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Energy Landscapes of Nanoscale Systems

Energy Landscapes of Nanoscale Systems
Author: David J. Wales
Publisher: Elsevier
Total Pages: 368
Release: 2022-06-08
Genre: Technology & Engineering
ISBN: 0323852858
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Energy Landscapes of Nanoscale Systems provides a snapshot of the state-of-the-art in energy landscapes theory and applications. The book's chapters reflect diversity and knowledge transfer that is a key strength of the energy landscape approach. To reflect the breadth of this field, contributions include applications for clusters, biomolecules, crystal structure prediction and glassy materials. Chapters highlighting new methodologies, especially enhanced sampling techniques are included. In particular, the development and application of global optimization for structure prediction, methods for treating broken ergodicity on multifunnel landscapes, and treatment of rare event dynamics that reflect the state-of-the-art are featured. This book is an important reference source for materials scientists and energy engineers who want to understand more about how nanotechnology applies to the energy landscape approach. This volume is dedicated to Prof. Roy L. Johnston, who was formerly Co-Editor of the Frontiers of Nanoscience series, and who passed away in 2019. Outlines applications and advances in theory and simulation of energy systems at the nanoscale Explores how the energy landscapes approach is being applied to nanoscale materials Assesses major challenges in applying nanomaterials for energy applications on an industrial scale

Energy Landscapes

Energy Landscapes
Author: David Wales
Publisher: Cambridge University Press
Total Pages: 696
Release: 2003
Genre: Science
ISBN: 9780521814157
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A self-contained account of energy landscape theory aimed at graduate students and researchers.

Coupled Mathematical Models for Physical and Biological Nanoscale Systems and Their Applications

Coupled Mathematical Models for Physical and Biological Nanoscale Systems and Their Applications
Author: Luis L. Bonilla
Publisher: Springer
Total Pages: 314
Release: 2018-06-20
Genre: Mathematics
ISBN: 331976599X
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This volume gathers selected contributions from the participants of the Banff International Research Station (BIRS) workshop Coupled Mathematical Models for Physical and Biological Nanoscale Systems and their Applications, who explore various aspects of the analysis, modeling and applications of nanoscale systems, with a particular focus on low dimensional nanostructures and coupled mathematical models for their description. Due to the vastness, novelty and complexity of the interfaces between mathematical modeling and nanoscience and nanotechnology, many important areas in these disciplines remain largely unexplored. In their efforts to move forward, multidisciplinary research communities have come to a clear understanding that, along with experimental techniques, mathematical modeling and analysis have become crucial to the study, development and application of systems at the nanoscale. The conference, held at BIRS in autumn 2016, brought together experts from three different communities working in fields where coupled mathematical models for nanoscale and biosystems are especially relevant: mathematicians, physicists (both theorists and experimentalists), and computational scientists, including those dealing with biological nanostructures. Its objectives: summarize the state-of-the-art; identify and prioritize critical problems of major importance that require solutions; analyze existing methodologies; and explore promising approaches to addressing the challenges identified. The contributions offer up-to-date introductions to a range of topics in nano and biosystems, identify important challenges, assess current methodologies and explore promising approaches. As such, this book will benefit researchers in applied mathematics, as well as physicists and biologists interested in coupled mathematical models and their analysis for physical and biological nanoscale systems that concern applications in biotechnology and medicine, quantum information processing and optoelectronics.

