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Keyword [First-Principles Molecular Dynamics]
Result: 1 - 20 | Page: 1 of 2
1. Research On Effect Of Hydrogen In Titanium Crystal By First-Principles Calculation And Molecular Dynamics Simulation
2. Molecular Dynamics Simulations Of The Interfacial Structures In ZrB2/SiC Composite
3. First Principles Molecular Dynamics Study Of Solidification And Nucleation Processes In Metallic Melts
4. Simulation Study On Nucleation And Growth Of Hydrogen Crystal
5. Structure And Properties Of PI And PI/ZnO From First Principles
6. Theoretical Exploration On Porous Carbon Structures For Hydrogen Storage,Ions Batteries,and Water Desalination
7. A Space Simulation Study Of Physical Properties And Crystallization Processes For Ni/Fe Based Alloys At High Temperatures
8. First-Principles Study Of Hydrogen Storage Properties Of Metal-Decorated Porous Graphene
9. The Properties Of The Vanadium Based Alloys Affected By Trace Alloying Elements Simulated Via The Theoretical Way
10. Study On The Interfacial Stability Mechanism Of Laser Cladding YSZ@Ni Coating Based On DFT And MD Method
11. Theoretical Studies On Hydrogen Bonds Of The Amino-acids Hydration And (H2O)2,(HS)2,(HF)2
12. Growth And Refinement Mechanism Of Primary M7C3 Carbide In Hypereutectic Fe-Cr-C Alloy
13. First-principles Study On Stability And Oxygen Storage Capacity Of Cerium-zirconium Oxide Solid Solution
14. Atomic Scale Simulation Of Interfacial Properties And Mechanical Behavior Of Graphene/Titanium Matrix Composites
15. Theoretical Study On The Effect Of Interface And Silicon Microstructure On Li Ion Transport In Silicon Anode Materials
16. Computational Study Of The Interaction Between Solute Atom And Dislocation In Bcc-Fe
17. Atomic-scale Study On The Interface Properties And Mechanical Behavior Of Graphene Reinforced Aluminium-silicon Alloy Matrix Composites
18. Theoretical Study On The Influence Mechanism Of Additives On Ionic Liquid Electrodeposition Of Aluminum
19. Structural and Vibrational Properties of Liquid Water and Aqueous Solutions from First Principles Molecular Dynamics
20. Study On The Thermal Stability Of Nanocrystalline Materials Based On The Thermo-kinetic Correlation
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