Molecular Simulation on Cementitious Materials: From Computational Chemistry Method to Application PDF Download
Are you looking for read ebook online? Search for your book and save it on your Kindle device, PC, phones or tablets. Download Molecular Simulation on Cementitious Materials: From Computational Chemistry Method to Application PDF full book. Access full book title Molecular Simulation on Cementitious Materials: From Computational Chemistry Method to Application by Dongshuai Hou. Download full books in PDF and EPUB format.
Author: Dongshuai Hou
Publisher: Frontiers Media SA
ISBN: 2889743020
Category : Technology & Engineering
Languages : en
Pages : 148
Get Book Here
Book Description
Author: Dongshuai Hou
Publisher: Frontiers Media SA
ISBN: 2889743020
Category : Technology & Engineering
Languages : en
Pages : 148
Get Book Here
Book Description
Author: Dongshuai Hou
Publisher: Springer Nature
ISBN: 9811387117
Category : Technology & Engineering
Languages : en
Pages : 205
Get Book Here
Book Description
This book presents a number of studies on the molecular dynamics of cement-based materials. It introduces a practical molecular model of cement-hydrate, delineates the relationship between molecular structure and nanoscale properties, reveals the transport mechanism of cement-hydrate, and provides useful methods for material design. Based on the molecular model presented here, the book subsequently sheds light on nanotechnology applications in the design of construction and building materials. As such, it offers a valuable asset for researchers, scientists, and engineers in the field of construction and building materials.
Author: Lik-ho Tam
Publisher: Springer Nature
ISBN: 9819739012
Category : Carbon composites
Languages : en
Pages : 168
Get Book Here
Book Description
This book is written by a group of researchers based on the recent research progress in the fiber/matrix interface degradation under various environmental exposures via molecular dynamics simulation. It provides systematic framework of the model development, simulation techniques, and simulation results and presents the future research directions for investigating the interfacial degradation. By introducing the molecular details of fiber/matrix interface under environmental effects, it advances the fundamental understanding of the interfacial degradation mechanism. Researchers, scientists and engineers in the field of civil engineering and composite materials can benefit from the book. In conclusion, this book provides a computational paradigm and valuable insights on the fundamental interfacial degradation mechanism, which can contribute to the prediction of long-term behavior of fiber-reinforced polymer composites in harsh environments and pave the way for the material design with stronger interface.
Author: Mohd Shahir Liew
Publisher: Elsevier
ISBN: 0128178558
Category : Technology & Engineering
Languages : en
Pages : 726
Get Book Here
Book Description
Smart Nanoconcretes and Cement-Based Materials: Properties, Modelling and Applications explores the fundamental concepts and applications of smart nanoconcretes with self-healing, self-cleaning, photocatalytic, antibacterial, piezoelectrical, heating and conducting properties and how they are used in modern high-rise buildings, hydraulic engineering, highways, tunnels and bridges. This book is an important reference source for materials scientists and civil engineers who are looking to enhance the properties of smart nanomaterials to create stronger, more durable concrete. - Explores the mechanisms through which active agents are released from nanocontainers inside concrete - Shows how embedded smart nanosensors, including carbon cement-based smart sensors and micro/nano strain-sensors, are used to increase concrete performance - Discusses the major challenges of integrating smart nanomaterials into concrete composites
Author: L.A. Curtiss
Publisher: Springer Science & Business Media
ISBN: 1402021178
Category : Technology & Engineering
Languages : en
Pages : 381
Get Book Here
Book Description
As a result of the advancements in algorithms and the huge increase in speed of computers over the past decade, electronic structure calculations have evolved into a valuable tool for characterizing surface species and for elucidating the pathways for their formation and reactivity. It is also now possible to calculate, including electric field effects, STM images for surface structures. To date the calculation of such images has been dominated by density functional methods, primarily because the computational cost of - curate wave-function based calculations using either realistic cluster or slab models would be prohibitive. DFT calculations have proven especially valuable for elucidating chemical processes on silicon and other semiconductor surfaces. However, it is also clear that some of the systems to which DFT methods have been applied have large non-dynamical correlation effects, which may not be properly handled by the current generation of Kohn-Sham-based density functionals. For example, our CASSCF calculations on the Si(001)/acetylene system reveal that at some geometries there is extensive 86 configuration mixing. This, in turn, could signal problems for DFT cal- lations on these systems. Some of these problem systems can be addressed using ONIOM or other “layering” methods, treating the primary region of interest with a CASMP2 or other multireference-based method, and treating the secondary region by a lower level of electronic structure theory or by use of a molecular mechanics method. ACKNOWLEDGEMENTS We wish to thank H. Jónsson, C. Sosa, D. Sorescu, P. Nachtigall, and T. -C.
