activity
20242026
most citedGrand canonically optimized grain boundary phases in hexagonal close-packed titanium

25 citations · 32 across the 6 of their papers we have counts for

collaborators

7 papers

cond-mat.mtrl-sci2026

Mesoscale Crystallographic Helicity in Confined Tellurium Quantum Wires

Moniruzzaman Jamal, I K M Reaz Rahman, Ke Ma +7

Helical order can facilitate symmetry breaking and emergent physical responses in crystalline materials, yet how intrinsic chirality manifests beyond atomic length scales remains p…

cond-mat.mes-hall2026

Nanocrystal Geometry Governs Phase Transformation Pathways in Palladium Hydride

Daewon Lee, Sam Oaks-Leaf, Hyeonjong Ma +14

Pathways and structural dynamics of phase transformations impact performance of materials in energy and information storage technologies. Palladium hydride () nanoc…

cond-mat.mtrl-sci2025

Ductility mechanisms in complex concentrated refractory alloys from atomistic fracture simulations

Wenqing Wang, Punit Kumar, David H. Cook +6

The striking variation in damage tolerance among refractory complex concentrated alloys is examined through the analysis of atomistic fracture simulations, contrasting behavior in…

cond-mat.mtrl-sci2024★ 1 cited

Operando probing of nanocracking in CuO-derived Cu during CO electroreduction

Jiawei Wan, Ershuai Liu, Woong Choi +20

Identifying and controlling active sites in electrocatalysis remains a grand challenge due to restructuring of catalysts in the complex chemical environments during operation. Inac…

cond-mat.mtrl-sci2024★ 4 cited

A simple model for short-range ordering kinetics in multi-principal element alloys

Anas Abu-Odeh, Bin Xing, Penghui Cao +2

Short-range ordering (SRO) in multi-principal element alloys influences material properties such as strength and corrosion. While some degree of SRO is expected at equilibrium, pre…

cond-mat.mtrl-sci2024★ 25 cited

Grand canonically optimized grain boundary phases in hexagonal close-packed titanium

Enze Chen, Tae Wook Heo, Brandon C. Wood +2

Grain boundaries (GBs) profoundly influence the properties and performance of materials, emphasizing the importance of understanding the GB structure and phase behavior. As recent…

cond-mat.stat-mech2024★ 2 cited

Atomic evolution of hydrogen intercalation wave dynamics in palladium nanocrystals

Daewon Lee, Sam Oaks-Leaf, Sophia B. Betzler +8

Solute-intercalation-induced phase separation creates spatial heterogeneities in host materials, a phenomenon ubiquitous in batteries, hydrogen storage, and other energy devices. D…