Beyond the average: spatial and temporal fluctuations in oxide glass-forming systems

KA Kirchner, DR Cassar, ED Zanotto, M Ono… - Chemical …, 2022 - ACS Publications
Atomic structure dictates the performance of all materials systems; the characteristic of
disordered materials is the significance of spatial and temporal fluctuations on composition …

Persistent homology analysis for materials research and persistent homology software: HomCloud

I Obayashi, T Nakamura, Y Hiraoka - journal of the physical society of …, 2022 - journals.jps.jp
This paper introduces persistent homology, which is a powerful tool to characterize the
shape of data using the mathematical concept of topology. We explain the fundamental idea …

Structure of disordered materials under ambient to extreme conditions revealed by synchrotron x-ray diffraction techniques at SPring-8—recent instrumentation and …

K Ohara, Y Onodera, M Murakami… - Journal of Physics …, 2021 - iopscience.iop.org
The structure of disordered materials is still not well understood because of insufficient
experimental data. Indeed, diffraction patterns from disordered materials are very broad and …

Machine learning molecular dynamics reveals the structural origin of the first sharp diffraction peak in high-density silica glasses

K Kobayashi, M Okumura, H Nakamura, M Itakura… - Scientific Reports, 2023 - nature.com
The first sharp diffraction peak (FSDP) in the total structure factor has long been regarded as
a characteristic feature of medium-range order (MRO) in amorphous materials with a …

Accessing a forbidden disordered state of a zeolitic imidazolate framework with higher stiffness and toughness through irradiation

T Du, SS Sørensen, Q Zhou, M Bauchy… - Chemistry of …, 2022 - ACS Publications
Metal–organic frameworks (MOFs) with nanoscale porosity have numerous potential
applications, for example, within catalysis, shock absorption, ion transportation, gas sorption …

Spatially resolved structural order in low-temperature liquid electrolyte

Y Xie, J Wang, BH Savitzky, Z Chen, Y Wang… - Science …, 2023 - science.org
Determining the degree and the spatial extent of structural order in liquids is a grand
challenge. Here, we are able to resolve the structural order in a model organic electrolyte of …

[HTML][HTML] Persistent homology: A tool to understand medium-range order glass structure

SS Sørensen, T Du, CAN Biscio, L Fajstrup… - Journal of Non …, 2022 - Elsevier
Glass structure remains puzzling to scientists, especially due to the challenges in
characterizing their structural order beyond the first coordination shell, ie, the so-called …

Oxide glasses under pressure: Recent insights from experiments and simulations

T Du, SS Sørensen, T To, MM Smedskjaer - Journal of Applied Physics, 2022 - pubs.aip.org
Deciphering the structure-property relations of densified oxide glasses is a problem of
longstanding interest. For example, it is important for understanding the fracture mechanism …

[HTML][HTML] Topology of anisotropic glasses from persistent homology analysis

Z Pan, A Atila, E Bitzek, L Wondraczek - Journal of Non-Crystalline Solids, 2024 - Elsevier
Glasses are typically isotropic, but permanent or transient anisotropy can be induced by
tensile strain. We use persistent homology (PH) analysis to explore the topological effects of …

Very sharp diffraction peak in nonglass-forming liquid with the formation of distorted tetraclusters

C Koyama, S Tahara, S Kohara, Y Onodera… - NPG Asia …, 2020 - nature.com
Understanding the liquid structure provides information that is crucial to uncovering the
nature of the glass-liquid transition. We apply an aerodynamic levitation technique and high …