Effect of impurities on the ideal tensile strength of covalent crystals - ab-initio quantum molecular dynamics calculations

Engineering & Materials Science

• Molecular dynamics 100%
• Crystals 88%
• Impurities 85%
• Tensile strength 71%
• Doping (additives) 49%
• Local density approximation 46%
• Crystalline materials 46%
• Lattice vibrations 41%
• Conduction bands 37%
• Electronic structure 33%

Chemical Compounds

• Tensile Strength 75%
• Molecular Dynamics 65%
• Strength 56%
• Lattice Dynamics 43%
• Local-Density Approximation 42%
• Conduction Band 31%
• Tension 28%
• Electronic State 21%
• Reduction 13%