An introduction to computational nanomechanics and materials
نویسندگان
چکیده
Many arenas of research are rapidly advancing due to a combined effort between engineering and science. In some cases, fields of research that were stagnating under the exclusive domain of one discipline have been imbued with new discoveries through collaboration with practitioners from the second discipline. In computational mechanics, we are particularly concerned about the technological engineering interest by combining engineering technology and basic sciences through modeling and simulations. These goals have become particularly relevant due to the emergence of the field of nanotechnology, and the related burst of interest in nanoscale research. In this introductory article, we first briefly review the essential tools used by nanoscale researchers. These simulation methods include the broad areas of quantum mechanics, molecular dynamics and multiple-scale approaches, based on coupling the atomistic and continuum models. Upon completing this review, we shall conclusively demonstrate that the atomistic simulation tools themselves are not sufficient for many of the interesting and fundamental problems that arise in computational mechanics, and that these deficiencies lead to the thrust of multiple-scale methods. We summarize the strengths and limitations of currently available multiple-scale techniques, where the emphasis is made on the latest perspective approaches, such as the bridging scale method, multi-scale boundary conditions, and multi-scale fluidics. Example problems, in which multiple-scale simulation methods yield equivalent results to full atomistic simulations at fractions of the computational cost, are shown. We conclude by discussing future research directions and needs in multiple-scale analysis, and also discuss the ramifications of the integration of current nanoscale research into education. 2004 Elsevier B.V. All rights reserved.
منابع مشابه
Nanostructured silicon for studying fundamental aspects of nanomechanics
Nanomechanics features three-dimensional nanostructuring, which allows full exploitation of the mechanical degree of freedom on the nanometre scale. In this work a number of exemplifying experiments on nano-electromechanical systems realized in silicon materials will be presented. First an introduction to the underlying mechanics will be given and finite element methods required for simulations...
متن کاملHierarchial Models of Nanomechanics and Micromechanics
An overview of theoretical and computational methods in the rapidly advancing field of Nanomechanics and Micromechanics of materials is given. This overview emphasizes the Multiscale Modelling of Materials (MMM) approach, which relies on a reduction of the degrees of freedom at natural length scales. Two main challenges are identified in the MMM approach: (i) the computational complexity of ful...
متن کاملA review of size-dependent elasticity for nanostructures
Nanotechnology is one of the pillars of human life in the future. This technology is growing fast and many scientists work in this field. The behavior of materials in nano size varies with that in macro dimension. Therefore scientists have presented various theories for examining the behavior of materials in nano-scale. Accordingly, mechanical behavior of nano-plates, nanotubes nano-beams and n...
متن کاملComputational Nano-mechanics and Multi-scale Simulation
This article provides a review of the computational nanomechanics, from the ab initio methods to classical molecular dynamics simulations, and multitemporal and spatial scale simulations. The recent improvements and developments are briefly discussed. Their applications in nanomechanics and nanotubes are also summarized.
متن کاملNanomechanics of functional and pathological amyloid materials.
Amyloid or amyloid-like fibrils represent a general class of nanomaterials that can be formed from many different peptides and proteins. Although these structures have an important role in neurodegenerative disorders, amyloid materials have also been exploited for functional purposes by organisms ranging from bacteria to mammals. Here we review the functional and pathological roles of amyloid m...
متن کامل