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
Materials Science, Multidisciplinary
Takeshi Egami, Wojciech Dmowski, Chae Woo Ryu
Summary: In crystals, lattice defects, such as dislocations, control mechanical deformation. Similarly, it is widely believed that even in glasses and liquids some kinds of defects, strongly disordered regions, play a major role in deformation. Recent results raise questions about the assumption that short-range order (SRO) in the nearest-neighbor cage of atoms determines defects in glasses and liquids.
Article
Materials Science, Multidisciplinary
Songling Liu, Xinyu Luo, Jingshan Cao, Zhaoyuan Liu, Beibei Xu, Yonghao Sun, Weihua Wang
Summary: This study evaluates the chemical medium-range ordering in liquid alloys using persistent homology, and finds that in metallic glasses, this ordering is regulated by the activation and inhibition of the constituent components, resulting in a Turing pattern in the topology. The chemical medium-range ordering strongly depends on the elemental types.
MATERIALS TODAY PHYSICS
(2023)
Article
Materials Science, Multidisciplinary
Kamran Karimi, Amin Esfandiarpour, Rene Alvarez-Donado, Mikko J. Alava, Stefanos Papanikolaou
Summary: The shear-banding instability in quasistatically driven bulk metallic glasses emerges from collective dynamics mediated by shear transformation zones and associated nonlocal elastic interactions. The sharp structural features of shear bands are typically correlated to the sharpness of the plastic yielding transition in alloys composed of multiple different elements, and plastic yielding of bulk metallic glasses with similar element radii is highly dependent on compositional and ordering features. Short-range ordering of icosahedra clusters and strain localization are controlled by the interplay between composition-driven icosahedra-ordering and collectively-driven shear transformation zones.
Article
Chemistry, Physical
Stefan Michalik, Pal Jovari, Karel Saksl, Martin Durisin, Dusan Balga, Jacques Darpentigny, Michael Drakopoulos
Summary: Detailed information on the atomic arrangement of glassy Cu54Hf46, Cu61Hf39 and Cu69Hf31 alloys has been obtained through reverse Monte Carlo simulation using high-energy X-ray diffraction and neutron diffraction data. Cu-centered clusters exhibit stronger ordering compared to Hf-centered clusters, and Cu54Hf46 and Cu61Hf39 have better glass forming ability than Cu69Hf31.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Physics, Condensed Matter
Chunyu Han, Weiyu Yang, Yingkun Lan, Minhua Sun
Summary: In this study, the role of minor addition of Al in CuZrAl metallic glasses was investigated using molecular dynamics simulation. The results show that Al atoms tend to act as centers of icosahedron, increasing the fraction of full ICO and facilitating the formation of Bergman medium range order, leading to higher glass forming ability of CuZrAl metallic glasses. The enhancement mechanism of Al addition on Bergman MRO is explained by its adhesive effect on icosahedral clusters.
PHYSICA B-CONDENSED MATTER
(2021)
Article
Materials Science, Ceramics
P. Jovari, V Nazabal, C. Boussard, S. Cui, I Kaban, S. Michalik, M. A. Webb, D. Le Coq, R. Chernikov, N. Chen, J. Darpentigny
Summary: This study examined glasses with approximate compositions of GeTe4-Ag using multiple experimental techniques. By employing simulation techniques, the chemical correlations were determined. The results showed that Ge atoms were mainly fourfold coordinated, while Te atoms were predominantly twofold coordinated. Additionally, the addition of Ag did not alter the topology of the GeTe4 host network, and neighboring GeTe4 tetrahedra continued to predominantly exhibit corner sharing configuration.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2023)
Article
Materials Science, Multidisciplinary
Przemyslaw Dziegielewski, Georgos Evangelakis, Jerzy Antonowicz
Summary: Metallic glasses are amorphous solids with liquid-like atomic structure. In this study, molecular dynamics simulations were used to investigate the variations in short-to-medium-range order of three binary Zr-Cu metallic glasses under compression. The results showed structural similarities between different alloys under high pressure, and the topological short-to-medium-range order was found to be composition-independent.
COMPUTATIONAL MATERIALS SCIENCE
(2022)
Article
Materials Science, Multidisciplinary
Masato Shimono, Hidehiro Onodera
Summary: The atomic structure of medium-range order in metallic glasses has been investigated using molecular dynamics simulations. Two types of atomic clusters with five-fold symmetry, icosahedral clusters and Frank-Kasper clusters, were found in glassy phases. The formation of these clusters is enhanced by a considerable atomic size difference between alloying elements, and they are mainly connected in the network structure by volume sharing connections between I- and Z-clusters.
