Article
Chemistry, Physical
Ming Yang, Wenyue Li, Xiongjun Liu, Hui Wang, Yuan Wu, Xianzhen Wang, Fei Zhang, Qiaoshi Zeng, Dong Ma, Haihui Ruan, Zhaoping Lu
Summary: This study demonstrates the significance of configurational entropy (S-conf) in the glass transition process through experimental and simulation results. A higher S-conf leads to a more stable and ordered glass structure.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Multidisciplinary Sciences
Jing Jiang, Zhen Lu, Jie Shen, Takeshi Wada, Hidemi Kato, Mingwei Chen
Summary: The study reveals that high entropy metallic glasses exhibit a depressed dynamical glass transition phenomenon, with HEMGs having moderate calorimetric T-g showing the highest T-alpha and the maximum activation energy of alpha-relaxation. This decoupling of glass transitions from thermal and mechanical measurements demonstrates the impact of high configurational entropy on the structure and dynamics of supercooled liquids and metallic glasses.
NATURE COMMUNICATIONS
(2021)
Article
Chemistry, Multidisciplinary
Darkhan Yerezhep, Aigerim Akylbayeva, Oleg Golikov, Dmitriy Yurievich Sokolov, Ainura Shinbayeva, Abdurakhman U. Aldiyarov
Summary: This study investigates the structural phase transitions in thin films of R134A using Fourier-transform infrared spectroscopy. Multiple structural phase states, including glassy forms, were observed. The shifts in absorption band peaks at frequencies of 842 cm(-1), 965 cm(-1), and 958 cm(-1), as well as at frequencies of 1055 cm(-1), 1170 cm(-1), and 1280 cm(-1), between temperatures of 80 K and 84 K indicate structural phase transformations in the samples.
Article
Multidisciplinary Sciences
Hua Tong, Hajime Tanaka
Summary: Understanding the structural ordering upon slow cooling in the absence of crystallization or phase separation is crucial for understanding glass transition. We found that the exotic compositional order has a direct impact on the structural relaxation dynamics, even without any thermodynamic signature. This raises fundamental questions about the role of unconventional structural ordering in glass transition.
NATURE COMMUNICATIONS
(2023)
Article
Materials Science, Multidisciplinary
Tianding Xu, Xiao-Dong Wang, Eric M. Dufresne, Yang Ren, Qingping Cao, Dongxian Zhang, Jian-Zhong Jiang
Summary: The shape memory effect (SME) is found in annealed metallic glasses (MGs), where atoms can return to low-energy configurations through heating, extending the potential applications of MGs as functional materials.
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
Multidisciplinary Sciences
Cecilia Herrero, Camille Scalliet, M. D. Ediger, Ludovic Berthier
Summary: The discovery of ultrastable glasses presents new challenges in understanding glassy systems. Recent experiments have studied the macroscopic devitrification of ultrastable glasses into liquids upon heating, but lacked microscopic resolution. By using molecular dynamics simulations, we analyze the kinetics of this transformation. Our study elucidates the nonequilibrium kinetics of glasses following a large temperature jump, which differs from both equilibrium relaxation and aging dynamics, and will guide future experimental studies.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2023)
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
Physics, Multidisciplinary
Sangwoo Kim, Sascha Hilgenfeldt
Summary: This article investigates the metastable states in two-dimensional particle packings and classifies their energies using simple scalar measures of local steric packing. The study finds that these metastable states are insensitive to the particle interaction potential and can be used to efficiently guide a modified swap algorithm that quickly anneals packings towards low-energy metastable states. The approach also identifies ultrastable packings.
PHYSICAL REVIEW LETTERS
(2022)
Article
Multidisciplinary Sciences
Walter Schirmacher, Taras Bryk, Giancarlo Ruocco
Summary: This study investigates the instantaneous normal mode spectrum of a simulated soft-sphere liquid at different equilibrium temperatures. The findings reveal a sharp maximum near (but not at) lambda = 0 in the spectrum of eigenvalues rho(lambda), which decreases monotonically with |lambda| on both stable and unstable sides. The temperature strongly affects the spectral shape, with asymmetry at low temperatures and symmetry at high temperatures. A mean-field theory for rho(lambda) based on a heterogeneous elasticity model is proposed and shows good agreement with simulation data.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2022)
Article
Physics, Applied
Murat Celtek
Summary: The microstructural evolutions and dynamic properties of the Zr77Rh23 alloy during rapid cooling process were investigated through molecular dynamics simulations. The results show the formation and development of medium-range order (MRO) in the alloy, and that Zr atoms have higher mobility than Rh atoms.
JOURNAL OF APPLIED PHYSICS
(2022)
Article
Multidisciplinary Sciences
Luyao Li, Xin Li, Zhiyuan Huang, Jinbiao Huang, Zehang Liu, Jianan Fu, Wenxin Wen, Yu Zhang, Shike Huang, Shuai Ren, Jiang Ma
Summary: Joining metals under liquid has significant implications in various industries and applications. This study presents a method to successfully join different metallic glasses under water, seawater, alcohol, and liquid nitrogen, enabling efficient and strong connections even in extreme environments.
