Numerical Modeling of Materials under Extreme Conditions
In this reprint, the underlying damage mechanisms of materials used under extreme conditions are explored using computer simulation and modelling methods, presenting important information to predict the lifetime of related facilities. The scope of this reprint embraces numerical work on material res...
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| Materialtyp: | Online |
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| Språk: | engelska |
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MDPI - Multidisciplinary Digital Publishing Institute
2023
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| Länkar: | ONIX_20230623_9783036575865_139 |
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| _version_ | 1869525974847062016 |
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| collection | Directory of Open Access Books |
| description | In this reprint, the underlying damage mechanisms of materials used under extreme conditions are explored using computer simulation and modelling methods, presenting important information to predict the lifetime of related facilities. The scope of this reprint embraces numerical work on material responses to extreme conditions, such as high-speed impact or loading, neutron or ion irradiation, and high-pressure and/or high-temperature environments. Related simulation results based on the first principle method, molecular dynamics, and finite element methods are reported. Results of various topics have been reported by papers collected in this book, for example, including fitting a better empirical potential, diffusion of atoms on surface, corrosion, interaction between different defects, elastic constants calculations, effect of hot press forming on collision toughness and energy distribution, and influence of radiation defects on the thermo-mechanical properties of UO2. Furthermore, a review about the experiments and models for the effect of strain rate on NiTi shape memory alloys (SMAs) has also been included in this reprint. These new results present new knowledge for understanding the damage mechanisms of materials under extreme conditions, which would be useful not only for researchers in these fields but also for new readers to learn about basic concepts and current research progress to better understand the response of materials under extreme conditions. |
| format | Online |
| id | doab-20.500.12854ir-100907 |
| institution | Directory of Open Access Books |
| language | eng |
| publishDate | 2023 |
| publishDateRange | 2023 |
| publishDateSort | 2023 |
| publisher | MDPI - Multidisciplinary Digital Publishing Institute |
| publisherStr | MDPI - Multidisciplinary Digital Publishing Institute |
| record_format | ojs |
| spelling | doab-20.500.12854ir-1009072024-04-11T15:11:09Z Numerical Modeling of Materials under Extreme Conditions Shen, Yao Gao, Ning uranium molybdenum molecular dynamics interatomic potential Mo-Re alloy Na adsorption and diffusion surface vacancy first-principles calculation clustering diffusivity Na solvent Mo or Re solute ab initio molecular dynamics atomic simulations dislocation loop vacancy defect tungsten FeCrAl elastic properties temperature effect uranium dioxide Frenkel pairs antisites elastic modulus thermal expansion UO2 grain boundary Xe bubble Xe Kr occupation diffusion nucleation ReaxFF corrosion Fe-H2O interface free volume strain effect micro-cracking center pillar side crash simulation patchwork partial softening energy distribution NiTi shape memory alloy strain rate effect thermomechanical n/a thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TB Technology: general issues thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TB Technology: general issues::TBX History of engineering and technology thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TT Other technologies and applied sciences::TTU Mining technology and engineering In this reprint, the underlying damage mechanisms of materials used under extreme conditions are explored using computer simulation and modelling methods, presenting important information to predict the lifetime of related facilities. The scope of this reprint embraces numerical work on material responses to extreme conditions, such as high-speed impact or loading, neutron or ion irradiation, and high-pressure and/or high-temperature environments. Related simulation results based on the first principle method, molecular dynamics, and finite element methods are reported. Results of various topics have been reported by papers collected in this book, for example, including fitting a better empirical potential, diffusion of atoms on surface, corrosion, interaction between different defects, elastic constants calculations, effect of hot press forming on collision toughness and energy distribution, and influence of radiation defects on the thermo-mechanical properties of UO2. Furthermore, a review about the experiments and models for the effect of strain rate on NiTi shape memory alloys (SMAs) has also been included in this reprint. These new results present new knowledge for understanding the damage mechanisms of materials under extreme conditions, which would be useful not only for researchers in these fields but also for new readers to learn about basic concepts and current research progress to better understand the response of materials under extreme conditions. 