48 citations · 84 across the 8 of their papers we have counts for
9 papers
Exploring the extremes: atomic basis for multi-elemental materials science under complex thermodynamic conditions
Anton Bochkarev, Yury Lysogorskiy, Aparna Subramanyam +2
Modern materials science has historically been founded on combining restricted subsets of the periodic table, favoring high-purity, few-element systems. However, the demands of an…
Uncertainty Quantification for Misspecified Machine Learned Interatomic Potentials
Danny Perez, Aparna P. A. Subramanyam, Ivan Maliyov +1
The use of high-dimensional regression techniques from machine learning has significantly improved the quantitative accuracy of interatomic potentials. Atomic simulations can now p…
Stacking fault segregation imaging with analytical field ion microscopy
F. F. Morgado, L. T. Stephenson, S. Bhatt +8
Stacking faults (SF) are important structural defects that play an essential role in the deformation of engineering alloys. However, direct observation of stacking faults at the at…
Information-entropy-driven generation of material-agnostic datasets for machine-learning interatomic potentials
Aparna P. A. Subramanyam, Danny Perez
In contrast to their empirical counterparts, machine-learning interatomic potentials (MLIAPs) promise to deliver near-quantum accuracy over broad regions of configuration space. Ho…
Parameterization protocol and refinement strategies for accurate and transferable analytic bond-order potentials: Application to Re
Aparna P. A. Subramanyam, Jan Jenke, Alvin Noe Ladines +2
Interatomic potentials provide a means to simulate extended length and time scales that are outside the reach of ab initio calculations. The development of an interatomic potential…
Magnetic bond-order potential for iron-cobalt alloys
Aleksei Egorov, Aparna P. A. Subramanyam, Ziyi Yuan +2
For large-scale atomistic simulations of magnetic materials, the interplay of atomic and magnetic degrees of freedom needs to be described with high computational efficiency. Here…
Understanding creep of a single-crystalline Co-Al-W-Ta superalloy by studying the deformation mechanism, segregation tendency and stacking fault energy
Nicklas Volz, Fei Xue, Christopher H. Zenk +9
A systematic study of the compression creep properties of a single-crystalline Co-base superalloy (Co-9Al-7.5W-2Ta) was conducted at 950 °C, 975 °C and 1000 °C to reveal the influe…
Imaging individual solute atoms at crystalline imperfections in metals
Shyam Katnagallu, Leigh T. Stephenson, Isabelle Mouton +11
Directly imaging all atoms constituting a material and, maybe more importantly, crystalline defects that dictate materials' properties, remains a formidable challenge. Here, we pro…
Electronic structure based descriptor for characterizing local atomic environments
Jan Jenke, Aparna P. A. Subramanyam, Marc Densow +3
A quantitative descriptor of local atomic environments is often required for the analysis of atomistic data. Descriptors of the local atomic environment ideally provide physically…