NATURE COMMUNICATIONS
(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
Chemistry, Physical
Pallabi Das, Anshul D. S. Parmar, Srikanth Sastry
Summary: A major challenge in simulating glassy systems is how to generate equilibrium configurations at sufficiently low temperatures. This study explores the possibility of using mechanical shear deformation to generate low energy configurations in a model glass former. The results show that shear deformation can induce faster relaxation to low energy configurations at low temperatures, but does not speed up the relaxation process at temperatures where steady state can be reached.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Materials Science, Multidisciplinary
J. Ding, L. Li, N. Wang, L. Tian, M. Asta, R. O. Ritchie, T. Egami
Summary: This study investigates the local structural evolutions in the beta relaxation process of metallic glasses through atomistic simulations, revealing universal melt-like features in the saddle states of the PEL. The short-lived local melting at the saddle point is found to wipe out prior thermal history, providing an explanation for the decoupling of activation and relaxation stages in the b process. These findings emphasize the importance of understanding the nature of saddle states in elucidating system dynamics and raise questions about the current view on system evolution in the PEL.
MATERIALS TODAY PHYSICS
(2021)
Article
Materials Science, Multidisciplinary
Yeqiang Bu, Yuan Wu, Zhifeng Lei, Xiaoyuan Yuan, Honghui Wu, Xiaobin Feng, Jiabin Liu, Jun Ding, Yang Lu, Hongtao Wang, Zhaoping Lu, Wei Yang
Summary: This study captured the dynamic interaction between LCFs and dislocations in ductile BCC HfNbTiZr HEAs, demonstrating how LCFs influence strength and ductility by promoting dislocation interaction. The observed double cross-slips caused by LCFs homogenously distribute dislocations onto various atomic planes, contributing to ductilization in HfNbTiZr. These findings offer insights into the deformation mechanisms of HEAs and suggest new strategies for designing ductile BCC HEAs.
Article
Chemistry, Physical
Yuecun Wang, Jun Ding, Zhao Fan, Lin Tian, Meng Li, Huanhuan Lu, Yongqiang Zhang, En Ma, Ju Li, Zhiwei Shan
Summary: The study reveals an unusual tension-compression asymmetry in submicrometre-sized samples of isotropic amorphous silicon, with the reduction in shear modulus and densification of shear-activated configuration under compression leading to abnormal asymmetry in yield strength and anelasticity.
Article
Multidisciplinary Sciences
Sheng Yin, Yunxing Zuo, Anas Abu-Odeh, Hui Zheng, Xiang-Guo Li, Jun Ding, Shyue Ping Ong, Mark Asta, Robert O. Ritchie
Summary: The presence of short-range order influences the mobility of dislocations in high-entropy alloys, with edge dislocations being enhanced and double-kink nucleation in screw dislocations being reduced. A cross-slip locking mechanism is observed for the motion of screws, providing extra strengthening for refractory high-entropy alloy system.
NATURE COMMUNICATIONS
(2021)
Article
Physics, Applied
Bozhao Zhang, Jun Ding, En Ma
Summary: Through detailed density functional theory-based Monte Carlo simulations, we have explored the characteristic chemical short-range order (CSRO) in the TiZrHfNb alloy, a representative body-centered-cubic refractory high-entropy alloy (HEA). The preference for Ti-Zr and Nb-Hf nearest-neighbor environments was observed, leading to the formation of (Ti,Zr,O)-enriched ordered complexes. Additionally, small but noticeable changes in key material parameters, such as elastic moduli, misfit volume, and predicted yield strength, were reported due to the presence of CSROs, providing valuable structure-property information for enhancing the design of highly concentrated HEA solid solutions.
APPLIED PHYSICS LETTERS
(2021)
Article
Chemistry, Physical
Jing Gao, Jun Ding, Yin Zhang, Ting Zhu, Qian Yu
Summary: In-situ environmental transmission electron microscopy observations were conducted on high-entropy alloy nanoparticles to investigate their dynamic oxidation processes. The study revealed that different alloy compositions can lead to different oxidation products and behaviors. The results demonstrate that oxidation processes are non-equilibrium and strongly influenced by nanoparticle size and surface area.
Article
Multidisciplinary Sciences
Jingyuan Yan, Sheng Yin, Mark Asta, Robert O. Ritchie, Jun Ding, Qian Yu
Summary: This study investigates the influence of compositional heterogeneity in high-entropy alloys (HEAs) on their mechanical properties. The results show that, as the sample size decreases below a certain threshold, a transition in the mechanical properties of HEAs occurs due to the size effect of compositional heterogeneity.
