Article
Materials Science, Multidisciplinary
Alec Mishkin, Jun Jiang, Rui Zhang, Hai-Ping Cheng, Kiran Prasai, Riccardo Bassiri, Martin Fejer
Summary: In this paper, a computational tool is presented to identify the bonded atoms' shortest path connecting any pair of atoms at an arbitrary distance, which is called as chains and well suited for characterizing medium-range order. The application of this tool to force enhanced atomic refinement produced models of 50% zirconia tantala reveals a systematic change in the medium-range order caused by heat treatment, attributed to chains becoming kinkier. An in-depth analysis on specific chains also demonstrates the correlation between peaks seen in the pair distribution function. Zirconia tantala is used as an example, but this tool can be easily applied to other materials.
Article
Multidisciplinary Sciences
Florian Allein, Adamantios Anastasiadis, Rajesh Chaunsali, Ian Frankel, Nicholas Boechler, Fotios K. Diakonos, Georgios Theocharis
Summary: This study introduces a family of topological systems called strain topological metamaterials, whose topological properties are only revealed under higher-order coordinate transformations. The findings show that the canonical mass dimer and the Mechanical Majorana-supporting Kitaev chain belong to this family and can support topological edge states with complex boundaries.
NATURE COMMUNICATIONS
(2023)
Article
Multidisciplinary Sciences
Ying Shi, Binghui Deng, Ozgur Gulbiten, Mathieu Bauchy, Qi Zhou, Joerg Neuefeind, Stephen R. Elliott, Nicholas J. Smith, Douglas C. Allan
Summary: Despite decades of studies, the nature of the glass transition remains elusive. Fragility, which describes the sharpness of dynamical arrest at the glass transition, is inversely correlated with the medium-range order structure characterized by the average medium-range distance (MRD). Low MRD values indicate an excess of unstable small network rings in glasses, which deform more readily with temperature changes and increase fragility.
NATURE COMMUNICATIONS
(2023)
Article
Materials Science, Ceramics
Qianke Zhu, Lu Guo, Zhe Chen, Yong Jiang, Meng Li, Kewei Zhang, Jifan Hu, Wang Li, Qi Guo
Summary: In this study, two types of magnetic ribbons were fabricated using the melt spinning method, and the effects of annealing temperature on their microstructure and magnetic properties were investigated. The annealed Fe40Ni38GaxB22-x ribbons showed a refined nanostructure due to charge transfer, which greatly improved the soft magnetic properties.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2022)
Article
Materials Science, Multidisciplinary
Keita Nomoto, Anna Ceguerra, Christoph Gammer, Bosong Li, Huma Bilal, Anton Hohenwarter, Bernd Gludovatz, Jurgen Eckert, Simon P. Ringer, Jamie J. Kruzic
Summary: The study revealed the hierarchical structure of BMGs through nanobeam electron diffraction experiments, showing that the local hardness of microscale domains decreases with the size and volume fraction of atomic clusters with higher local MRO. A model of ductile phase softening was proposed to enable the design of BMGs in the future by tuning the MRO size and distribution in the nanostructure.
Article
Physics, Multidisciplinary
Dominic J. Skinner, Boya Song, Hannah Jeckel, Eric Jelli, Knut Drescher, Joern Dunkel
Summary: Recent advances in microscopy techniques allow for studying complex biophysical systems at single-cell resolution, distinguishing structurally different cellular materials through a topological earth mover's (TEM) distance, and revealing a topological optimal transport problem in fruit fly wing development.
PHYSICAL REVIEW LETTERS
(2021)
Article
Materials Science, Multidisciplinary
Jiachen Luo, Zongliang Du, Hui Chen, Xianggui Ding, Chang Liu, Weisheng Zhang, Xu Guo
Summary: This work proposes a systematic design framework for 3D mechanical higher-order topological insulators (HOTIs) by combining the symmetry indicators (SI) method and the moving morphable components (MMC) method. It modifies the classic formulas of topological invariants for elastic waves and designs helical multipole topological insulators (MTIs) with corner states and helical energy fluxes by constraining topological invariants and maximizing band gap width. This design paradigm can be extended to different symmetry classes, space groups, and physical systems.
JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS
(2023)
Article
Multidisciplinary Sciences
Ali Nabi Duman, Ahmet E. Tatar
Summary: In recent years, the functional connectivity community has shifted its focus to include temporal dynamics, particularly using noninvasive electrophysiological data (MEG/EEG) with high temporal resolution and good spatial coverage. In this article, the authors propose a topological data analysis method called Mapper, which can differentiate cognitive tasks without collapsing the data spatially and temporally. Mapper provides an interactive visualization of rapid fluctuations in electrophysiological data during motor and cognitive tasks, potentially extracting clinically relevant information at an individual level.
Article
Multidisciplinary Sciences
Jing Wang, Ping Jiang, Fuping Yuan, Xiaolei Wu
Summary: This study demonstrates the existence of chemical medium-range order (CMRO) in an Al9.5CrCoNi high-/medium-entropy alloy (H/MEA) and observes CMRO entities with lattice periodicity. Dark-field imaging and atomic-resolution EDS mapping reveal the pairing tendencies of atoms in the medium range and the avoidance of like-pair and preference for unlike-pair. These findings provide insights into the microstructural link at an extended length scale beyond the short-range order.
NATURE COMMUNICATIONS
(2022)
Article
Physics, Condensed Matter
Pragya Shukla
Summary: Our theoretical analysis reveals the presence of a previously unknown universality, a dimensionless length scale related to the ratio of medium and short-range ordered structures in amorphous systems, originating from the interplay between dispersion forces and phonon-mediated coupling. This scale gives rise to the underlying structure of various properties, such as specific heat, internal friction, boson peak characteristics, Meissner-Berret ratio, observed in low temperature universalities.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2022)
Article
Chemistry, Physical
Si Lan, Li Zhu, Zhenduo Wu, Lin Gu, Qinghua Zhang, Huihui Kong, Jizi Liu, Ruoyu Song, Sinan Liu, Gang Sha, Yingang Wang, Qi Liu, Wei Liu, Peiyi Wang, Chain-Tsuan Liu, Yang Ren, Xun-Li Wang
Summary: Amorphous materials lack long-range order but exhibit ordered structures at short and medium range, with the nature of medium-range ordering often remaining elusive. A study of an intermediate crystalline cubic phase in a Pd-Ni-P amorphous alloy revealed a six-membered tricapped trigonal prism cluster (6M-TTP) as the medium-range ordered structure. The structural link between the amorphous and crystalline phases at the medium-range length scale was demonstrated, highlighting the role of 6M-TTP clusters in distinguishing crystalline and amorphous phases.
Article
Computer Science, Interdisciplinary Applications
Pipi Hu, Wuyue Yang, Yi Zhu, Liu Hong
Summary: In this study, a new type of interpretable network called the ordinary differential equation network (ODENet) is proposed to reveal the hidden dynamics in massive time-series data efficiently and reliably. ODENet combines the advantages of both machine learning algorithms and ODE modeling, making the framework more interpretable and enabling easy and efficient data handling, paralleling, and optimization.
JOURNAL OF COMPUTATIONAL PHYSICS
(2022)
Article
Physics, Multidisciplinary
Seung-Gyo Jeong, Sang-Hoon Han, Tae-Hwan Kim, Sangmo Cheon
Summary: In this study, the authors investigate hidden chiral domain wall states and their topological properties in a double-chain Su-Schrieffer-Heeger model and elucidate a series of single and double gap phases that occur by varying the dimerization and interchain coupling.
COMMUNICATIONS PHYSICS
(2023)
Article
Materials Science, Multidisciplinary
Duyu Chen, Xinyu Jiang, Duo Wang, Justine Ilyssa Vidallon, Houlong Zhuang, Yang Jiao
Summary: Medium-entropy alloys (MEAs) and high-entropy alloys (HEAs) are composed of mixtures of three or more elements in equal or relatively large proportions. They exhibit superior mechanical performance, unusual thermal and electronic transport properties, and resistance to corrosion. However, the atomic structures of these alloys are not well understood. In this study, a multihyperuniform (MH) model for disordered MEAs is developed, which suppresses composition fluctuations for atomic species and captures experimentally observed atomic short-range orders. The MH model provides predictions for lattice constants, electronic band gaps, and offers potential applications in optoelectronics and thermoelectrics.