Article
Materials Science, Multidisciplinary
S. F. Wei, X. D. Wang, K. K. Qiu, T. D. Xu, Q. P. Cao, S. Q. Ding, D. X. Zhang, J. Z. Jiang
Summary: In this study, the origins of pronounced and unpronounced beta-relaxation behaviors in Y60Ni16Al24 and Y60Fe16Al24 metallic glasses were elucidated using experimental and theoretical approaches. The results indicate that the atomic dynamics of mobile atoms are not only related to their local geometry, but also to their chemical compositions.
Article
Chemistry, Physical
Yuan-wei Pu, Yong-chao Liang, Yun-fei Mo, Li-li Zhou, Ze-an Tian, Qian Chen, Li Zhang, Jia-jun Ma, Ting-hong Gao, Quan Xie
Summary: This study investigates the relationship between microstructures and mechanical properties of metallic glasses through simulation experiments. The results show that the volume of shear transformation zones (STZ) affects the plasticity of metallic glasses. The size of structural units and nanoclusters also influence the plasticity of metallic glasses. These findings provide theoretical guidance for improving the plasticity of metallic glasses.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Materials Science, Ceramics
M. El Ayoubi, A. Khmich, A. Samiri, A. Hasnaoui
Summary: In this study, molecular dynamics simulations were used to investigate the Medium-Range Order (MRO) in Mg-Al binary metallic glasses (MGs). The impact of cooling rate, composition, and mechanical solicitations on the structural properties at the MRO level was comprehensively studied. The results revealed that the 1-atom connection mode was consistently dominant across all cooling rates. Additionally, the influence of composition on the properties of MgxAl100-x alloys was found to be highly sensitive. The relationship between mechanical properties and connection modes during tensile deformation was also explored, with different connection modes exhibiting different hardness and stability.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2023)
Article
Materials Science, Ceramics
Gongji Yang, Longfei Liu, Jiaojiao Yi, Lingti Kong, Jinfu Li
Summary: The surface microstructure and atomic dynamic property of a metallic glass nano pillar were investigated using molecular dynamics simulations. It was found that the surface contains a large number of unstable bonded pairs and clusters, leading to a liquid-like structural property. The atomic mobility on the surface is significantly enhanced, and the overall degree of medium-range order is lower compared to the core region. The surface can be divided into three consecutive sublayers: solid-like layer, semisolid layer, and liquid-like layer.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2022)
Article
Materials Science, Multidisciplinary
Hui-Qiang Ying, Si-Nan Liu, Zhen-Duo Wu, Wei-Xia Dong, Jia-Cheng Ge, Horst Hahn, Virgil Provenzano, Xun-Li Wang, Si Lan
Summary: When an equiatomic multi-component alloy is quenched from its molten state down to room temperature, either a solid solution crystalline alloy or a metallic glass is formed. Short-range order in metallic glass resembles a body-centered cube structure, while the medium-range order is comprised of different orders. Different packing schemes at the medium-range scale play a critical role in the phase selection rule between an amorphous phase or solid solution.
Article
Materials Science, Multidisciplinary
Keita Nomoto, Bosong Li, Christoph Gammer, Anna Ceguerra, Huma Bilal, Anton Hohenwarter, Jurgen Eckert, Bernd Gludovatz, Simon P. Ringer, Jamie J. Kruzic
Summary: This study uses nanobeam electron diffraction to reveal the structural changes that occur after deformation in two Zr-based bulk metallic glasses (BMGs). The findings show that heavy deformation leads to an increase in the size of fcc-like medium-range order (MRO) clusters, resulting in local softening of the BMGs.
