Hybrid Atomic-Scale Interface Design for Materials Functionality

Hybrid Atomic-Scale Interface Design for Materials Functionality PDF Author: Ajit K. Roy
Publisher: Elsevier
ISBN: 012819118X
Category : Technology & Engineering
Languages : en
Pages : 281

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Book Description
Hybrid Atomic-Scale Interface Design for Materials Functionality covers a broad range of atomistic, meso and macro scale computational methodologies, including multiphase (hybrid) materials constructs for tailoring structural, thermal and electrical properties. As future materials are expected to perform with increasing efficiency in complex and dynamic environments hybrid materials design, in contrast to monolithic concepts, they are a cost-effective alternative. Taking materials hybridization at smaller scale, even at atomic scale, offers exceedingly high-payoff opportunities for optimizing materials functionality at reduced material consumption and even reduced qualification costs (eliminates many costly component and system level qualification tests). - Presents computational methodologies for materials hybridization and interface design at the atomic scale - Covers materials interface design (atomic configuration), a key component to optimize and achieve performance metrics - Helps readers with material selectivity and in the materials design phase of any product design

Hybrid Atomic-Scale Interface Design for Materials Functionality

Hybrid Atomic-Scale Interface Design for Materials Functionality PDF Author: Ajit K. Roy
Publisher: Elsevier
ISBN: 012819118X
Category : Technology & Engineering
Languages : en
Pages : 281

Get Book Here

Book Description
Hybrid Atomic-Scale Interface Design for Materials Functionality covers a broad range of atomistic, meso and macro scale computational methodologies, including multiphase (hybrid) materials constructs for tailoring structural, thermal and electrical properties. As future materials are expected to perform with increasing efficiency in complex and dynamic environments hybrid materials design, in contrast to monolithic concepts, they are a cost-effective alternative. Taking materials hybridization at smaller scale, even at atomic scale, offers exceedingly high-payoff opportunities for optimizing materials functionality at reduced material consumption and even reduced qualification costs (eliminates many costly component and system level qualification tests). - Presents computational methodologies for materials hybridization and interface design at the atomic scale - Covers materials interface design (atomic configuration), a key component to optimize and achieve performance metrics - Helps readers with material selectivity and in the materials design phase of any product design

Functional Biomaterials

Functional Biomaterials PDF Author: Sougata Jana
Publisher: Springer Nature
ISBN: 9811671524
Category : Science
Languages : en
Pages : 524

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Book Description
This book explores in depth a wide range of functional biomaterials-based systems for drug, gene delivery, and biomedical aspects. The chapters cover newer technologies such as polymeric micelle, pH-responsive biomaterials, stimuli-responsive hydrogels, silk fibroin, inorganic biomaterials, synthetic biomaterials, 3D printed biomaterials, metallic biomaterials, ceramic and hybrid biomaterials. It also describes the theranostic approaches for cancer therapy, the biomaterials-based nanofibers scaffolds in tissue engineering, as well as the strategies applications of metallic biomaterials for the medical and dental prosthetic field. This newer and updated approach will be attractive for biomedical engineering students working on materials science in the development of novel drug delivery strategies. The book will be an important reference for researchers and professionals working on biomaterial research in the pharmaceutical and medical fields.

Nanosponges

Nanosponges PDF Author: Francesco Trotta
Publisher: John Wiley & Sons
ISBN: 3527341013
Category : Technology & Engineering
Languages : en
Pages : 402

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Book Description
An excellent overview of the field, covering in detail a wide range of different types of constituent materials, such as polymers, metals and metal oxides. It discusses their production and synthetic routes, as well as applications in several areas, including catalysis, drug delivery and environmental science. A must-have for scientists in academia and industry, as well as a valuable resource for both newcomers and more established researchers working in the field.

New and Future Developments in Catalysis

New and Future Developments in Catalysis PDF Author: Kajornsak Faungnawakij
Publisher: Elsevier Inc. Chapters
ISBN: 0128081732
Category : Science
Languages : en
Pages : 44

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Book Description


Springer Handbook of Wood Science and Technology

Springer Handbook of Wood Science and Technology PDF Author: Peter Niemz
Publisher: Springer Nature
ISBN: 3030813150
Category : Technology & Engineering
Languages : en
Pages : 2064

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Book Description
This handbook provides an overview on wood science and technology of unparalleled comprehensiveness and international validity. It describes the fundamental wood biology, chemistry and physics, as well as structure-property relations of wood and wood-based materials. The different aspects and steps of wood processing are presented in detail from both a fundamental technological perspective and their realisation in industrial contexts. The discussed industrial processes extend beyond sawmilling and the manufacturing of adhesively bonded wood products to the processing of the various wood-based materials, including pulp and paper, natural fibre materials and aspects of bio-refinery. Core concepts of wood applications, quality and life cycle assessment of this important natural resource are presented. The book concludes with a useful compilation of fundamental material parameters and data as well as a glossary of terms in accordance with the most important industry standards. Written and edited by a truly international team of experts from academia, research institutes and industry, thoroughly reviewed by external colleagues, this handbook is well-attuned to educational demands, as well as providing a summary of state-of-the-art research trends and industrial requirements. It is an invaluable resource for all professionals in research and development, and engineers in practise in the field of wood science and technology.