Article
Materials Science, Ceramics
Kengo Nishio, Anh Khoa Augustin Lu
Summary: This study reveals a common structural feature associated with Laves phases in metallic glasses, which is expected to be found in a wide range of amorphous materials.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2024)
Article
Materials Science, Multidisciplinary
Longwen Tang, Morten M. Smedskjaer, Mathieu Bauchy
Summary: Based on molecular dynamics simulations, we investigate the relationship between the ductile-to-brittle transition of oxide glasses and the connectivity of the atomic network. We find that the transition is caused by the percolation of stressed-rigid atomic clusters. Additionally, our analysis shows the plastic dynamics of oxide glasses are similar to that of supercooled liquids, exhibiting strong correlations and spatial heterogeneity.
Article
Multidisciplinary Sciences
Ying Shi, Binghui Deng, Ozgur Gulbiten, Mathieu Bauchy, Qi Zhou, Joerg Neuefeind, Stephen R. Elliott, Nicholas J. Smith, Douglas C. Allan
Summary: Despite decades of studies, the nature of the glass transition remains elusive. Fragility, which describes the sharpness of dynamical arrest at the glass transition, is inversely correlated with the medium-range order structure characterized by the average medium-range distance (MRD). Low MRD values indicate an excess of unstable small network rings in glasses, which deform more readily with temperature changes and increase fragility.
NATURE COMMUNICATIONS
(2023)
Article
Materials Science, Multidisciplinary
Ying Shi, Binghui Deng, Jorg Neuefeind, Qi Zhou, Morten M. Smedskjaer, Stephen R. Elliott, Mathieu Bauchy
Summary: Atomic structure plays a crucial role in determining the physical properties of materials, including glasses. In this study, the researchers investigated the structure-property relationships in glasses by manipulating their density and hardness through thermal-annealing and pressure-quenching processes. Neutron total-scattering patterns were used to analyze the structural changes, and the results indicated that medium-range structure changes were closely correlated with the properties, specifically hardness.
PHYSICAL REVIEW MATERIALS
(2023)
Article
Nanoscience & Nanotechnology
Wei Fan, Lars R. Jensen, Yibing Dong, Abigail J. Deloria, Bengang Xing, Donghong Yu, Morten M. Smedskjaer
Summary: Superior flexibility and toughness can be achieved in bioactive hydrogels by using a double polymer network with complementary properties. In this study, polyacrylic acid (PAA) and sodium alginate (SA) were combined to obtain a dual-reinforced double interpenetrating network (d-DIPN) hydrogel. The reinforcement involved ionic cross-linking and introduction of SiO2 nanoparticles, leading to significant improvements in strength and toughness. Furthermore, the hydrogel exhibited swelling resistance, self-healing behavior, adhesive abilities, and shape memory performance. Despite a reduction in breakage strain and stress, the biocompatibility and bone cell proliferation ability of the hydrogel were improved through a mineralization process. Overall, this work provides a pathway for the design of strong and tough hydrogels with potential applications in biomedicine and tissue engineering.
ACS APPLIED BIO MATERIALS
(2023)
Article
Materials Science, Ceramics
Daming Sun, Qi Zhang, Pengfei Liu, Lars R. Jensen, Deyong Wang, Morten M. Smedskjaer
Summary: This study investigates the effect of crystallization on the mechanical and optical properties of barium titanosilicate glass-ceramics. It is found that crystallization increases the size and content of crystals, leading to improved fracture toughness and hardness but decreased transparency.