NATURE COMMUNICATIONS
(2022)
Article
Materials Science, Multidisciplinary
Kaihui Xun, Bozhao Zhang, Qi Wang, Zhen Zhang, Jun Ding, En Ma
Summary: Multi-principal element solid solutions are prone to developing local chemical inhomogeneities, which can impact their mechanical properties.
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
(2023)
Article
Materials Science, Multidisciplinary
Yu Chen, Jun Ding, Zhen-Dong Sha
Summary: Tailoring heterogeneities in amorphous alloys can effectively enhance the strength-ductility synergy. The grain size and heterogeneous chemical composition have significant effects on the mechanical properties of Mg-Cu nanoglasses. Reduced grain size improves plasticity but sacrifices strength in single-phase nanoglasses, and the mechanical properties of dual-phase nanoglasses depend critically on the fraction of the softer phase. Properly designing the heterogeneous composition can achieve a balance between strength and plasticity.
FRONTIERS IN MATERIALS
(2022)
Article
Multidisciplinary Sciences
Zhen Zhang, Jun Ding, Evan Ma
Summary: Plastic flow in metallic glasses is not caused by identifiable local defect regions. Through a realistic model, we found that shear transformations involve only a small percentage of atoms and their locations and distribution vary under different mechanical loading conditions.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2022)
Article
Nanoscience & Nanotechnology
Bing Chen, Suzhi Li, Jun Ding, Xiangdong Ding, Jun Sun, En Ma
Summary: This study found that lattice distortion affects the mobility of dislocations in body-centered-cubic multi-principal element alloys. Lattice distortion influences the activation of kink nucleation and propagation for screw dislocation motion, as well as the strength of local pinning for edge dislocations. The lattice distortion can be used as an indicator to correlate with the reported brittleness of these alloys.
SCRIPTA MATERIALIA
(2023)
Article
Chemistry, Physical
Liang Wang, Jun Ding, Songshen Chen, Ke Jin, Qiuhong Zhang, Jiaxiang Cui, Benpeng Wang, Bing Chen, Tianyi Li, Yang Ren, Shijian Zheng, Kaisheng Ming, Wenjun Lu, Junhua Hou, Gang Sha, Jun Liang, Lu Wang, Yunfei Xue, En Ma
Summary: This study presents a strategy to tailor planar-slip bands in a bcc high-entropy alloy, achieving significant uniform tensile ductility and high yield strength. By designing appropriate alloying elements, local chemical order and lattice distortion can be tuned, influencing the evolution of planar-slip bands and enabling a unique synergy of strength and ductility in bcc high-entropy alloys.
Article
Multidisciplinary Sciences
Zhen Zhang, Zhengxiong Su, Bozhao Zhang, Qin Yu, Jun Ding, Tan Shi, Chenyang Lu, Robert O. Ritchie, Evan Ma
Summary: High-entropy alloys have been identified as potentially suitable structural materials for nuclear applications due to their promising radiation resistance. Recent studies have discovered the presence of local chemical order (LCO) in these alloys, but their influence on radiation response remains unclear.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2023)
Article
Nanoscience & Nanotechnology
Chang Liu, Zhen Zhang, Jun Ding, En Ma
Summary: Reverse Monte Carlo (RMC) simulations are widely used for generating three-dimensional models of amorphous materials. This study evaluates the reliability of RMC modeling for metallic glasses by comparing it with molecular dynamics simulations. The results show that RMC-generated structures lack accuracy in reproducing the local atomic packing, and additional constraints and validation check points are advised for obtaining a physically stable and meaningful atomic configuration.
SCRIPTA MATERIALIA
(2023)
Article
Metallurgy & Metallurgical Engineering
Zhang Xu, Tian Jin, Xue Mintao, Jiang Feng, Li Suzhi, Zhang Bozhao, Ding Jun, Li Xiaoping, Ma En, Ding Xiangdong, Sun Jun
Summary: There is high demand for advanced structural alloys that can withstand extremely high operating temperatures. In this study, Ta-W refractory alloys with varying tungsten content were prepared and tested for their compressive strength at different temperatures. The results showed that the compressive yield strength of the alloys increased with the tungsten concentration, especially at 2000 degrees C, where the Ta-20%W alloy exhibited a record-breaking strength of 236 MPa. This alloy also had good room-temperature shaping capability, making it a potential candidate for load-bearing applications at extremely high temperatures.
ACTA METALLURGICA SINICA
(2022)
Article
Metallurgy & Metallurgical Engineering
Ding Jun, Wang Zhangjie
Summary: High-entropy alloys are designed based on the concept of multi-principle elements and high-configuration entropy, exhibiting excellent mechanical, high-temperature, and irradiation-tolerant properties. Recent research has revealed the presence of local chemical order in high-entropy alloys and its impact on deformation mechanisms, attracting significant attention.
ACTA METALLURGICA SINICA
(2021)