Article
Materials Science, Multidisciplinary
Jiawei Chen, Yaxin Zhu, Minsheng Huang, Lv Zhao, Shuang Liang, Shulin Yuan, Zhenhuan Li
Summary: In this study, the distribution of hydrogen around grain boundaries and the plastic response of grain boundaries under different conditions were simulated. It was found that the influence of hydrogen on dislocation nucleation from grain boundaries depends on both tensile directions and characteristics of grain boundary structures.
MATERIALS & DESIGN
(2022)
Article
Engineering, Mechanical
Li Li, Lijun Liu, Yoji Shibutani
Summary: The interactions between edge dislocations and <112>-axis symmetric tilt grain boundaries in copper were investigated through atomistic simulations. The results showed that the leading partial dislocation was absorbed into the grain boundary upon impact, while the trailing partial dislocation played a crucial role in determining the threshold reaction stress. The reaction energy barriers exhibited a linear relationship with the resolved shear stress or strain state, and the corresponding strain rate sensitivities obtained through activation volumes matched well with experimental data.
INTERNATIONAL JOURNAL OF PLASTICITY
(2022)
Article
Chemistry, Multidisciplinary
Fengkai Guo, Bo Cui, Chun Li, Yumei Wang, Jian Cao, Xinghong Zhang, Zhifeng Ren, Wei Cai, Jiehe Sui
Summary: A multilevel structure consisting of lotus-seedpod-like grain boundaries, dense dislocations, and nanopores was innovatively constructed to improve the thermoelectric performance of environmentally friendly SnTe, resulting in ultralow lattice thermal conductivity and high figure of merit ZT values. The strategy of stress-induced recrystallization and gas expansion cogenerating interfacial pores is believed to be widely applicable for improving thermoelectric performance in many other materials.
ADVANCED FUNCTIONAL MATERIALS
(2021)
Article
Chemistry, Multidisciplinary
Pengcheng Jia, Liang Qin, Di Zhao, Yang Tang, Bo Song, Junhan Guo, Xiaomeng Li, Ling Li, Qiuhong Cui, Yufeng Hu, Zhidong Lou, Feng Teng, Yanbing Hou
Summary: The performance of perovskite solar cells is greatly influenced by the crystallization of the perovskite active layer, with neatly arranged crystal grains promoting less residual charge and improved device performance. The testing of residual charge at grain boundaries provides insight into carrier trap and detrap characteristics in photovoltaic devices.
ADVANCED FUNCTIONAL MATERIALS
(2021)
Article
Materials Science, Multidisciplinary
S. Lay
Summary: Geometrical calculations were used to evaluate the resistance of WC grain boundaries in WC-Co cemented carbides to transfer plastic deformation. It was found that E = 2 and E = 4 grain boundaries are more resistant to dislocation propagation compared to other grain boundaries, which could be controlled to tune the material properties.
INTERNATIONAL JOURNAL OF REFRACTORY METALS & HARD MATERIALS
(2021)
Article
Materials Science, Multidisciplinary
Wei Wan, Changxin Tang
Summary: In this atomistic study, the structure-property correlations of Si (001) small angle mixed grain boundaries (SAMGBs) were investigated. It was found that the energy trends of SAMGBs followed the revised Read-Shockley relationship, and the structural transitions were determined by the dislocation core radii. The proportion, topology and structural signatures of different SAMGB types were also examined.
Article
Engineering, Mechanical
Chuanlong Xu, Xiaobao Tian, Wentao Jiang, Qingyuan Wang, Haidong Fan
Summary: This study investigates the migration mechanisms of symmetric tilt grain boundaries (STGBs) in magnesium using molecular dynamic simulations. The results show that the migration mechanisms of grain boundaries are significantly influenced by their structure, with small angle STGBs migrating through twin nucleation and growth, large angle STGBs migrating through the glide of grain boundary dislocations, and medium angle STGBs transforming into twin boundaries through the emission of lattice dislocations/stacking faults.
