- Author : Ajit K. Roy
- Publisher : Unknown
- Release Date : 2021
- Genre: Materials science
- Pages : 281
- ISBN 10 : OCLC:1287279992
Hybrid Atomic level Interface Design for Materials Functionality Excerpt :
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
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.
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.
Any notion that surface science is all about semiconductors and coatings is laid to rest by this encyclopedic publication: Bioengineered interfaces in medicine, interstellar dust, DNA computation, conducting polymers, the surfaces of atomic nuclei - all are brought up to date. Frontiers in Surface and Interface Science - a milestone publication deserving a wide readership. It combines a sweeping expert survey of research today with an educated look into the future. It is a future that embraces surface phenomena on scales from the subatomic to the galactic, as well as traditional topics like semiconductor design, catalysis, and surface processing, modeling and characterization. And, great efforts have been made to express sophisticated ideas in an attractive and accessible way. Nanotechnology, surfaces for DNA computation, polymer-based electronics, soft surfaces, interstellar surface chemistry - all feature in this comprehensive collection.
Over the past few decades, several approaches have been developed for designing nano-structured or molecularly-structured materials. These advances have revolutionized practically all fields of science and engineering, providing an additional design variable, the feature size of the nano-structures, which can be tailored to provide new materials with very special characteristics. Nanomaterials: Design and Simulation explores the role that such advances have made toward a rational design of nanostructures and covers a variety of methods from ab initio electronic structure techniques, ab initio molecular dynamics, to classical molecular dynamics, also being complemented by coarse-graining and continuum methods. Also included is an overview of how the development of these computational tools has enabled the possibility of exploring nanoscopic details and using such information for the prediction of physical and chemical properties that are not always possible to be obtained experimentally. * Provides an overview of approaches that have been developed for designing nano-structured or molecularly-structured materials. * This volume covers several aspects of the simulation and design of nanomaterials analyzed by a selected group of active researchers in the field. * Looks at how the advancement of computational tools have enabled nanoscopic prediction of physical and chemical properties
Density Functional Theory (DFT) is a powerful technique for calculating and comprehending the molecular and electrical structure of atoms, molecules, clusters, and solids. Its use is based not only on the capacity to calculate the molecular characteristics of the species of interest but also on the provision of interesting concepts that aid in a better understanding of the chemical reactivity of the systems under study. This book presents examples of recent advances, new perspectives, and applications of DFT for the understanding of chemical reactivity through descriptors forming the basis of Conceptual DFT as well as the application of the theory and its related computational procedures in the determination of the molecular properties of different systems of academic, social, and industrial interest.
Biomimetics, in general terms, aims at understanding biological principles and applying them for the development of man-made tools and technologies. This approach is particularly important for the purposeful design of passive as well as functional biomaterials that mimic physicochemical, mechanical and biological properties of natural materials, making them suitable, for example, for biomedical devices or as scaffolds for tissue regeneration. The book comprehensively covers biomimetic approaches to the development of biomaterials, including: an overview of naturally occurring or nature inspired biomaterials; an in-depth treatment of the surface aspects pivotal for the functionality; synthesis and self-assembly methods to prepare devices to be used in mineralized tissues such as bone and teeth; and preparation of biomaterials for the controlled/ sustained release of bioactive agents. The last part reviews the applications of bioinspired materials and principles of design in regenerative medicine such as in-situ grown bone or cartilage as well as the biomimetic techniques for soft tissue engineering. The comprehensive scope of this book makes it a must-have addition to the bookshelf of everyone in the fields of Materials Science/Engineering, Nanotechnologies / Nanosciences, Medical Sciences, Biochemistry, Polymer Chemistry, and Biomedical Engineering.