625 citations · 3.8k across the 77 of their papers we have counts for
8 papers · 1 filter
Large Language Models for Material Property Predictions: elastic constant tensor prediction and materials design
Siyu Liu, Tongqi Wen, Beilin Ye +2
Efficient and accurate prediction of material properties is critical for advancing materials design and applications. The rapid-evolution of large language models (LLMs) presents a…
Why Grain Growth is Not Curvature Flow
Caihao Qiu, David J. Srolovitz, Gregory S. Rohrer +2
Grain growth in polycrystals is traditionally considered a capillarity-driven process, where grain boundaries (GBs) migrate toward their centers of curvature (i.e., mean curvature…
Dynamics of Small Solid Particles on Substrates of Arbitrary Topography
Quan Zhao, Wei Jiang, Yan Wang +3
We study the dynamics of a small solid particle arising from the dewetting of a thin film on a curved substrate driven by capillarity, where mass transport is controlled by surface…
Kinetic and Equilibrium Shapes of Cylindrical Grain Boundaries
Anqi Qiu, Caihao Qiu, Ian Chesser +3
In this work, we investigate the shape evolution of rotated, embedded, initially cylindrical grains (with [001] cylinder axis) in Ni under an applied synthetic driving force via mo…
Strain-Enabled Giant Second-Order Susceptibility in Monolayer WSe
Zhizi Guan, Yunkun Xu, Junwen Li +3
Monolayer WSe (ML WSe) exhibits a high second-harmonic generation (SHG) efficiency under single 1-photon (1-p) or 2-photon (2-p) resonant excitation conditions due to enhan…
An Extendable Cloud-Native Alloy Property Explorer
Zhuoyuan Li, Tongqi Wen, Yuzhi Zhang +8
The ability to rapidly evaluate materials properties through atomistic simulation approaches is the foundation of many new artificial intelligence-based approaches to materials ide…