activity
20162026
most citedDensity Functional Modeling and Total Scattering Analysis of the Atomic Structure of a Quaternary CaO-MgO-Al2O3-SiO2 (CMAS) Glass: Uncovering the Local Environment of Magnesium

21 citations · 52 across the 6 of their papers we have counts for

collaborators

6 papers

cond-mat.mtrl-sci2026

Large language model-enabled automated data extraction for concrete materials informatics

Zhanzhao Li, Kengran Yang, Qiyao He +1

The promise of data-driven materials discovery remains constrained by the scarcity of large, high-quality, and accessible experimental datasets. Here, we introduce a generalizable…

cond-mat.mtrl-sci2023★ 1 cited

Density functional modeling of the binding energies between aluminosilicate oligomers and different metal cations

Kai Gong, Kengran Yang, Claire E. White

Interactions between negatively charged aluminosilicate species and positively charged metal cations are critical to many important engineering processes and applications, includin…

cond-mat.mtrl-sci2019★ 21 cited

Density Functional Modeling and Total Scattering Analysis of the Atomic Structure of a Quaternary CaO-MgO-Al2O3-SiO2 (CMAS) Glass: Uncovering the Local Environment of Magnesium

Kai Gong, V. Ongun Özçelik, Kengran Yang +1

Quaternary CaO-MgO-Al2O3-SiO2 glasses are important constituents of the Earth's lower crust and mantle, and they also have important industrial applications such as in metallurgica…

cond-mat.mtrl-sci2019★ 1 cited

Modeling the Early Stage Formation Mechanisms of Calcium Silicate Hydrates and Related Gels

Kengran Yang, Claire E. White

Arguably the most ubiquitous construction material in modern civilization, concrete is enabling the development of megacities around the globe together with increasing living stand…

cond-mat.mtrl-sci2017★ 16 cited

Drying-Induced Atomic Structural Rearrangements in Sodium-Based Calcium-Alumino-Silicate-Hydrate Gel and the Mitigating Effects of ZrO Nanoparticles

Kengran Yang, V. Ongun Özçelik, Nishant Garg +2

Conventional drying of colloidal materials and gels (including cement) can lead to detrimental effects due to the buildup of internal stresses as water evaporates from the nano/mic…

cond-mat.mtrl-sci2016★ 13 cited

Anisotropic crystallization in solution processed chalcogenide thin film by linearly polarized laser

Tingyi Gu, Hyuncheol Jeong, Kengran Yang +5

The low activation energy associated with amorphous chalcogenide structures offers broad tunability of material properties with laser-based or thermal processing. In this paper, we…