Article
Multidisciplinary Sciences
Nicolas Amigo, Simon Palominos, Felipe J. Valencia
Summary: This study employed machine learning models to predict the plastic properties in CuZr metallic glasses. Molecular dynamics simulations were conducted for 100 different samples, and statistical analysis was performed on 17 materials properties. Strong correlations were found between stoichiometry, temperature, structural, and elastic properties with plastic properties. Three regression models were used for prediction, and linear and Ridge regressions showed better performance with coefficients of determination above 80% for three plastic properties. Lasso regression had lower performance with coefficients of determination above 60% for two plastic properties. Overall, this work demonstrates that molecular dynamics simulations combined with machine learning models can provide a framework for predicting the plastic behavior of complex materials.
SCIENTIFIC REPORTS
(2023)
Article
Chemistry, Physical
Xiaoqian Lu, Shidong Feng, Lin Li, Li-Min Wang, Riping Liu
Summary: This study tackles the challenge of identifying defects in metallic glasses by using atomic vibrational entropy from a thermodynamic perspective. The study reveals the critical role of vibrational entropy in bridging dynamics, thermodynamics, and structure in metallic glasses. The local vibrational entropy obtained by coarse-graining the atomic vibrational entropy in space effectively distinguishes between liquid-like and solid-like atoms and establishes a correlation with the structure of metallic glasses, offering a route to predict plastic events.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Metallurgy & Metallurgical Engineering
Guan Pengfei, Sun Shengjun
Summary: The limitations of experimental research technologies make it challenging to study the atomic-level behaviors of amorphous alloys. Computational simulation is a powerful tool for understanding amorphous structures, but there is still a gap between the model systems used in simulation and real materials. Developing highly effective computational approaches is a potential way to address this challenge.
ACTA METALLURGICA SINICA
(2021)
Article
Materials Science, Multidisciplinary
Tianding Xu, Xiao-Dong Wang, Eric M. Dufresne, Yang Ren, Qingping Cao, Dongxian Zhang, Jian-Zhong Jiang
Summary: Anomalous fast atomic dynamics were discovered in a metallic glass with good glass forming ability, mainly attributed to the increased mobility of Cu atoms by Ag addition, leading to the formation of structural heterogeneity at the atomic level.
MATERIALS TODAY PHYSICS
(2021)
Article
Materials Science, Multidisciplinary
Yongwei Wang, Herbert Gleiter, Mo Li
Summary: Monolithic metallic glass is a quasi-brittle material with little plasticity on a continuum scale, but tremendous local plasticity in nano- and micron scales. By introducing microstructures into the structureless glasses, the macroscopic plasticity and toughness can be enhanced. The toughness and hardness of granular metallic glass can be increased by tuning the grain-boundary width, amount of free volumes, and grain size.
Article
Physics, Multidisciplinary
Hui Wang, Wojciech Dmowski, Yang Tong, Zengquan Wang, Yoshihiko Yokoyama, Jittisa Ketkaew, Jan Schroers, Takeshi Egami
Summary: This study suggests that the plasticity of metallic glasses is related to the local atomic rearrangements under stress, rather than their atomic structure directly. By conducting experiments on various bulk metallic glasses, researchers found that the extent of local deviation from affine deformation within the elastic regime is strongly correlated with the plastic behavior of metallic glasses beyond yield.
PHYSICAL REVIEW LETTERS
(2022)
Article
Metallurgy & Metallurgical Engineering
Pan Jie, Duan Fenghui
Summary: Metallic glasses are a subject of interest in condensed physics and materials science due to their unique structure and properties. Rejuvenation is a process that transforms the material back to a higher-energy state, significantly expanding the energy range and improving deformation capability.
ACTA METALLURGICA SINICA
(2021)
Article
Chemistry, Physical
Y. S. Luo, J. J. Li, Z. Wang, M. Zhang, J. W. Qiao
Summary: Based on a simple mean-field model, two distinct types of slip avalanches in serrated plastic flows of bulk metallic glasses were identified to differentiate the slipping modes of shear bands under various strain rates. Small avalanches propagate progressively, while large avalanches follow a simultaneous propagation. By defining a weakening parameter and critical size, researchers were able to characterize the completely disparate shearing modes, with larger weakening and lower critical sizes indicating more activated shear transformation zones, offering a new method to explore plasticity in bulk metallic glasses.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Physics, Multidisciplinary
Huaping Sheng, Daniel Sopu, Simon Fellner, Jurgen Eckert, Christoph Gammer
Summary: By using high-resolution microscopy techniques, we quantitatively mapped the atomic density and strain distribution of individual shear bands, revealing the complex characteristics of shear bands. Shear bands exhibit density alternation and complex strain fields, which can cause segmentation and deflection of the shear bands.