PHYSICAL REVIEW MATERIALS
(2022)
Article
Chemistry, Physical
C. Tang, C. H. Wong
Article
Physics, Applied
A. Garg, V. Vijayaraghavan, C. H. Wong, K. Tai, Pravin M. Singru, S. S. Mahapatra, K. S. Sangwan
INTERNATIONAL JOURNAL OF MODERN PHYSICS B
(2015)
Article
Engineering, Mechanical
B. Li, C. H. Wong
TRIBOLOGY INTERNATIONAL
(2015)
Article
Chemistry, Physical
C. Tang, C. H. Wong
Article
Engineering, Industrial
M. X. Gan, C. H. Wong
JOURNAL OF MATERIALS PROCESSING TECHNOLOGY
(2016)
Article
Chemistry, Physical
Z. K. J. Kok, C. H. Wong
MOLECULAR SIMULATION
(2016)
Article
Materials Science, Multidisciplinary
Hari Krishna Salila Vijayalal Mohan, Reinack Hansen Varghese, Chee How Wong, Lianxi Zheng, Jinglei Yang
ORGANIC ELECTRONICS
(2016)
Article
Materials Science, Multidisciplinary
K. Q. Le, C. Tang, C. H. Wong
Article
Engineering, Manufacturing
V. Vijayaraghavan, A. Garg, C. H. Wong, K. Tai, Srinivasa Prakash Regalla, M. C. Tsai
PROCEEDINGS OF THE INSTITUTION OF MECHANICAL ENGINEERS PART B-JOURNAL OF ENGINEERING MANUFACTURE
(2016)
Article
Engineering, Mechanical
V. Vijayaraghavan, A. Garg, C. H. Wong, K. Tai, Pravin M. Singru
INTERNATIONAL JOURNAL OF MECHANICS AND MATERIALS IN DESIGN
(2015)
Article
Materials Science, Multidisciplinary
J. L. Tan, C. Tang, C. H. Wong
MRS COMMUNICATIONS
(2018)
Article
Engineering, Industrial
Q. Y. Lu, N. Nguyen, A. J. W. Hum, T. Tran, C. H. Wong
JOURNAL OF MATERIALS PROCESSING TECHNOLOGY
(2019)
Article
Engineering, Industrial
C. Wang, X. P. Tan, Z. Du, S. Chandra, Z. Sun, C. W. J. Lim, S. B. Tor, C. S. Lim, C. H. Wong
JOURNAL OF MATERIALS PROCESSING TECHNOLOGY
(2019)
Proceedings Paper
Engineering, Biomedical
J. L. Tan, C. H. Wong
PROCEEDINGS OF THE 2ND INTERNATIONAL CONFERENCE ON PROGRESS IN ADDITIVE MANUFACTURING (PRO-AM 2016)
(2016)
Proceedings Paper
Engineering, Biomedical
Mingxuan Gan, Wong Chee How
PROCEEDINGS OF THE 2ND INTERNATIONAL CONFERENCE ON PROGRESS IN ADDITIVE MANUFACTURING (PRO-AM 2016)
(2016)
Article
Nanoscience & Nanotechnology
Jie Zhang, Xiaoyang Chen, MingJian Ding, Jiaqiang Chen, Ping Yu
Summary: This study enhances the compositional inhomogeneity of relaxor ferroelectric thin films to improve their dielectric temperature stability. The prepared films exhibit a relatively high dielectric constant and a very low variation ratio of dielectric constant over a wide temperature range.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Xiaoyu Chen, Ranran Zhang, Hao Zou, Ling Li, Qiancheng Zhu, Wenming Zhang
Summary: Polyaniline-manganese dioxide composites exhibit high conductivity, long discharge platform, and stable circulation, and the specific capacity is increased by providing additional H+ ions to participate in the reaction.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Xutao Huang, Yinping Chen, Jianjun Wang, Gang Lu, Wenxin Wang, Zan Yao, Sixin Zhao, Yujie Liu, Qian Li
Summary: This study aims to establish a novel approach to better understand and predict the behavior of materials with multi-scale lamellar microstructures. High-resolution reconstruction and collaborative characterization methods are used to accurately represent the microstructure. The mechanical properties of pearlite are investigated using crystal plasticity simulation and in-situ scanning electron microscopy tensile testing. The results validate the reliability of the novel strategy.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Cheng Chen, Fanchao Meng, Jun Song
Summary: This study systematically investigated the unfaulting mechanism of single-layer interstitial dislocation loops in irradiated L12-Ni3Al. The unfaulting routes of the loops were uncovered and the symmetry breaking during the unfaulting processes was further elucidated. A continuum model was formulated to analyze the energetics of the loops and predict the unfaulting threshold.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Darshan Bamney, Laurent Capolungo
Summary: This work investigates the formation of adjoining twin pairs (ATPs) at grain boundaries (GBs) in hexagonal close-packed (hcp) metals, focusing on the co-nucleation (CN) of pairs of deformation twins. A continuum defect mechanics model is proposed to study the energetic feasibility of CN of ATPs resulting from GB dislocation dissociation. The model reveals that CN is preferred over the nucleation of a single twin variant for low misorientation angle GBs. Further analysis considering GB character and twin system alignment suggests that CN events could be responsible for ATP formation even at low m' values.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Bing Han, Zhengqian Fu, Guoxiang Zhao, Xuefeng Chen, Genshui Wang, Fangfang Xu
Summary: This study investigates the behavior of electric-field induced antiferroelectric to ferroelectric (AFE-FE) phase transition and reveals the evolution of atomic displacement ordering as the cause for the transition behavior changing from sharp to diffuse. The novel semi-ordered configuration results from the competing interaction between long-range displacement modulation and compositional inhomogeneity, which leads to a diffuse AFE-FE transition while maintaining the switching field.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Akib Jabed, Golden Kumar
