首页|Effect of Ti Additions on Mechanical and Thermodynamic Properties of W-Ti Alloys:A First-principles Study
Effect of Ti Additions on Mechanical and Thermodynamic Properties of W-Ti Alloys:A First-principles Study
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The mechanical and thermodynamic properties of W-Ti alloys(including W15Ti1,W14Ti2,W12Ti4 and W8Ti8 alloys)were investigated by the first-principles approach based on density functional theory.The results indicate that W-Ti alloys except W8Ti8 are thermodynamically stable.The modulus and hardness of W-Ti alloys are smaller than those of pure tungsten and gradually decrease with increasing Ti concentration.However,their B/G ratios and Poisson's ratios exceed those of pure tungsten,suggesting that the introduction of Ti decreases the mechanical strength while enhancing the ductility of W-Ti alloys.The thermal expansion coefficients for W-Ti alloys all surpass those of pure tungsten,indicating that the introduction of titanium exacerbates the thermal expansion behavior of W-Ti alloys.Nevertheless,elevated pressure has the capacity to suppress the thermal expansion tendencies in titanium-doped tungsten alloys.This study offers theoretical insights for the design of nuclear materials by exploring the mechanical and thermodynamic properties of W-Ti alloys.
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