Author: Ajit D. Kelkar
Publisher: CRC Press
ISBN: 1482231204
Category : Science
Languages : en
Pages : 322
Get Book Here
Book Description
Reflecting the breadth of the field from research to manufacturing, Nanoscience and Nanoengineering: Advances and Applications delivers an in-depth survey of emerging, high-impact nanotechnologies. Written by a multidisciplinary team of scientists and engineers and edited by prestigious faculty of the Joint School of Nanoscience and Nanoengineering
Author: Daniel C.W. Tsang
Publisher: Elsevier
ISBN: 0128242523
Category : Science
Languages : en
Pages : 592
Get Book Here
Book Description
Low Carbon Stabilization and Solidification of Hazardous Wastes details sustainable and low-carbon treatments for addressing environmental pollution problems, critically reviewing low-carbon stabilization/solidification technologies. This book presents the latest state-of-the-art knowledge of low-carbon stabilization/solidification technologies to provide cost-effective sustainable solutions for real-life environmental problems related to hazardous wastes including contaminated sediments. As stabilization/solidification is one of the most widely used waste remediation methods for its versatility, fast implementation and final treatment of hazardous waste treatment, it is imperative that those working in this field follow the most recent developments. Low Carbon Stabilization and Solidification of Hazardous Wastes is a necessary read for academics, postgraduates, researchers and engineers in the field of environmental science and engineering, waste management, and soil science, who need to keep up to date with the most recent advances in low-carbon technologies. This audience will develop a better understanding of these low-carbon mechanisms and advanced characterization technologies, fostering the future development of low-carbon technologies and the actualization of green and sustainable remediation. - Focuses on stabilization/solidification for environmental remediation, as one of the most widely used environmental remediation technologies in field-scale applications - Details the most advanced and up-to-date low-carbon sustainable technologies necessary to guide future research and sustainable development - Provides comprehensive coverage of low-carbon solutions for treating a variety of hazardous wastes as well as contaminated soil and sediment
Author: Jia Fu
Publisher: BoD – Books on Demand
ISBN: 1838802010
Category : Computers
Languages : en
Pages : 180
Get Book Here
Book Description
Multiscale simulations of atomistic/continuum coupling in computational materials science, where the scale expands from macro-/micro- to nanoscale, has become a hot research topic. These small units, usually nanostructures, are commonly anisotropic. The development of molecular modeling tools to describe and predict the mechanical properties of structures reveals an undeniable practical importance. Typical anisotropic structures (e.g. cubic, hexagonal, monoclinic) using DFT, MD, and atomic finite element methods are especially interesting, according to the modeling requirement of upscaling structures. It therefore connects nanoscale modeling and continuous patterns of deformation behavior by identifying relevant parameters from smaller to larger scales. These methodologies have the prospect of significant applications. I would like to recommend this book to both beginners and experienced researchers.
Author: Srinivasan Gopalakrishnan
Publisher: Springer
ISBN: 9811071705
Category : Science
Languages : en
Pages : 477
Get Book Here
Book Description
This book primarily focuses on methodologies to enable marine structures to resist high velocity impact loadings. It is based on invited talks presented at the recent India–USA workshop on “Recent Advances in Blast Mitigation Strategies in Civil and Marine Composite Structures” The book comprises content from top researchers from India and the USA and covers various aspects of the topic, including modeling and simulation, design aspects, experimentation and various challenges. These failure modes significantly reduce the structural integrity of the marine structures unless they are designed to resist such harsh loadings. Understanding the mechanics of these structures under harsh loadings is still an open area of research, and the behavior of these structures is not fully understood. The book highlights efforts to reduce the effects of blast loadings on marine composite structures. Intended for researchers/scientists and practicing engineers, the book focuses not only the design and analysis challenges of marine composite structures under such harsh loading conditions, but also provides new design guidelines.
Author: Nenad Bicanic
Publisher: CRC Press
ISBN: 131576203X
Category : Technology & Engineering
Languages : en
Pages : 1102
Get Book Here
Book Description
The EURO-C conference series (Split 1984, Zell am See 1990, Innsbruck 1994, Badgastein 1998, St Johann im Pongau 2003, Mayrhofen 2006, Schladming 2010, St Anton am Alberg 2014) brings together researchers and practising engineers concerned with theoretical, algorithmic and validation aspects associated with computational simulations of concrete and
