cambridge University Press
Total Pages: 429
Release: 2013-03-28
Genre: Science
ISBN: 0521845874

Emphasising essential methods and universal principles, this textbook provides everything students need to understand the basics of simulating materials behavior. All the key topics are covered from electronic structure methods to microstructural evolution, appendices provide crucial background material, and a wealth of practical resources are available online to complete the teaching package. Modeling is examined at a broad range of scales, from the atomic to the mesoscale, providing students with a solid foundation for future study and research. Detailed, accessible explanations of the fundamental equations underpinning materials modelling are presented, including a full chapter summarising essential mathematical background. Extensive appendices, including essential background on classical and quantum mechanics, electrostatics, statistical thermodynamics and linear elasticity, provide the background necessary to fully engage with the fundamentals of computational modelling. Exercises, worked examples, computer codes and discussions of practical implementations methods are all provided online giving students the hands-on experience they need.