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 …

[HTML][HTML] Ash transformation mechanism during combustion of rice husk and rice straw

HB Dizaji, T Zeng, H Hölzig, J Bauer, G Klöß, D Enke - Fuel, 2022 - Elsevier
Biomass is an alternative energy resource to fossil fuels because of its potential to reduce
greenhouse gas emissions. However, ash-related problems are serious obstacles for this …

Experimental method to quantify the ring size distribution in silicate glasses and simulation validation thereof

Q Zhou, Y Shi, B Deng, J Neuefeind, M Bauchy - Science advances, 2021 - science.org
Silicate glasses have no long-range order and exhibit a short-range order that is often fairly
similar to that of their crystalline counterparts. Hence, the out-of-equilibrium nature of …

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 …

Structure of alumina glass

H Hashimoto, Y Onodera, S Tahara, S Kohara… - Scientific Reports, 2022 - nature.com
The fabrication of novel oxide glass is a challenging topic in glass science. Alumina (Al2O3)
glass cannot be fabricated by a conventional melt–quenching method, since Al2O3 is not a …

Effect of thermal treatments and ion substitution on sintering and crystallization of bioactive glasses: A review

FG Mecca, D Bellucci, V Cannillo - Materials, 2023 - mdpi.com
Bioactive glasses (BGs) are promising materials for bone regeneration due to their ability to
bond with living bone tissue. However, thermal stability and mechanical properties of BGs …

Accurate and transferable machine learning potential for molecular dynamics simulation of sodium silicate glasses

M Bertani, T Charpentier, F Faglioni… - Journal of Chemical …, 2024 - ACS Publications
An accurate and transferable machine learning (ML) potential for the simulation of binary
sodium silicate glasses over a wide range of compositions (from 0 to 50% Na2O) was …

[HTML][HTML] Interatomic potentials for oxide glasses: Past, present, and future

A Pedone, M Bertani, L Brugnoli, A Pallini - Journal of Non-Crystalline …, 2022 - Elsevier
The continuous development and improvement of interatomic potential models for oxide
glasses have made classical molecular dynamics a powerful computational technique …

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 …