CERAMICS INTERNATIONAL
(2023)
Article
Materials Science, Ceramics
Johan F. S. Christensen, N. M. Anoop Krishnan, Mathieu Bauchy, Morten M. Smedskjaer
Summary: In this study, the effects of indenter sharpness and stiffness on the indentation response of oxide glasses were investigated. The study examined the glass deformation mechanism, cracking behavior, and hardness for three different glasses using five different indenters. The results showed that increased indenter sharpness reduced the indentation size effect and lowered crack initiation resistance, while the effect of indenter material was insignificant when the indenter was stiffer than the specimen.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2023)
Article
Materials Science, Multidisciplinary
Xuan Ge, Pingsheng Lai, Caijuan Shi, Xiaowei Xu, Jian Wang, Tao Du, Morten M. Smedskjaer, Dongliang Yang, Fan Yang, Wenquan Lu, Jingyu Qin, Jianguo Li, Qiaodan Hu
Summary: Annealed titanate glasses have a flexible network structure that can be modulated by annealing temperature, which is different from the structural changes in traditional network glasses. The rearrangement of the network in barium dititanate glass occurs in a non-monotonic, two-stage process. The irreversible change in network connectivity is attributed to the development of crystal-like cationic motifs.
Article
Materials Science, Multidisciplinary
Sajid Mannan, Mohd Zaki, Suresh Bishnoi, Daniel R. Cassar, Jeanini Jiusti, Julio Cesar Ferreira Faria, Johan F. S. Christensen, Nitya Nand Gosvami, Morten M. Smedskjaer, Edgar Dutra Zanotto, N. M. Anoop Krishnan
Summary: Using a curated dataset of over 3,000 inorganic glasses, we developed machine learning models to predict the composition and load dependence of Vickers hardness. When tested on new glass compositions unseen during training, the standard data-driven ML model failed. To address this gap, we combined an empirical expression with ML to develop a framework called SRIMP, which outperforms the data-driven ML model in predicting the indentation size effect. The deconvolution of hardness into load-dependent and load-independent terms provides a holistic understanding of the composition effect and ISE in glasses.
Article
Materials Science, Ceramics
Theany To, Alexandra A. K. R. K. Olsen, Bodil A. Hansen, Katrine M. Enevoldsen, Victor Lutken, Lars R. Jensen, Randall E. Youngman, Morten M. Smedskjaer
Summary: The role of Ga2O3 in oxide glasses is not well understood compared to other network forming oxides, so this study investigates the structure and mechanical properties of sodium gallioborate glasses and compares them to sodium aluminoborate glasses. The results show that the substitution of Ga2O3 for B2O3 increases the fraction of tetrahedral Ga units and decreases the fraction of tetrahedral B units. However, unlike in aluminoborate glasses, higher-coordinated polyhedra are not observed even in the pergallic region.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2023)
Article
Chemistry, Physical
Rasmus Christensen, Yossi Bokor Bleile, Soren S. Sorensen, Christophe A. N. Biscio, Lisbeth Fajstrup, Morten M. Smedskjaer
Summary: By using molecular dynamics simulations, we found that ZIF-76, compared to ZIF-4 and ZIF-62, retains more medium-range order structures during the melting process, leading to a higher porosity in its glass state after melt-quenching.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Transportation
Nicolai A. Weinreich, Daniel B. van Diepen, Federico Chiariotti, Christophe Biscio
Summary: The planning process for bike sharing systems is complex and requires knowledge of urban mobility patterns and local features. Dynamic rebalancing of bike sharing systems is expensive, making correct planning critical for economic viability. This study designs an automated planning pipeline to place stations in an area without direct knowledge of demand.
TRANSPORTMETRICA B-TRANSPORT DYNAMICS
(2023)
Article
Materials Science, Multidisciplinary
Yongbao Xiao, Tao Du, Soren S. Sorensen, Zhimin Chen, Christophe A. N. Biscio, Lisbeth Fajstrup, Mathieu Bauchy, Morten M. Smedskjaer
Summary: The medium-range order (MRO) structure of zinc phosphate glasses is studied using persistent homology (PH) method, and the contributions of different ring structures to the structure factor are decomposed.
PHYSICAL REVIEW MATERIALS
(2023)