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Keyword [First-principles calculation and molecular dynamics simulation]
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1. Research On Effect Of Hydrogen In Titanium Crystal By First-Principles Calculation And Molecular Dynamics Simulation
2. First - Principles Calculation And Molecular Dynamics Simulation Of Boron Carbon In Steel
3. Of Cucr Aging Precipitation First-principles Calculation And Molecular Dynamics Simulation,
4. Theoretical Study On The Crystal Structures And Physicochemical Properties Of Novel Two-Dimentional MB7(M=Co,Fe) Materials
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