207 citations
- U.S. Air Force Institute of TechnologyUS18 papers
- United States Air Force Research LaboratoryUS5 papers
- The Ohio State UniversityUS4 papers
- Carnegie Mellon UniversityUS3 papers
- Massachusetts Institute of TechnologyUS3 papers
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- University of DaytonUS3 papers
- University of MissouriUS3 papers
- University of OxfordGB3 papers
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- West Virginia UniversityUS3 papers
- École PolytechniqueFR2 papers
6 papers · 1 filter
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…
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…
Dipolar Self-Interactions Drive Polymer Chain Collapse
Pratik Khandagale, Gal deBotton, Timothy Breitzman +2
We report that a dielectric polymer chain, constrained at both ends, sharply collapses when exposed to a high electric field. The chain collapse is driven by nonlocal dipolar inter…
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…