Impurity Effects on Titanium Alloys
Titanium combines formability with corrosion resistance and the highest strength-to-density ratio of any elemental metal, and as a result commercial purity titanium alloys are popular for aerospace and naval applications. A stronger titanium alloy that improves on the formability of existing titanium alloys would result in considerable cost, weight and production savings in these applications.
Structural alloys are often strengthened through the addition of solute atoms. However, given that solute atoms interact weakly with the elastic fields of screw dislocations, it has long been accepted that solution hardening is only marginally effective in materials with mobile screw dislocations. By using transmission electron microscopy and nanomechanical characterization, we report that the intense hardening effect of dilute oxygen solutes in pure α-Ti is due to the interaction between oxygen and the core of screw dislocations that mainly glide on prismatic planes. First-principles calculations reveal that distortion of the interstitial sites at the screw dislocation core creates a very strong but short-range repulsion for oxygen that is consistent with experimental observations. These results establish a highly effective mechanism for strengthening by interstitial solutes. (See the paper in Science describing this discovery here.)
Currently, in a collaborative effort with the Asta and Minor groups, we are delving more deeply into the role that oxygen plays in mechanical properties of Ti, with Max Poschmann leading the theoretical developments.
![Simulation results showing the crystallographic source of the oxygen interaction with the screw dislocation core. (A) GSF curves for [11-20|1-100] slip system in (2a × 1c) supercell in Ti with oxygen at different interstitial sites on the slip interface. (B) In path I, oxygen is near the original octahedral site in the perfect lattice as the left part figure; in path II, oxygen is at the new octahedral site on Ti basal plane when lattice slip is close to 0.5 a (right part). (C) Distribution of interstitial volume near screw dislocation core. Yellow dots stand for the position of Ti atoms, and the red asterisk in the center is the geometric center of dislocation core. The interstitial volume is defined as 1/6 × π × d3 , where d is the distance between one point to its nearest Ti atom. (D) A schematic of local dislocation cross slip when an screw dislocation encounters oxygen interstitials.](http://coe2chrzan.wpengine.com/wp-content/uploads/2016/09/titaniumLiang-500x334.png)
Simulation results showing the crystallographic source of the oxygen interaction with the screw dislocation core. (A) GSF curves for [11-20|1-100] slip system in (2a × 1c) supercell in Ti with oxygen at different interstitial sites on the slip interface. (B) In path I, oxygen is near the original octahedral site in the perfect lattice as the left part figure; in path II, oxygen is at the new octahedral site on Ti basal plane when lattice slip is close to 0.5 a (right part). (C) Distribution of interstitial volume near screw dislocation core. Yellow dots stand for the position of Ti atoms, and the red asterisk in the center is the geometric center of dislocation core. The interstitial volume is defined as 1/6 × π × d3 , where d is the distance between one point to its nearest Ti atom. (D) A schematic of local dislocation cross slip when an screw dislocation encounters oxygen interstitials.