INTERNATIONAL JOURNAL OF PLASTICITY
(2022)
Article
Materials Science, Multidisciplinary
Matthew T. Curnan, Dongjae Shin, Wissam A. Saidi, Judith C. Yang, Jeong Woo Han
Summary: GB engineering plays a crucial role in optimizing catalysis and related materials phenomena by systematically classifying low-angle and high-angle grain boundaries and linking various properties through strain footprints. This research aims to evaluate the differences between low-angle and high-angle GBs, explain their origins, and connect transitions to materials phenomena. By utilizing a hierarchical statistical model and simplified strain footprints, this study successfully detects transitions and correlates them with catalytically relevant materials phenomena under a universal atomistic framework.
Article
Chemistry, Multidisciplinary
Hongbo Xie, Qiuyan Huang, Junyuan Bai, Shanshan Li, Yang Liu, Jianguang Feng, Yuansheng Yang, Hucheng Pan, Hongxiao Li, Yuping Ren, Gaowu Qin
Summary: The study found that in a model Mg-Nd-Mn alloy, nonsymmetrical segregation of solutes occurred in linear tilt grain boundaries to generate ordered interfacial superstructures. This phenomenon is totally different from the classical McLean-type segregation and refreshes our understanding on strain-driven interface segregation behaviors.
Article
Chemistry, Physical
Pengfei Fan, Saurav Goel, Xichun Luo, Yongda Yan, Yanquan Geng, Yang He
Summary: This paper used molecular dynamics simulation to reveal the origins of ductile plasticity in polycrystalline GaAs during nanoscratching, showing that dislocation nucleation in the grain boundaries is the initiation of plastic deformation. Cutting forces and sub-surface damage decrease with increasing scratch velocity, while cutting temperature scales with velocity increase.
APPLIED SURFACE SCIENCE
(2021)
Article
Nanoscience & Nanotechnology
Yang Su, Thanh Phan, Liming Xiong, Josh Kacher
Summary: This paper combines in situ high-resolution electron backscattered diffraction (EBSD) with concurrent atomistic-continuum (CAC) simulations to investigate the interactions between dislocation-mediated slip and grain boundaries (GBs) in Ni. The study shows that the local stress at slip-GB intersections initially increases with the pileup of dislocations and remains high, even after the nucleation of dislocations in the neighboring grain. The local stress only relaxes when the nucleated dislocations propagate away from the GB due to more incoming dislocations participating in the pileup. The relaxation of local stress is accompanied by the reconfiguration of atomic-scale GB structure, which not only affects subsequent dislocation transmission but also the configuration of dislocations away from the GB. These findings highlight the importance of incorporating local stress history in higher length scale models, such as crystal plasticity finite element.
SCRIPTA MATERIALIA
(2023)
Article
Geochemistry & Geophysics
Filippe Ferreira, Lars N. Hansen, Katharina Marquardt
Summary: The study focuses on the plastic deformation and the role of grain boundaries in olivine deformation. Specific types of grain boundaries created by dislocation activity facilitate grain-boundary sliding. With progressive deformation, there is an increase in abundance of apparently slip-transparent boundaries.
JOURNAL OF GEOPHYSICAL RESEARCH-SOLID EARTH
(2021)
Article
Chemistry, Physical
Wei Wan, Changxin Tang, Wennan Zou
Summary: This study used a high efficient MC/MD approach to reproduce silicon [001] small angle symmetric tilt grain boundaries, focusing on the variations of grain boundary properties under different misorientation angles and the roles of dislocation stress fields in shaping special grain boundary properties. Calculations of key parameters for grain boundary structures and energies were conducted, which could benefit future grain boundary engineering.
APPLIED SURFACE SCIENCE
(2022)
Article
Materials Science, Multidisciplinary
Ayush Suhane, Matthias Militzer
Summary: Conventional grain growth models lack consideration for the variability in grain boundary properties, and instead rely on empirical parameters. This study presents a systematic analysis that accounts for anisotropic grain boundary properties and provides a relationship to determine representative properties for an arbitrary distribution. Phase field simulations are used to analyze the effect of anisotropic mobility and segregation on average grain size evolution. It is found that the average grain size evolution can be determined using representative properties determined from simulations with varying anisotropic properties. The range of applicability for the phenomenological model is identified as moderate anisotropies.
