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Keyword [Ab initio molecular dynamics simulation]
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1. Investigations On Local Structure Of Molten Alloys By Experimental And Ab Initio Methods
2. Study Of The Liquid Structure In Ti-Ni-Cu Alloy System
3. Research On The Local Atomic Structure Of Amorphous Alloys Using The Ab-initio Molecular Dynamics Simulation
4. First-principle Studies Of Structures And Physical Properties Of Binary Amorphous Alloys
5. Liquid-solid Interface Between Al Melts And Substrate During Heterogeneous Nucleation On Atomic Scale
6. Studies On The Reactivity Of Hydrated Electron In Aqueous Solution By Ab Initio Molecular Dynamics Simulation
7. Simulational Studies Of Excess Electron Interactions With Amino Acid Aqueous Solutions
8. Structural Evolution And Thermodynamical Properties Of Metallic Liquids And Glasses Studied By Ab Initio Molecular Dynamics Simulations
9. The Structural Characterization Of Solvated Electron And Its Associated Properties Revealed By Theoretical Studies
10. Ab Initio Molecular Dynamics Simulation On The Structure And Properties Of Ni-metalloid Amorphous Alloys
11. Study On The Mechanism Of A1N Vacuum Thermal Decomposition Reaction
12. Computational Design And Characterization Of New Types Of Si-based Photoelectric Nanomaterials And Osmacycle Dyes
13. Ab-initio Molecular Dynamic Study On The Structure Of Aluminosilicate Glass
14. Study On The Preparation Of Aluminum Nitride By Carbon Thermal Nitriding Of Aluminum Oxide Under Vacuum
15. Theoretical Study Of Ab Initio Molecular Dynamics Simulation Of Tin-based Alloys
16. Basic Theoretical Research On The Microstructure Of Ti-Al-V Alloy
17. Theoretical Studies On The Reactivity Of Solvated Electrons In Aqueous Solution
18. Study On Solidification Structure Refining And Mechanism Of 409L Ferritic Stainless Steel
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