Development of the ReaxFF Reactive Force Field for Cu/Si Systems with Application to Copper Cluster Formation during Cu Diffusion Inside Silicon

Chemical Compounds

• Copper Atom 100%
• Force 58%
• Molecular Cluster 56%
• Diffusion 53%
• Stress-Strain Relationship 37%
• Simulation 27%
• Application 27%
• Energy Barrier 20%
• Solar Cell 18%
• Electrical Property 18%
• Molecular Dynamics 15%
• Transition Element 15%
• Density Functional Theory 13%
• Surface 6%

Engineering & Materials Science

• Copper 70%
• Silicon 68%
• Atoms 59%
• Impurities 27%
• Energy barriers 14%
• Density functional theory 14%
• Transition metals 14%
• Microcracking 13%
• Temperature 11%
• Molecular dynamics 10%
• Electric properties 10%
• Solar cells 10%
• Crystalline materials 10%
• Nickel 8%
• Integrated circuits 8%
• Iron 8%
• Elastic moduli 8%
• Set theory 6%
• Computer simulation 5%

Physics & Astronomy

• field theory (physics) 88%
• copper 61%
• silicon 46%
• atoms 29%
• impurities 19%
• stress-strain relationships 13%
• education 9%
• integrated circuits 9%
• temperature 8%
• transition metals 8%
• nickel 7%
• modulus of elasticity 7%
• density functional theory 7%
• simulation 7%
• solid state 7%
• solar cells 7%
• electrical properties 7%
• molecular dynamics 6%
• iron 6%
• configurations 5%
• performance 4%
• energy 2%