activity
20172026
most citedA New Transferable Interatomic Potential for Molecular Dynamics Simulations of Borosilicate Glasses

182 citations · 533 across the 22 of their papers we have counts for

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Showing cond-mat.mtrl-sciShow all

14 papers · 1 filter

cond-mat.mtrl-sci2026

Vitrification-Devitrification Enables Tunable Photonic and Gas Sorption Properties of Zeolitic Imidazolate Frameworks

Zhencai Li, Zihao Wang, Minhyuk Kim +14

Zeolitic imidazolate framework (ZIF) glasses represent an emerging family of melt-quenched glasses, which exhibit immense potential for applications in gas separation, energy stora…

cond-mat.mtrl-sci2026

Uncovering the deformation mechanism of glasses during indentation through high-resolution X-ray scattering

M. Faizal Ussama Jalaludeen, Søren S. Sørensen, Johan F. S. Christensen +7

Indentation experiments can be used to mimic real-life damage events of glasses that lead to surface flaws and thus lower practical strength. Conventional indentation studies often…

cond-mat.mtrl-sci2026

Fast Isotropic Li-Ion Diffusion in Zeolitic Imidazolate Framework Glass Electrolytes for Batteries

Yong Li, Tao Du, Timothée Jamin +4

All-solid-state lithium batteries require solid electrolytes that combine rapid room-temperature ion transport with mechanical robustness and interfacial compatibility. Zeolitic im…

cond-mat.mtrl-sci2026

Local Structure Dictates Ionic Transport and Mechanical Properties in Glassy Solid Electrolytes for Lithium Batteries

Yong Li, Tao Du, Rasmus Christensen +7

Electrolytes composed of sulfide and halide glasses are promising candidates for all-solid-state lithium batteries owing to their processability, lack of grain boundaries, and rela…

cond-mat.mtrl-sci2026

Connecting bond switching to fracture toughness of calcium aluminosilicate glasses

Sidsel Mulvad Johansen, Tao Du, Johan F. S. Christensen +5

Fracture toughness is a critical mechanical property of glasses, but a detailed understanding of its link to composition and structure is still missing. Here, focusing on the indus…

cond-mat.mtrl-sci2025

In situ mapping of indentation-induced densification and cracking in vitreous silica by nanofocus X-ray scattering

Johan F. S. Christensen, M. Faizal Ussama Jalaludeen, Søren S. Sørensen +9

The practical strength of oxide glasses is greatly reduced by surface flaws that form during processing and use. Instrumented indentation can mimic such real-life damage events and…

cond-mat.mtrl-sci2025

Inverse Design of Amorphous Materials with Targeted Properties

Jonas A. Finkler, Yan Lin, Tao Du +2

Disordered (amorphous) materials, such as glasses, are emerging as promising candidates for applications within energy storage, nonlinear optics, and catalysis. Their lack of long-…

cond-mat.mtrl-sci2024

Disorder-induced enhancement of lithium-ion transport in solid-state electrolytes

Zhimin Chen, Tao Du, N. M. Anoop Krishnan +2

Enhancing the ion conduction in solid electrolytes is critically important for the development of high-performance all-solid-state lithium-ion batteries (LIBs). Lithium thiophospha…

cond-mat.mtrl-sci2023★ 2 cited

Glass Hardness: Predicting Composition and Load Effects via Symbolic Reasoning-Informed Machine Learning

Sajid Mannan, Mohd Zaki, Suresh Bishnoi +8

Glass hardness varies in a non-linear fashion with the chemical composition and applied load, a phenomenon known as the indentation size effect (ISE), which is challenging to predi…

cond-mat.mtrl-sci2019★ 25 cited

Revealing the Atomic Structure of Silicate Glasses by Force-Enhanced Atomic Refinement

Qi Zhou, Tao Du, Lijie Guo +2

Although experiments can offer some fingerprints of the atomic structure of glasses (coordination numbers, pair distribution function, etc.), atomistic simulations are often requir…

cond-mat.mtrl-sci2019★ 1 cited

Cooling Rate Effects on the Structure of 45S5 Bioglass: Computational and Experimental Evidence of Si--P Avoidance

Pratik Bhaskar, Yashasvi Maurya, Rajesh Kumar +10

Due to its ability to bond with living tissues upon dissolution, 45S5 bioglass and related compositions are promising materials for the replacement, regeneration, and repair of har…

cond-mat.mtrl-sci2018

Structural Dependence of Chemical Durability in Modified Aluminoborate Glasses

Nerea Mascaraque, Kacper Januchta, Kristine F. Frederiksen +3

Alkali and alkaline earth aluminoborate glasses feature high resistance to cracking under sharp contact loading compared to other oxide glasses. However, due to the high content of…

cond-mat.mtrl-sci2018★ 10 cited

Temperature-Modulated Differential Scanning Calorimetry Analysis of High-Temperature Silicate Glasses

Tobias K. Bechgaard, Ozgur Gulbiten, John C. Mauro +3

Differential scanning calorimetry (DSC) is one of the most versatile probes for silicate glasses, allowing determination of, e.g., transition temperatures (glass, crystallization,…

cond-mat.mtrl-sci2017★ 162 cited

Cooling-Rate Effects in Sodium Silicate Glasses: Bridging the Gap between Molecular Dynamics Simulations and Experiments

Xin Li, Weiying Song, Kai Yang +7

Although molecular dynamics (MD) simulations are commonly used to predict the structure and properties of glasses, they are intrinsically limited to short time scales, necessitatin…