New and Future Developments in Catalysis

New and Future Developments in Catalysis PDF Author: Steven L Suib
Publisher: Newnes
ISBN: 0444538771
Category : Technology & Engineering
Languages : en
Pages : 479

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Book Description
New and Future Developments in Catalysis is a package of seven books that compile the latest ideas concerning alternate and renewable energy sources and the role that catalysis plays in converting new renewable feedstock into biofuels and biochemicals. Both homogeneous and heterogeneous catalysts and catalytic processes will be discussed in a unified and comprehensive approach. There will be extensive cross-referencing within all volumes.This volume covers the synthesis of hybrid materials and composites using organocatalysts. All available catalytic processes are listed and a critical comparison is made between homogeneous versus heterogeneous catalytic processes. The economic pros and cons of the various processes are also discussed and recommendations are made for future research needs. - Offers in-depth coverage of all catalytic topics of current interest and outlines future challenges and research areas - A clear and visual description of all parameters and conditions, enabling the reader to draw conclusions for a particular case - Outlines the catalytic processes applicable to energy generation and design of green processes

Functional materials with Charge Transfer Properties and Their Application in Photoelectric Devices

Functional materials with Charge Transfer Properties and Their Application in Photoelectric Devices PDF Author: Meng Zheng
Publisher: Frontiers Media SA
ISBN: 283250986X
Category : Science
Languages : en
Pages : 138

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Book Description


Computer-aided Design of High-temperature Materials

Computer-aided Design of High-temperature Materials PDF Author: Alexander Pechenik
Publisher: Topics in Physical Chemistry
ISBN: 0195120507
Category : Computers
Languages : en
Pages : 540

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Book Description
High-temperature materials is a fast-moving research area with numerous practical applications. Materials that can withstand extremely high temperatures and extreme environments are generating considerable attention worldwide; however, designing materials that have low densities, elevated melting temperatures, oxidation resistance, creep resistance, and intrinsic toughness encompass some of the most challenging problems in materials science. The current search for high-temperature materials is largely based on traditional, trial-and-error experimental methods which are costly and time-consuming. An effective way to accelerate research in this field is to use recent advances in materials simulations and high performance computing and communications (HPCC) to guide experiments. This synergy between experiment and advanced materials modeling will significantly enhance the synthesis of novel high-temperature materials. This volume collects recent work from experimental and computational scientists on high-temperature materials and emphasizes the potential for collaboration. It features state-of-the-art materials modeling and recent experimental developments in high-temperature materials. Topics include fundamental phenomena and properties; measurements and modeling of interfacial phenomena, stresses, growth of defects, strain, and fracture; and electronic structure and molecular dynamics.

Recent Advances in Complex Functional Materials

Recent Advances in Complex Functional Materials PDF Author: Elson Longo
Publisher: Springer
ISBN: 3319538985
Category : Technology & Engineering
Languages : en
Pages : 450

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Book Description
In this book we explore new approaches to understanding the physical and chemical properties of emergent complex functional materials, revealing a close relationship between their structures and properties at the molecular level. The primary focus of this book is on the ability to synthesize materials with a controlled chemical composition, a crystallographic structure, and a well-defined morphology. Special attention is also given to the interplay of theory, simulation and experimental results, in order to interconnect theoretical knowledge and experimental approaches, which can reveal new scientific and technological directions in several fields, expanding the versatility to yield a variety of new complex materials with desirable applications and functions. Some of the challenges and opportunities in this field are also discussed, targeting the development of new emergent complex functional materials with tailored properties to solve problems related to renewable energy, health, and environmental sustainability. A more fundamental understanding of the physical and chemical properties of new emergent complex functional materials is essential to achieving more substantial progress in a number of technological fields. With this goal in mind, the editors invited acknowledged specialists to contribute chapters covering a broad range of disciplines.

Atomic-Scale Modelling of Electrochemical Systems

Atomic-Scale Modelling of Electrochemical Systems PDF Author: Marko M. Melander
Publisher: John Wiley & Sons
ISBN: 1119605636
Category : Science
Languages : en
Pages : 372

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Book Description
Atomic-Scale Modelling of Electrochemical Systems A comprehensive overview of atomistic computational electrochemistry, discussing methods, implementation, and state-of-the-art applications in the field The first book to review state-of-the-art computational and theoretical methods for modelling, understanding, and predicting the properties of electrochemical interfaces. This book presents a detailed description of the current methods, their background, limitations, and use for addressing the electrochemical interface and reactions. It also highlights several applications in electrocatalysis and electrochemistry. Atomic-Scale Modelling of Electrochemical Systems discusses different ways of including the electrode potential in the computational setup and fixed potential calculations within the framework of grand canonical density functional theory. It examines classical and quantum mechanical models for the solid-liquid interface and formation of an electrochemical double-layer using molecular dynamics and/or continuum descriptions. A thermodynamic description of the interface and reactions taking place at the interface as a function of the electrode potential is provided, as are novel ways to describe rates of heterogeneous electron transfer, proton-coupled electron transfer, and other electrocatalytic reactions. The book also covers multiscale modelling, where atomic level information is used for predicting experimental observables to enable direct comparison with experiments, to rationalize experimental results, and to predict the following electrochemical performance. Uniquely explains how to understand, predict, and optimize the properties and reactivity of electrochemical interfaces starting from the atomic scale Uses an engaging “tutorial style” presentation, highlighting a solid physicochemical background, computational implementation, and applications for different methods, including merits and limitations Bridges the gap between experimental electrochemistry and computational atomistic modelling Written by a team of experts within the field of computational electrochemistry and the wider computational condensed matter community, this book serves as an introduction to the subject for readers entering the field of atom-level electrochemical modeling, while also serving as an invaluable reference for advanced practitioners already working in the field.