Influence of W-doped concentration on the structural stability, elastic properties, hardness and brittle-or-ductile behavior of ZrB2 high-temperature ceramics

Key Points

• The research aims to explore how W-doping affects the mechanical properties of ZrB2 ceramics.
• Conducting first-principles calculations
• Analyzing structural stability
• Evaluating elastic properties
• Assessing hardness and brittle-ductile behavior
• W-doping improves the structural stability of ZrB2
• Elastic properties are enhanced with increased W concentration
• Hardness shows significant improvement
• Changes in ductility indicate a shift from brittle to more ductile behavior