Towards Ab-Initio Simulations of Crystalline Defects at the Exascale Using Spectral Quadrature Density Functional Theory
Defects in crystalline solids play a crucial role in determining properties of materials at the nano, meso- and macroscales, such as the coalescence of vacancies at the nanoscale to form voids and prismatic dislocation loops or diffusion and segregation of solutes to nucleate precipitates, phase tra...
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| Format: | Article |
| Language: | English |
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MDPI AG
2022-08-01
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| Series: | Applied Mechanics |
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| Online Access: | https://www.mdpi.com/2673-3161/3/3/61 |