117 citations · 203 across the 6 of their papers we have counts for
4 papers · 1 filter
Microstructural and compositional design principles for Mo-V-Nb-Ti-Zr multi-principal element alloys: a high-throughput first-principles study
Zhidong Leong, Upadrasta Ramamurty, Teck Leong Tan
Due to the vast compositional space of multi-principal element alloys (MPEAs), the rational design of MPEAs for optimized microstructures is difficult. Therefore, a high-throughput…
Robust cluster expansion of multicomponent systems using structured sparsity
Zhidong Leong, Teck Leong Tan
Identifying a suitable set of descriptors for modeling physical systems often utilizes either deep physical insights or statistical methods such as compressed sensing. In statistic…
In search of high performance anode materials for Mg batteries: computational studies of Mg in Ge, Si, and Sn
Oleksandr I. Malyi, Teck L. Tan, Sergei Manzhos
We present ab initio studies of structures, energetics, and diffusion properties of Mg in Si, Ge, and Sn diamond structures to evaluate their potential as insertion type anode mate…
Unique Truncated Cluster Expansions for Materials Design via Subspace Projection and Fractional Factorial Design
Teck L. Tan, Duane D. Johnson
For alloy thermodynamics, we obtain unique, physical effective cluster interactions (ECI) from truncated cluster expansions (CE) via subspace-projection from a complete configurati…