2023-06-23T09:52:36Z 2023-06-23T09:52:36Z 2023 book ONIX_20230623_9783036575865_139 9783036575865 9783036575872 https://directory.doabooks.org/handle/20.500.12854/100907 eng image/jpeg Attribution 4.0 International https://mdpi.com/books/pdfview/book/7375 https://mdpi.com/books/pdfview/book/7375 MDPI - Multidisciplinary Digital Publishing Institute 10.3390/books978-3-0365-7587-2 10.3390/books978-3-0365-7587-2 46cabcaa-dd94-4bfe-87b4-55023c1b36d0 9783036575865 9783036575872 184 Basel open access |
| spellingShingle | uranium molybdenum molecular dynamics interatomic potential Mo-Re alloy Na adsorption and diffusion surface vacancy first-principles calculation clustering diffusivity Na solvent Mo or Re solute ab initio molecular dynamics atomic simulations dislocation loop vacancy defect tungsten FeCrAl elastic properties temperature effect uranium dioxide Frenkel pairs antisites elastic modulus thermal expansion UO2 grain boundary Xe bubble Xe Kr occupation diffusion nucleation ReaxFF corrosion Fe-H2O interface free volume strain effect micro-cracking center pillar side crash simulation patchwork partial softening energy distribution NiTi shape memory alloy strain rate effect thermomechanical n/a thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TB Technology: general issues thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TB Technology: general issues::TBX History of engineering and technology thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TT Other technologies and applied sciences::TTU Mining technology and engineering Numerical Modeling of Materials under Extreme Conditions |
| title | Numerical Modeling of Materials under Extreme Conditions |
| title_full | Numerical Modeling of Materials under Extreme Conditions |
| title_fullStr | Numerical Modeling of Materials under Extreme Conditions |
| title_full_unstemmed | Numerical Modeling of Materials under Extreme Conditions |
| title_short | Numerical Modeling of Materials under Extreme Conditions |
| title_sort | numerical modeling of materials under extreme conditions |
| topic | uranium molybdenum molecular dynamics interatomic potential Mo-Re alloy Na adsorption and diffusion surface vacancy first-principles calculation clustering diffusivity Na solvent Mo or Re solute ab initio molecular dynamics atomic simulations dislocation loop vacancy defect tungsten FeCrAl elastic properties temperature effect uranium dioxide Frenkel pairs antisites elastic modulus thermal expansion UO2 grain boundary Xe bubble Xe Kr occupation diffusion nucleation ReaxFF corrosion Fe-H2O interface free volume strain effect micro-cracking center pillar side crash simulation patchwork partial softening energy distribution NiTi shape memory alloy strain rate effect thermomechanical n/a thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TB Technology: general issues thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TB Technology: general issues::TBX History of engineering and technology thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TT Other technologies and applied sciences::TTU Mining technology and engineering |
| topic_facet | uranium molybdenum molecular dynamics interatomic potential Mo-Re alloy Na adsorption and diffusion surface vacancy first-principles calculation clustering diffusivity Na solvent Mo or Re solute ab initio molecular dynamics atomic simulations dislocation loop vacancy defect tungsten FeCrAl elastic properties temperature effect uranium dioxide Frenkel pairs antisites elastic modulus thermal expansion UO2 grain boundary Xe bubble Xe Kr occupation diffusion nucleation ReaxFF corrosion Fe-H2O interface free volume strain effect micro-cracking center pillar side crash simulation patchwork partial softening energy distribution NiTi shape memory alloy strain rate effect thermomechanical n/a thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TB Technology: general issues thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TB Technology: general issues::TBX History of engineering and technology thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TT Other technologies and applied sciences::TTU Mining technology and engineering |
| url | ONIX_20230623_9783036575865_139 |