Diffusion coefficients of multi-principal element alloys from first principles
Fuente:
arXiv
Saved in:
| Main Authors: | Lee, Damien K. J., Natarajan, Anirudh Raju |
|---|---|
| Format: | Preprint |
| Published: |
2026
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Thermodynamic and electronic properties of rutile Sn$_{1-x}$Ge$_x$O$_2$ alloys from first principles
by: Müller, Yann L., et al.
Published: (2026)
by: Müller, Yann L., et al.
Published: (2026)
Modeling the Equilibrium Vacancy Concentration in Multi-Principal Element Alloys from First-Principles
by: Lee, Damien K. J., et al.
Published: (2025)
by: Lee, Damien K. J., et al.
Published: (2025)
Synthesizability, hardness, and stacking order in multicomponent transition metal carbides from machine-learned potentials
by: Liu, Xin, et al.
Published: (2026)
by: Liu, Xin, et al.
Published: (2026)
Machine learning interatomic potentials for solid-state precipitation
by: Piersante, Lorenzo, et al.
Published: (2026)
by: Piersante, Lorenzo, et al.
Published: (2026)
Current progress in corrosion of multi principal element alloys
by: Ghorbani, M., et al.
Published: (2024)
by: Ghorbani, M., et al.
Published: (2024)
Ubiquitous short-range order in multi-principal element alloys
by: Han, Ying, et al.
Published: (2024)
by: Han, Ying, et al.
Published: (2024)
Constructing multicomponent cluster expansions with machine-learning and chemical embedding
by: Müller, Yann L., et al.
Published: (2024)
by: Müller, Yann L., et al.
Published: (2024)
A survey of energies from pure metals to multi-principal element alloys
by: Chen, Ruitian, et al.
Published: (2024)
by: Chen, Ruitian, et al.
Published: (2024)
Temperature-dependent discovery of BCC refractory multi-principal element alloys: Integrating deep learning and CALPHAD calculations
by: Shargh, A. K., et al.
Published: (2024)
by: Shargh, A. K., et al.
Published: (2024)
Efficient small-cell sampling for machine-learning potentials of multi-principal element alloys
by: Liu, Yan, et al.
Published: (2025)
by: Liu, Yan, et al.
Published: (2025)
A simple model for short-range ordering kinetics in multi-principal element alloys
by: Abu-Odeh, Anas, et al.
Published: (2024)
by: Abu-Odeh, Anas, et al.
Published: (2024)
Uncertainty-aware phase fraction prediction and active-learning-guided out-of-domain discovery of refractory multi-principal element alloys
by: Shargh, A. K., et al.
Published: (2026)
by: Shargh, A. K., et al.
Published: (2026)
Tuning chemical short-range order for stainless behavior at reduced chromium concentrations in multi-principal element alloys
by: Blades, W. H., et al.
Published: (2024)
by: Blades, W. H., et al.
Published: (2024)
Decoding the hidden dynamics of super-Arrhenius hydrogen diffusion in multi-principal element alloys via machine learning
by: Shuang, Fei, et al.
Published: (2024)
by: Shuang, Fei, et al.
Published: (2024)
Role of chromium oxides and carbides in strengthening CoCrFeNi multi-principle element alloys
by: Olejarz, Artur, et al.
Published: (2025)
by: Olejarz, Artur, et al.
Published: (2025)
Electron-phonon coupling in ferromagnetic Fe-Co alloys from first principles
by: Moseni, Kevin, et al.
Published: (2024)
by: Moseni, Kevin, et al.
Published: (2024)
OptiMat Alloys: a FAIR, living database of multi-principal element alloys enabled by a conversational agent
by: Hu, Yang, et al.
Published: (2026)
by: Hu, Yang, et al.
Published: (2026)
Understanding the phase stability in multi-principal-component AlCuFeMn alloy
by: Swarnakar, Palash, et al.
Published: (2024)
by: Swarnakar, Palash, et al.
Published: (2024)
Short-range order and its impacts on the BCC NbMoTaW multi-principal element alloy by the machine-learning potential
by: Santos-Florez, Pedro A., et al.
Published: (2022)
by: Santos-Florez, Pedro A., et al.
Published: (2022)
Atomistic and data-driven insights into the local slip resistances in random refractory multi-principal element alloys
by: Jian, Wu-Rong, et al.
Published: (2026)
by: Jian, Wu-Rong, et al.
Published: (2026)
Exploring the impact of Ti/Al on L12 nanoprecipitation and deformation behavior in CoNiFeAlTi multi-principal element alloys through atomistic simulations
by: Esfandiarpour, Amin, et al.
Published: (2025)
by: Esfandiarpour, Amin, et al.
Published: (2025)
Phase stability and structural properties of the K$_{x}$Ca$_{1-x}$N novel ferromagnetic alloy from first-principles
by: Larbaoui, K., et al.
