Atomistic Simulation of Anistropic Crystal Structures at Nanoscale

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 des...

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स्वरूप: Online
भाषा:अंग्रेज़ी
प्रकाशित: IntechOpen 2023
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ऑनलाइन पहुंच:ONIX_20231201_9781838802028_1642
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collection Directory of Open Access Books
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.
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spelling doab-20.500.12854ir-1305332024-04-04T14:41:21Z Atomistic Simulation of Anistropic Crystal Structures at Nanoscale Fu, Jia Applied mathematics thema EDItEUR::P Mathematics and Science::PB Mathematics::PBW Applied mathematics::PBWH Mathematical modelling 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. 2023-12-01T17:46:43Z 2023-12-01T17:46:43Z 2019 book ONIX_20231201_9781838802028_1642 9781838802028 9781838802011 9781838806484 https://directory.doabooks.org/handle/20.500.12854/130533 eng image/jpeg Attribution-NonCommercial 4.0 International https://www.intechopen.com/books/9371 https://mts.intechopen.com/storage/books/9371/authors_book/authors_book.pdf IntechOpen IntechOpen 10.5772/intechopen.84596 10.5772/intechopen.84596 78a36484-2c0c-47cb-ad67-2b9f5cd4a8f6 9781838802028 9781838802011 9781838806484 IntechOpen 178 open access
spellingShingle Applied mathematics
thema EDItEUR::P Mathematics and Science::PB Mathematics::PBW Applied mathematics::PBWH Mathematical modelling
Atomistic Simulation of Anistropic Crystal Structures at Nanoscale
title Atomistic Simulation of Anistropic Crystal Structures at Nanoscale
title_full Atomistic Simulation of Anistropic Crystal Structures at Nanoscale
title_fullStr Atomistic Simulation of Anistropic Crystal Structures at Nanoscale
title_full_unstemmed Atomistic Simulation of Anistropic Crystal Structures at Nanoscale
title_short Atomistic Simulation of Anistropic Crystal Structures at Nanoscale
title_sort atomistic simulation of anistropic crystal structures at nanoscale
topic Applied mathematics
thema EDItEUR::P Mathematics and Science::PB Mathematics::PBW Applied mathematics::PBWH Mathematical modelling
topic_facet Applied mathematics
thema EDItEUR::P Mathematics and Science::PB Mathematics::PBW Applied mathematics::PBWH Mathematical modelling
url ONIX_20231201_9781838802028_1642