PHYSICAL REVIEW LETTERS
(2022)
Article
Chemistry, Physical
Ming-fei Li, Da-peng Wang, Babafemi Malomo, Liang Yang
Summary: This study investigated the deformation behavior of annealed metallic glass (MG) through synchrotron radiation-based experiments and molecular dynamics simulations. The results revealed that annealed MGs have higher maximum strength and poor plasticity due to the higher temperatures from the annealing treatment. The deformation behavior is influenced by microstructural parameters, and annealing-induced structural changes significantly affect the overall deformation behavior.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Chemistry, Physical
Hongbo Zhou, Laiquan Shen, Baoan Sun, Weihua Wang
Summary: Metallic glasses have unique mechanical properties due to their disordered structure. Understanding the atomic mechanisms of shear banding behavior is important for improving their mechanical properties. This review provides an overview of shear band nucleation, propagation, and interaction, as well as the dynamics and properties of mature shear bands. The fracture mechanism based on cavity development is also discussed, and key unsolved issues in this field are identified.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Physical
Jiacheng Zhang, Pengfei Gao, Weixu Zhang
Summary: In this study, molecular dynamics simulations were used to investigate the effects of hydrogen doping on the atomic structure, mechanical properties, and relaxation behavior of H-doped Ni50Al50 metallic glasses. The properties of H-doped MGs were found to depend not only on the hydrogen content but also on the doping method. Doping H atoms into the molten state resulted in loose atomic structures, homogeneous deformation, and enhanced beta relaxation. On the other hand, doping H atoms into as-cast MGs affected the atomic structure and mechanical properties. A small number of H atoms had little impact on the elastic matrix, while a large number of H atoms caused a decrease in strength and a shift from shear band to homogeneous deformation.
Article
Materials Science, Ceramics
Wenfei Lu, Jo-Chi Tseng, Aihan Feng, Jun Shen
Summary: The study aimed to clarify the structural origin of the enhancement in glass-forming ability of binary NiNb metallic glasses. Ni62.5Nb37.5 alloy exhibited the best glass-forming ability and the densest atomic-packing structure among the four components, with a larger fraction of full icosahedral clusters. The glass structure in Ni62.5Nb37.5 MG was a heterogeneous mixture of interpenetrating icosahedral clusters, forming a chain-like network structure in the matrix. These Ni-centered icosahedra polyhedra played an essential role in controlling GFA.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2021)
Article
Chemistry, Physical
C. Ammari, M. A. Yousfi, K. Hajlaoui, K. Georgarakis
Summary: Shear-induced nanocrystallization in bent ribbons of Pd40Cu30Ni10P20 metallic glass was quantitatively investigated using synchrotron radiation, revealing a strong correlation between shear-induced nanocrystallization and the microstructure of shear bands in amorphous alloys. A constitutive model based on free volume approach was introduced to describe the kinetics of mechanically induced nanocrystallization, with physical and mechanical parameters governing the phenomena of shear-induced crystallization in metallic glasses determined through fitting the model to experimental data.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Engineering, Mechanical
K. Tao, V. A. Khonik, J. C. Qiao
Summary: In this study, the effects of the structural energy states of Zr50Cu40Al10 metallic glass on its performance were investigated using depth-sensing nanoindentation. The shear transformation zone volume of the relaxed metallic glass is larger than that of as-cast one, while the strain rates sensitivity displays the opposite tendency. The plastic deformation in the creep stage of nanoindentation originates from the delayed plasticity inherited from the loading process. The creep depth shows strain rates and microstructural states dependence.
