3 papers
cond-mat.mtrl-sci2025
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…
cond-mat.mtrl-sci2025
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…
cond-mat.mtrl-sci2025
Spectral Analysis of Light Interstitial Segregation Energies in Ni: The Role of Local Cr Coordination for Boron and Carbon
Tyler D. Doležal, Rodrigo Freitas, Ju Li
Understanding interstitial segregation in chemically complex alloys requires accounting for chemical and structural heterogeneity of interfaces, motivating approaches that move bey…