Soft Matter And Biomaterials On The Nanoscale: The Wspc Reference On Functional Nanomaterials - Part I (In 4 Volumes)

Soft Matter And Biomaterials On The Nanoscale: The Wspc Reference On Functional Nanomaterials - Part I (In 4 Volumes)
Author:
Publisher: World Scientific
Total Pages: 1885
Release: 2020-06-24
Genre: Science
ISBN: 9811218072
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This book is indexed in Chemical Abstracts ServiceSoft and bio-nanomaterials offer a tremendously rich behavior due to the diversity and tailorability of their structures. Built from polymers, nanoparticles, small and large molecules, peptoids and other nanoscale building blocks, such materials exhibit exciting functions, either intrinsically or through the engineering of their organization and combination of blocks. Thus, it is not surprising that a variety of challenges, for example, in energy storage, environment protection, advanced manufacturing, purification and healthcare, can be addressed using these materials. The recent advances in understanding the behavior of soft matter and biomaterials are being actively translated into functional materials systems and devices, which take advantages of newly discovered and specifically created morphologies with desired properties. This major reference work presents a detailed overview of recent research developments on fundamental and application-inspired aspects of soft and bio-nanomaterials and their emerging functions, and will be divided into four volumes: Vol 1: Soft Matter under Geometrical Confinement: From Fundamentals at Planar Surfaces and Interfaces to Functionalities of Nanoporous Materials; Vol 2: Polymers on the Nanoscale: Nano-structured Polymers and Their Applications; Vol 3: Bio-Inspired Nanomaterials: Nanomaterials Built from Biomolecules and Using Bio-derived Principles; Vol 4: Nanomedicine: Nanoscale Materials in Nano/Bio Medicine.

Proteins

Proteins
Author: David M. Leitner
Publisher: CRC Press
Total Pages: 450
Release: 2009-09-28
Genre: Science
ISBN: 1420087045
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Computational modeling can provide a wealth of insight into how energy flow in proteins mediates protein function. Computational methods can also address fundamental questions related to molecular signaling and energy flow in proteins. Proteins: Energy, Heat and Signal Flow presents state-of-the-art computational strategies for studying energy redi

Energy Systems and Nanotechnology

Energy Systems and Nanotechnology
Author: Dharmendra Tripathi
Publisher: Springer Nature
Total Pages: 384
Release: 2021-05-27
Genre: Technology & Engineering
ISBN: 9811612560
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This book presents a very useful and readable collection of chapters in nanotechnologies for energy conversion, storage, and utilization, offering new results which are sure to be of interest to researchers, students, and engineers in the field of nanotechnologies and energy. Readers will find energy systems and nanotechnology very useful in many ways such as generation of energy policy, waste management, nanofluid preparation and numerical modelling, energy storage, and many other energy-related areas. It is also useful as reference book for many energy and nanofluid-related courses being taken up by graduate and undergraduate students. In particular, this book provides insights into various forms of renewable energy, such as biogas, solar energy, photovoltaic, solar cells, and solar thermal energy storage. Also, it deals with the CFD simulations of various aspects of nanofluids/hybrid nanofluids.

Nano and Cell Mechanics

Nano and Cell Mechanics
Author: Horacio D. Espinosa
Publisher: John Wiley & Sons
Total Pages: 519
Release: 2012-12-12
Genre: Technology & Engineering
ISBN: 111848259X
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Research in nano and cell mechanics has received much attention from the scientific community as a result of society needs and government initiatives to accelerate developments in materials, manufacturing, electronics, medicine and healthcare, energy, and the environment. Engineers and scientists are currently engaging in increasingly complex scientific problems that require interdisciplinary approaches. In this regard, studies in this field draw from fundamentals in atomistic scale phenomena, biology, statistical and continuum mechanics, and multiscale modeling and experimentation. As a result, contributions in these areas are spread over a large number of specialized journals, which prompted the Editors to assemble this book. Nano and Cell Mechanics: Fundamentals and Frontiers brings together many of the new developments in the field for the first time, and covers fundamentals and frontiers in mechanics to accelerate developments in nano- and bio-technologies. Key features: • Provides an overview of recent advances in nano and cell mechanics. • Covers experimental, analytical, and computational tools used to investigate biological and nanoscale phenomena. • Covers fundamentals and frontiers in mechanics to accelerate developments in nano- and bio-technologies. • Presents multiscale-multiphysics modeling and experimentation techniques. • Examines applications in materials, manufacturing, electronics, medicine and healthcare. Nano and Cell Mechanics: Fundamentals and Frontiers is written by internationally recognized experts in theoretical and applied mechanics, applied physics, chemistry, and biology. It is an invaluable reference for graduate students of nano- and bio-technologies, researchers in academia and industry who are working in nano and cell mechanics, and practitioners who are interested in learning about the latest analysis tools. The book can also serve as a text for graduate courses in theoretical and applied mechanics, mechanical engineering, materials science, and applied physics.