Published: (2025)
by: Larbaoui, K., et al.
Published: (2025)
Predicting the Curie temperature in substitutionally disordered alloys using a first-principles based model
by: Brännvall, Marian Arale, et al.
Published: (2024)
by: Brännvall, Marian Arale, et al.
Published: (2024)
A first-principles study on the early-stage corrosion of a NiWNb alloy in a chloride salt environment
by: Doležal, Tyler D., et al.
Published: (2025)
by: Doležal, Tyler D., et al.
Published: (2025)
Structural and magnetic properties of Fe-Co-C alloys with tetragonal deformation: a first-principle study
by: Marciniak, Wojciech, et al.
Published: (2023)
by: Marciniak, Wojciech, et al.
Published: (2023)
Structural transformation and magnetic properties of (Fe$_{0.7}$Co$_{0.3}$)$_2$B alloys doped with 5$d$ elements: A combined first-principles and experimental study
by: Musiał, A., et al.
Published: (2021)
by: Musiał, A., et al.
Published: (2021)
Tailoring hard magnetic properties of Fe2MnSn Heusler alloy via interstitial modification: A first-principles approach
by: Jami, Junaid, et al.
Published: (2025)
by: Jami, Junaid, et al.
Published: (2025)
Point defects in CdTe and CdTeSe alloy: a first principles investigation with DFT+U
by: Xiang, Xiaofeng, et al.
Published: (2024)
by: Xiang, Xiaofeng, et al.
Published: (2024)
Magnetization and exchange-stiffness constants of Fe-Al-Si alloys at finite-temperatures: A first-principles study
by: Yamashita, Shogo, et al.
Published: (2024)
by: Yamashita, Shogo, et al.
Published: (2024)
Effects of colored disorder on the heat conductivity of SiGe alloys from first principles
by: Fiorentino, Alfredo, et al.
Published: (2024)
by: Fiorentino, Alfredo, et al.
Published: (2024)
Enhancement of the electronic thermoelectric properties of bulk strained silicon-germanium alloys using the scattering relaxation times from first principles
by: Murphy-Armando, F.
Published: (2019)
by: Murphy-Armando, F.
Published: (2019)
Electron mobility in AlN from first principles
by: Wang, Amanda, et al.
Published: (2025)
by: Wang, Amanda, et al.
Published: (2025)
Giant magnetocrystalline anisotropy energy in Fe--Co alloy under uniaxial compression: first-principles prediction
by: Marciniak, Wojciech, et al.
Published: (2024)
by: Marciniak, Wojciech, et al.
Published: (2024)
Itinerant magnetism vis-à-vis structural phases in AlCuFeMn multi-principal-component medium entropy alloy
by: Swarnakar, Palash, et al.
Published: (2024)
by: Swarnakar, Palash, et al.
Published: (2024)
Indicators for phonon hydrodynamics from first principles predictions of thermal conductivity
by: Malviya, Nikhil, et al.
Published: (2026)
by: Malviya, Nikhil, et al.
Published: (2026)
Electron mobility of SnO2 from first principles
by: Wang, Amanda, et al.
Published: (2024)
by: Wang, Amanda, et al.
Published: (2024)
Composition based machine learning to predict phases & strength of refractory high entropy alloys
by: Iyengar, M. Sreenidhi, et al.
Published: (2025)
by: Iyengar, M. Sreenidhi, et al.
Published: (2025)
High entropy alloys and their affinity to hydrogen: from Cantor to platinum group elements alloys
by: Glazyrin, Konstantin, et al.
Published: (2024)
by: Glazyrin, Konstantin, et al.
Published: (2024)
Magnon-phonon interactions from first principles
by: Le, Khoa B., et al.
Published: (2025)
by: Le, Khoa B., et al.
Published: (2025)
Electronic structure of molybdenene from first principles
by: Shekaari, Ashkan, et al.
Published: (2024)
by: Shekaari, Ashkan, et al.
Published: (2024)
Similar Items
-
Thermodynamic and electronic properties of rutile Sn$_{1-x}$Ge$_x$O$_2$ alloys from first principles
by: Müller, Yann L., et al.
Published: (2026) -
Modeling the Equilibrium Vacancy Concentration in Multi-Principal Element Alloys from First-Principles
by: Lee, Damien K. J., et al.
Published: (2025) -
Synthesizability, hardness, and stacking order in multicomponent transition metal carbides from machine-learned potentials
by: Liu, Xin, et al.
Published: (2026) -
Machine learning interatomic potentials for solid-state precipitation
by: Piersante, Lorenzo, et al.
Published: (2026) -
Current progress in corrosion of multi principal element alloys
by: Ghorbani, M., et al.
Published: (2024)