Application of numerical inverse method in calculation of composition-dependent interdiffusion coefficients in finite diffusion couples

Abstract

The previously developed numerical inverse method was applied to determine the composition-dependent interdiffusion coefficients in single-phase finite diffusion couples. The numerical inverse method was first validated in a fictitious binary finite diffusion couple by pre-assuming four standard sets of interdiffusion coefficients. After that, the numerical inverse method was then adopted in a ternary Al-Cu-Ni finite diffusion couple. Based on the measured composition profiles, the ternary interdiffusion coefficients along the entire diffusion path of the target ternary diffusion couple were obtained by using the numerical inverse approach. The comprehensive comparison between the computational diffusion properties and the experimental data indicates that the numerical inverse method is also applicable to the high-throughput determination of the composition-dependent interdiffusion coefficients in finite diffusion couples.

High-Throughput Determination of Interdiffusivities for Ni-Al-Cr Alloys at 1173 K through a Combination of Diffusion Multiple and Numerical Inverse Method

“…In the aspect of computational approaches, a numerical inverse method for the reliable composition-dependent ternary interdiffusivities using a single diffusion couple was developed by the present authors [13], and then augmented to be applicable in binary, ternary and high-order systems [14]. Up to now, the developed numerical inverse method has been successfully applied in different binary, ternary and multicomponent alloys [13][14][15][16][17][18][19][20]. Very recently, the present authors utilized the combinational approach of the diffusion multiple technique and the numerical inverse method to determine the composition-dependent interdiffusivities for fcc Co-Cr-Fe-Mn-Ni alloys [19].…”

Diffusion and Atomic Mobility for FCC Ni-Si-Ti Alloys: Experiment and Modeling

“…[12] It is more efficient than traditional Matano-Kirkaldy method because the Matano-Kirkaldy method can only calculate the diffusion coefficient at the intersection of the diffusion path in two diffusion couples. [13,14] Both methods are included in CALTPP (CALculation of ThermoPhysical Properties) program in which the atomic mobilities can be optimized combined the thermodynamic description.…”