Summary: This study demonstrates that cryogenic rejuvenation promotes homogeneous-like flow and increases ductility in metallic glass samples. Conversely, annealing has the opposite effect, resulting in a smoother fracture surface.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Xin Ji, Yan Chong, Satoshi Emura, Koichi Tsuchiya
Summary: A heterogeneous microstructure in Ti-15Mo-3Al alloy with heterogeneous distributions of Mo element and omega(iso) precipitates has achieved a four-fold increase in tensile ductility without a loss of tensile strength, by blocking the propagation of dislocation channels and preventing the formation of micro-cracks.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Amit Samanta, Prasanna Balaprakash, Sylvie Aubry, Brian K. Lin
Summary: This study proposes a combined large-scale first principles approach with machine learning and materials informatics to quickly explore the chemistry-composition space of advanced high strength steels (AHSS). The distribution of aluminum and manganese atoms in iron is systematically explored using first principles calculations to investigate low stacking fault energy configurations. The use of an automated machine learning tool, DeepHyper, speeds up the computational process. The study provides insights into the distribution of aluminum and manganese atoms in systems containing stacking faults and their effects on the equilibrium distribution.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Guowei Zhou, Yuanzhe Hu, Zizheng Cao, Myoung Gyu Lee, Dayong Li
Summary: In this work, a physics-constrained neural network is used to predict grain-level responses in FCC material by incorporating crystal plasticity theory. The key feature, shear strain rate of slip system, is identified based on crystal plasticity and incorporated into the loss function as physical constitutive equations. The introduction of physics constraints accelerates the convergence of the neural network model and improves prediction accuracy, especially for small-scale datasets. Transfer learning is performed to capture complex in-plane deformation of crystals with any initial orientations, including cyclic loading and arbitrary non-monotonic loading.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Pengfei Yang, Qichang Li, Zhongying Wang, Yuxiao Gao, Wei Jin, Weiping Xiao, Lei Wang, Fusheng Liu, Zexing Wu
Summary: In this study, the HER performance of Ru-based catalysts is significantly improved through the dual-doping strategy. The obtained catalyst exhibits excellent performance in alkaline freshwater and alkaline seawater, and can be stably operated in a self-assembled overall water splitting electrolyzer.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Ilias Bikmukhametov, Garritt J. Tucker, Gregory B. Thompson
Summary: Depositing a Ni-1at. % P film can facilitate the formation of multiple quintuple twin junctions, resulting in a five-fold twin structure and a pentagonal pyramid surface topology. The ability to control material structures offers opportunities for creating novel surface topologies, which can be used as arrays of field emitters or textured surfaces.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Zening Yang, Weiwei Sun, Zhengyu Sun, Mutian Zhang, Jin Yu, Yubin Wen
Summary: Multicomponent oxides (MCOs) have wide applications and accurately predicting their thermal expansion remains challenging. This study introduces an innovative attention-based deep learning model, which achieves improved performance by using two self-attention modules and demonstrates adaptability and interpretability.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Ze Liu, Cai Chen, Yuanxun Zhou, Lanting Zhang, Hong Wang
Summary: This study attempts to address the gap in cooling rates between thin film deposition and bulk metallic glass (BMG) casting by correlating the glass-forming range (GFR) determined from combinatorial materials chips (CMCs) with the glass-forming ability (GFA) of BMG. The results show that the full-width at half maximum (FWHM) of the first sharp diffraction peak (FSDP) is a good indicator of BMG GFA, and strong positive correlations between FWHM and the critical casting diameter (Dmax) are observed in various BMG systems. Furthermore, the Pearson correlation coefficients suggest possible similarities in the GFA natures of certain BMG pairs.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Mike Schneider, Jean-Philippe Couzinie, Amin Shalabi, Farhad Ibrahimkhel, Alberto Ferrari, Fritz Koermann, Guillaume Laplanche
Summary: This work aims to predict the microstructure of recrystallized medium and high-entropy alloys, particularly the density and thickness of annealing twins. Through experiments and simulations, a database is provided for twin boundary engineering in alloy development. The results also support existing theories and empirical relationships.
SCRIPTA MATERIALIA
(2024)