Computational Modelling of Nanoparticles

Computational Modelling of Nanoparticles
Author: Stefan T. Bromley
Publisher: Elsevier
Total Pages: 351
Release: 2018-09-12
Genre: Science
ISBN: 0081022751
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Computational Modelling of Nanoparticles highlights recent advances in the power and versatility of computational modelling, experimental techniques, and how new progress has opened the door to a more detailed and comprehensive understanding of the world of nanomaterials. Nanoparticles, having dimensions of 100 nanometers or less, are increasingly being used in applications in medicine, materials and manufacturing, and energy. Spanning the smallest sub-nanometer nanoclusters to nanocrystals with diameters of 10s of nanometers, this book provides a state-of-the-art overview on how computational modelling can provide, often otherwise unobtainable, insights into nanoparticulate structure and properties. This comprehensive, single resource is ideal for researchers who want to start/improve their nanoparticle modelling efforts, learn what can be (and what cannot) achieved with computational modelling, and understand more clearly the value and details of computational modelling efforts in their area of research. Explores how computational modelling can be successfully applied at the nanoscale level Includes techniques for the computation modelling of different types of nanoclusters, including nanoalloy clusters, fullerines and Ligated and/or solvated nanoclusters Offers complete coverage of the use of computational modelling at the nanoscale, from characterization and processing, to applications

Nanoscale Thermodynamics

Nanoscale Thermodynamics
Author: Signe Kjelstrup
Publisher: MDPI
Total Pages: 168
Release: 2021-09-01
Genre: Science
ISBN: 3036511687
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This Special Issue concerns the development of a theory for energy conversion on the nanoscale, namely, nanothermodynamics. The theory has been applied to porous media, small surfaces, clusters or fluids under confinement. The number of unsolved issues in these contexts is numerous and the present efforts are only painting part of the broader picture. We attempt to answer the following: How far down in scale does the Gibbs equation apply? Which theory can replace it beyond the thermodynamic limit? It is well known that confinement changes the equation of state of a fluid, but how does confinement change the equilibrium conditions themselves? This Special Issue explores some of the roads that were opened up for us by Hill with the idea of nanothermodynamics. The experimental progress in nanotechnology is advancing rapidly. It is our ambition with this book to inspire an increased effort in the development of suitable theoretical tools and methods to help further progress in nanoscience. All ten contributions to this Special Issue can be seen as efforts to support, enhance and validate the theoretical foundation of Hill.

Advances in High Performance Computing

Advances in High Performance Computing
Author: Ivan Dimov
Publisher: Springer Nature
Total Pages: 464
Release: 2020-08-07
Genre: Technology & Engineering
ISBN: 3030553477
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Every day we need to solve large problems for which supercomputers are needed. High performance computing (HPC) is a paradigm that allows to efficiently implement large-scale computational tasks on powerful supercomputers unthinkable without optimization. We try to minimize our effort and to maximize the achieved profit. Many challenging real world problems arising in engineering, economics, medicine and other areas can be formulated as large-scale computational tasks. The volume is a comprehensive collection of extended contributions from the High performance computing conference held in Borovets, Bulgaria, September 2019. This book presents recent advances in high performance computing. The topics of interest included into this volume are: HP software tools, Parallel Algorithms and Scalability, HPC in Big Data analytics, Modelling, Simulation & Optimization in a Data Rich Environment, Advanced numerical methods for HPC, Hybrid parallel or distributed algorithms. The volume is focused on important large-scale applications like Environmental and Climate Modeling, Computational Chemistry and Heuristic Algorithms.