activity
20232026
most citedMachine Learned Interatomic Potentials for Ternary Carbides trained on the AFLOW Database

19 citations · 29 across the 6 of their papers we have counts for

collaborators

8 papers

cond-mat.mtrl-sci2026

Grain-Size Dependence of Thermal and Electrical Properties in (Cr,Mo,Ta,V,W)C1-δ High-Entropy Carbide Ceramics

Ali Sarikhani, Gregory E. Hilmas, David W. Lipke +4

Thermal and electrical transport in high-entropy carbides can be influenced by grain-boundary scattering, but the relevant microstructural regime remains uncertain. Here, near-full…

cond-mat.mtrl-sci2026

The Case Against Hall-Petch Hardening in High Entropy Carbide Ceramics

Ali Sarikhani, Ana C. Feltrin, Gregory E. Hilmas +5

Grain size is often used with the Hall-Petch relationship to justify differences in hardness in ceramic materials. Herein, hardness does not vary systematically with grain-size for…

cond-mat.mtrl-sci2026

Grain Growth Kinetics in (Cr,Mo,Ta,V,W)C1-δ High-Entropy Carbide Ceramics

Ali Sarikhani, Gregory E. Hilmas, David W. Lipke +5

Understanding grain-boundary mobility during spark plasma sintering can enable microstructure control in high-entropy carbides, yet quantitative grain-growth kinetics remain scarce…

physics.chem-ph2025

A Software Package for Generating Robust and Accurate Potentials using the Moment Tensor Potential Framework

Josiah Roberts, Biswas Rijal, Simon Divilov +6

We present the Plan for Robust and Accurate Potentials (PRAPs), a software package for training and using moment tensor potentials (MTPs) in concert with the Machine Learned Intera…

cond-mat.mtrl-sci2025

Variable-Temperature Plasmonic High-Entropy Carbides

Simon Divilov, Sean D. Griesemer, Robert C. Koennecker +9

Effective thermal management at variable and extreme temperatures face limitations for the development of novel energy and aerospace applications. Plasmonic approaches, shown to be…

cond-mat.mtrl-sci2024★ 19 cited

Machine Learned Interatomic Potentials for Ternary Carbides trained on the AFLOW Database

Josiah Roberts, Biswas Rijal, Simon Divilov +6

Large density functional theory (DFT) databases are a treasure trove of energies, forces and stresses that can be used to train machine learned interatomic potentials for atomistic…

cond-mat.mtrl-sci2023★ 10 cited

A priori procedure to establish spinodal decomposition in alloys

Simon Divilov, Hagen Eckert, Cormac Toher +10

Spinodal decomposition can improve a number of essential properties in materials, especially hardness. Yet, the theoretical prediction of the onset of this phenomenon (e.g., temper…

cond-mat.mtrl-sci2023

Interfacial defect properties of high-entropy carbides: Stacking faults, Shockley partial dislocations, and a new Evans-Polanyi-Semenov relation

Samuel E. Daigle, Stefano Curtarolo, William G. Fahrenholtz +4

Using first principles calculations, {111} intrinsic stacking fault (ISF) energies in Group IVB, VB, and VIB high-entropy transition metal carbides are shown to be predictable from…