INTERNATIONAL JOURNAL OF MECHANICAL SCIENCES
(2023)
Article
Chemistry, Physical
Yuan-Chao Hu, Bao-Shuang Shang, Peng-Fei Guan, Yong Yang, Hai-Yang Bai, Wei-Hua Wang
JOURNAL OF CHEMICAL PHYSICS
(2016)
Article
Nanoscience & Nanotechnology
Y. C. Wu, B. Wang, Y. C. Hu, Z. Lu, Y. Z. Li, B. S. Shang, W. H. Wang, H. Y. Bai, P. F. Guan
SCRIPTA MATERIALIA
(2017)
Article
Materials Science, Ceramics
Nannan Ren, Baoshuang Shang, Pengfei Guan, Lina Hu
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2018)
Article
Physics, Multidisciplinary
Baoshuang Shang, Jorg Rottler, Pengfei Guan, Jean-Louis Barrat
PHYSICAL REVIEW LETTERS
(2019)
Article
Multidisciplinary Sciences
Jiang Ma, Can Yang, Xiaodi Liu, Baoshuang Shang, Quanfeng He, Fucheng Li, Tianyu Wang, Dan Wei, Xiong Liang, Xiaoyu Wu, Yunjiang Wang, Feng Gong, Pengfei Guan, Weihua Wang, Yong Yang
Article
Multidisciplinary Sciences
Baoshuang Shang, Pengfei Guan, Jean-Louis Barrat
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2020)
Article
Materials Science, Multidisciplinary
B. Wang, L. J. Wang, B. S. Shang, X. Q. Gao, Y. Yang, H. Y. Bai, M. X. Pan, W. H. Wang, P. F. Guan
Article
Materials Science, Multidisciplinary
Baoshuang Shang, Weihua Wang, Alan Lindsay Greer, Pengfei Guan
Summary: Thermal cycling in metallic glasses can induce rejuvenation and relaxation, gradually erasing the initial glass structure through local atomic rearrangements. Molecular dynamics simulations reproduce physically observed effects, suggesting potential for optimizing properties of metallic glasses through thermal cycling.
Article
Materials Science, Multidisciplinary
Baoshuang Shang, Weihua Wang, Pengfei Guan
Summary: This study explores the polarized plastic response of metallic glasses induced by asymmetric mechanical cycling. The results show that the amplitude of mechanical cycling can control the anelastic limit, and the plastic rearrangements exhaust while the anelastic rearrangements govern the anisotropy. The polarized plastic response is originated from the asymmetry of the local potential energy surface.
Article
Materials Science, Ceramics
Bing Wang, BaoShuang Shang, XuanQiao Gao, YiTao Sun, JiChao Qiao, WeiHua Wang, MingXiang Pan, PengFei Guan
Summary: The competition between crystallization and vitrification is crucial to the understanding of liquid-glass transition. Differences in atomic packing features in the transition region between crystalline grains and supercooled liquid contribute to distinct crystallization rates of bcc and fcc pure metals, revealing the important role of interface energy in determining crystal growth rate and glass forming ability.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2022)
Article
Multidisciplinary Sciences
Yong Zhao, Baoshuang Shang, Bo Zhang, Xing Tong, Haibo Ke, Haiyang Bai, Wei-Hua Wang
Summary: This study demonstrates that a Ce-based metallic glass can transform into a hyperstable state and exhibit strong resistance against crystallization after long-term aging. The achieved hyperstable state is similar to that of million-year-aged amber, and the Ce-based metallic glass can reach equilibrium liquid state below T-g without crystallization.
Article
Materials Science, Multidisciplinary
Baoshuang Shang, Noel Jakse, Pengfei Guan, Weihua Wang, Jean-louis Barrat
Summary: The effect and mechanism of oscillatory loading on the nucleation process in metallic glasses are investigated using molecular dynamics simulation. A fitting formula is proposed to describe the simulation data quantitatively. The key parameter to control the evolution of the time-temperature-transformation curve under oscillatory loading is found to be the elastic stress, rather than the strain rate. Oscillatory loading can decouple the mobility and nucleation in the deeply supercooled liquid, enhancing deformation ability while suppressing nucleation, which is beneficial for the forming and manufacturing of metallic glasses.
Article
Materials Science, Multidisciplinary
Chaoqun Pei, Jiuyuan Xie, Yong Zhao, Haibo Ke, Bo Zhang, Baoshuang Shang, Tao Feng, Baoan Sun, Weihua Wang
Summary: In this study, a hidden and universal relaxation mode (termed alpha' relaxation) was discovered in metallic glasses, which appears between alpha relaxation and relaxation. The excitation of the alpha' relaxation mode is found to be controlled by the energy state and the local potential energy topology. It was also observed that the activation energy and nonmonotonic behavior of alpha' relaxation reveal its intrinsic connection with alpha relaxation and relaxation. Furthermore, it was shown that the excitation of the alpha' relaxation mode can notably improve the homogeneous tensile deformability of metallic glasses.
Article
Materials Science, Multidisciplinary
Baoshuang Shang, Pengfei Guan, Jean-Louis Barrat
JOURNAL OF PHYSICS-MATERIALS
(2018)
Article
Physics, Multidisciplinary
Guan Peng-Fei, Wang Bing, Wu Yi-Cheng, Zhang Shan, Shang Bao-Shuang, Hu Yuan-Chao, Su Rui, Liu Qi
ACTA PHYSICA SINICA
(2017)