36 citations · 75 across the 8 of their papers we have counts for
8 papers
Complementary Thermodynamic Mechanisms of Boron and Carbon Segregation at Grain Boundaries in Nickel Alloys
Tyler D. Doležal, Rodrigo Freitas, Ju Li
Grain boundary stabilization by light interstitials is central to the performance of Ni-based superalloys, yet the thermodynamic mechanisms governing their interactions with substi…
Spectral Sampling of Boron Diffusion in Ni Alloys: Cr and Mo Effects on Bulk and Grain Boundary Transport
Tyler D. Doležal, Rodrigo Freitas, Ju Li
Understanding how light interstitials migrate in chemically complex alloys is essential for predicting defect dynamics and long-term stability. Here, we introduce a spectral sampli…
Atomistic mechanisms of oxidation and chlorine corrosion in Ni-based superalloys: The role of boron and light interstitial segregation
Tyler D. Doležal, Rodrigo Freitas, Ju Li
Hybrid Monte Carlo and molecular dynamics simulations were used to investigate the interaction of light interstitials in multi-element Ni-based alloys. We show that light interstit…
Mo-Re-W Alloys for High Temperature Applications: Phase Stability, Elasticity, and Thermal Property Insights via Multi-Cell Monte Carlo and Machine Learning
Tyler D. Doležal, Nick A. Valverde, Jodie Yuwono +1
The increasing demand for materials capable of withstanding high temperatures and harsh environments necessitates the discovery of advanced alloys. This study introduces a computat…
On the adsorption of oxygen to high entropy alloy surfaces up to 2ML coverage using Density Functional Theory and Monte Carlo calculations
Tyler D. Doležal, Adib J. Samin
To enhance our understanding of oxidation in high-entropy alloys, the early stages of oxidation on the surface of Al10Nb15Ta5Ti30Zr40 were studied using density functional theory a…
A first-principles study on the early-stage corrosion of a NiWNb alloy in a chloride salt environment
Tyler D. Doležal, Adib J. Samin
In this work a representative nickel superalloy, Ni70W20Nb10, was investigated in the presence of chlorine to quantify its early-stage dissolution behavior. Surface structures were…
Atomistic Simulations of Short-range Ordering with Light Interstitials in Inconel Superalloys
Tyler D. Dolžal, Emre Tekoglu, Jong-Soo Bae +3
This study employed hybrid Monte Carlo Molecular Dynamics simulations to investigate the short-range ordering behavior of Ni-based superalloys doped with boron or carbon. The simul…
Segregation and Ordering of Light Interstitials (B, C, H, and N) in Cr-Ni Alloys: Implications for Grain Boundary Stability in Superalloy Design
Tyler D. Doležal, Rodrigo Freitas, Ju Li
The segregation and ordering behavior of light interstitials (B, C, and N) in Cr30-Ni is examined, as these elements are critical for grain boundary stability and high-temperature…