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The broad use of composite materials and shell structural members with complex geometries in technologies related to various branches of engineering has gained increased attention from scientists and engineers for the development of even more refined approaches and investigation of their mechanical behavior. It is well known that composite materials are able to provide higher values of strength stiffness, and thermal properties, together with conferring reduced weight, which can affect the mechanical behavior of beams, plates, and shells, in terms of static response, vibrations, and buckling loads. At the same time, enhanced structures made of composite materials can feature internal length scales and non-local behaviors, with great sensitivity to different staking sequences, ply orientations, agglomeration of nanoparticles, volume fractions of constituents, and porosity levels, among others. In addition to fiber-reinforced composites and laminates, increased attention has been paid in literature to the study of innovative components such as functionally graded materials (FGMs), carbon nanotubes (CNTs), graphene nanoplatelets, and smart constituents. Some examples of smart applications involve large stroke smart actuators, piezoelectric sensors, shape memory alloys, magnetostrictive and electrostrictive materials, as well as auxetic components and angle-tow laminates. These constituents can be included in the lamination schemes of smart structures to control and monitor the vibrational behavior or the static deflection of several composites. The development of advanced theoretical and computational models for composite materials and structures is a subject of active research and this is explored here for different complex systems, including their static, dynamic, and buckling responses; fracture mechanics at different scales; the adhesion, cohesion, and delamination of materials and interfaces.
While its results normally complement the information obtained by chemical experiments, computer computations can in some cases predict unobserved chemical phenomena Electronic-Structure Computational Methods for Large Systems gives readers a simple description of modern electronic-structure techniques. It shows what techniques are pertinent for particular problems in biotechnology and nanotechnology and provides a balanced treatment of topics that teach strengths and weaknesses, appropriate and inappropriate methods. It’s a book that will enhance the your calculating confidence and improve your ability to predict new effects and solve new problems.
The subject of computational plasticity encapsulates the numerical methods used for the finite element simulation of the behaviour of a wide range of engineering materials considered to be plastic – i.e. those that undergo a permanent change of shape in response to an applied force. Computational Methods for Plasticity: Theory and Applications describes the theory of the associated numerical methods for the simulation of a wide range of plastic engineering materials; from the simplest infinitesimal plasticity theory to more complex damage mechanics and finite strain crystal plasticity models. It is split into three parts - basic concepts, small strains and large strains. Beginning with elementary theory and progressing to advanced, complex theory and computer implementation, it is suitable for use at both introductory and advanced levels. The book: Offers a self-contained text that allows the reader to learn computational plasticity theory and its implementation from one volume. Includes many numerical examples that illustrate the application of the methodologies described. Provides introductory material on related disciplines and procedures such as tensor analysis, continuum mechanics and finite elements for non-linear solid mechanics. Is accompanied by purpose-developed finite element software that illustrates many of the techniques discussed in the text, downloadable from the book’s companion website. This comprehensive text will appeal to postgraduate and graduate students of civil, mechanical, aerospace and materials engineering as well as applied mathematics and courses with computational mechanics components. It will also be of interest to research engineers, scientists and software developers working in the field of computational solid mechanics.
This book covers the essentials of Computational Science and gives tools and techniques to solve materials science problems using molecular dynamics (MD) and first-principles methods. The new edition expands upon the density functional theory (DFT) and how the original DFT has advanced to a more accurate level by GGA+U and hybrid-functional methods. It offers 14 new worked examples in the LAMMPS, Quantum Espresso, VASP and MedeA-VASP programs, including computation of stress-strain behavior of Si-CNT composite, mean-squared displacement (MSD) of ZrO2-Y2O3, band structure and phonon spectra of silicon, and Mo-S battery system. It discusses methods once considered too expensive but that are now cost-effective. New examples also include various post-processed results using VESTA, VMD, VTST, and MedeA.
In the dynamic digital age, the widespread use of computers has transformed engineering and science. A realistic and successful solution of an engineering problem usually begins with an accurate physical model of the problem and a proper understanding of the assumptions employed. With computers and appropriate software we can model and analyze complex physical systems and problems. However, efficient and accurate use of numerical results obtained from computer programs requires considerable background and advanced working knowledge to avoid blunders and the blind acceptance of computer results. This book provides the background and knowledge necessary to avoid these pitfalls, especially the most commonly used numerical methods employed in the solution of physical problems. It offers an in-depth presentation of the numerical methods for scales from nano to macro in nine self-contained chapters with extensive problems and up-to-date references, covering: Trends and new developments in simulation and computation Weighted residuals methods Finite difference methods Finite element methods Finite strip/layer/prism methods Boundary element methods Meshless methods Molecular dynamics Multiphysics problems Multiscale methods
Spectroscopic Methods in Mineralogy and Material Science covers significant advances in the technological aspects and applications of spectroscopic and microscopic techniques used in the Earth and Materials Sciences. The current volume compliments the now classic Volume 18, Spectroscopic Methods in Mineralogy and Geology, which became an essential resource to many scientists and educators for the past two decades. This volume updates techniques covered in Volume 18, and introduces new techniques available for probing the secrets of Earth materials, such as X-ray Raman and Brillouin spectroscopy. Other important topics including Transmission Electron Microscopy (TEM) and Atomic Force Microscopy (AFM) are also covered.
This book pursues optimal design from the perspective of mechanical properties and resistance to failure caused by cracks and fatigue. The book abandons the scale separation hypothesis and takes up phase-field modeling, which is at the cutting edge of research and is of high industrial and practical relevance. Part 1 starts by testing the limits of the homogenization-based approach when the size of the representative volume element is non-negligible compared to the structure. The book then introduces a non-local homogenization scheme to take into account the strain gradient effects. Using a phase field method, Part 2 offers three significant contributions concerning optimal placement of the inclusion phases. Respectively, these contributions take into account fractures in quasi-brittle materials, interface cracks and periodic composites. The topology optimization proposed has significantly increased the fracture resistance of the composites studied.
Separation science plays a critical role in maintaining our standard of living and quality of life. Many industrial processes and general necessities such as chemicals, medicines, clean water, safe food, and energy sources rely on chemical separations. However, the process of chemical separations is often overlooked during product development and this has led to inefficiency, unnecessary waste, and lack of consensus among chemists and engineers. A reevaluation of system design, establishment of standards, and an increased focus on the advancement of separation science are imperative in supporting increased efficiency, continued U.S. manufacturing competitiveness, and public welfare. A Research Agenda for Transforming Separation Science explores developments in the industry since the 1987 National Academies report, Separation and Purification: Critical Needs and Opportunities. Many needs stated in the original report remain today, in addition to a variety of new challenges due to improved detection limits, advances in medicine, and a recent emphasis on sustainability and environmental stewardship. This report examines emerging chemical separation technologies, relevant developments in intersecting disciplines, and gaps in existing research, and provides recommendations for the application of improved separation science technologies and processes. This research serves as a foundation for transforming separation science, which could reduce global energy use, improve human and environmental health, and advance more efficient practices in various industries.