Ab initio molecular dynamics simulations of molten Al _1-xSi _x alloys

Chemical Compounds

• Structure Factor 100%
• Velocity Autocorrelation Function 68%
• Cage Effect 59%
• Molecular Dynamics 58%
• Alloy 55%
• Pseudopotential 50%
• Simulation 50%
• Neutron Diffraction 41%
• Eutectics 40%
• Velocity 33%
• Displacement 32%
• Force 27%
• Density Functional Theory 24%
• Diffusion 24%
• Liquid 21%
• Purity 20%

Engineering & Materials Science

• Molecular dynamics 89%
• Autocorrelation 84%
• Molten materials 78%
• Density functional theory 59%
• Neutron diffraction 57%
• Computer simulation 43%
• Eutectics 41%
• Atoms 41%
• Computational efficiency 38%
• Agglomeration 34%
• Temperature 31%
• Liquids 26%
• Experiments 14%

Physics & Astronomy

• coordination number 89%
• autocorrelation 77%
• molecular dynamics 57%
• pseudopotentials 39%
• eutectics 38%
• neutron diffraction 38%
• density functional theory 30%
• simulation 30%
• temperature 23%
• liquids 21%
• atoms 20%