COMPUTATIONAL MATERIALS SCIENCE
(2023)
Article
Materials Science, Multidisciplinary
Chaoqun Dang, Weitong Lin, Fanling Meng, Hongti Zhang, Sufeng Fan, Xiaocui Li, Ke Cao, Haokun Yang, Wenzhao Zhou, Zhengjie Fan, Ji-jung Kai, Yang Lu
Summary: This study introduces a facile strategy to enhance the ductility and yield strength of tungsten microcomponents, demonstrating potential applications in micro/nanoscale mechanical, electronic, and energy systems.
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
(2021)
Article
Nanoscience & Nanotechnology
Ahmad Mirzaei, Peter D. Hodgson, Xiang Ma, Vanessa K. Peterson, Ehsan Farabi, Gregory S. Rohrer, Hossein Beladi
Summary: This study investigated the influence of parent austenite grain refinement on the intervariant boundary network in a lath martensitic steel. It found that refining the parent austenite grain led to a decrease in the fraction of certain boundaries in the martensite and an increase in the connectivity of low energy boundaries, ultimately improving the impact toughness.
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2024)
Article
Nanoscience & Nanotechnology
N. L. Church, C. E. P. Talbot, L. D. Connor, S. Michalik, N. G. Jones
Summary: Metastable beta Ti alloys based on the Ti-Nb system have attracted attention due to their unique properties. However, the unstable cyclic behavior of these alloys has hindered their widespread industrial use. Recent studies have shown that internal stresses, including those from dislocations, may be responsible for this behavior. This study demonstrates that inter-cycle thermal treatments can mitigate the unstable cyclic behavior, providing a significant breakthrough in our understanding of Ti-Nb superelastic materials.
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2024)
Article
Nanoscience & Nanotechnology
Di Zhao, Chenchen Zhao, Ziyang Xiu, Jiuchun Yan
Summary: This study proposes a novel strategy for achieving the bonding of SiC ceramic and Al alloy using ultrasound. The ultrasound promotes the dissolution of Al into the solder, activating the solder and triggering the interfacial reaction between SiC ceramic and solder. With increasing ultrasonic duration, the bonding between SiC and Al transitions from partial to full metallurgical bonding.
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2024)
Article
Nanoscience & Nanotechnology
Kang Du, Yang Zhang, Guangda Zhao, Tao Huang, Liyuan Liu, Junpeng Li, Xiyu Wang, Zhongwu Zhang
Summary: This paper systematically investigated the evolution of microstructure in Fe-Ni-Co-Al polycrystalline alloys and its effects on mechanical properties. The results revealed that the migration of grain boundaries in different processes is driven by different factors, which impacts the grain orientation and precipitate formation. In the process of directional recrystallization, grains with specific orientations grow in the grain boundary region and form the dominant orientation, while grains with lower migration rate form the minor orientation. The alloy produced through directional recrystallization exhibited good recoverable strain and superelastic strain, while the alloy produced through solid solution treatment showed no evident superelastic behavior.
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2024)
Article
Nanoscience & Nanotechnology
Edohamen Awannegbe, Liang Chen, Yue Zhao, Zhijun Qiu, Huijun Li
Summary: This study employed laser metal deposition to additively manufacture Ti-15Mo wt% alloy, and subsequently subjected it to post-fabrication uniaxial thermomechanical processing. The results showed that different zones in the microstructure remained after processing, and deformation mechanisms mainly involved slip and martensite formation. The compressive mechanical properties were found to be dependent on strain rate, with higher flow stress and compressive strength observed at higher strain rates. Grain structure homogenisation was not achieved, leading to anisotropic tensile properties.
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2024)
Article
Nanoscience & Nanotechnology
Reza Khatib Zadeh Davani, Enyinnaya George Ohaeri, Sandeep Yadav, Jerzy A. Szpunar, Jing Su, Michael Gaudet, Muhammad Rashid, Muhammad Arafin
Summary: This research aims to investigate the effect of roughing and finishing reductions on crystallographic texture. The results show significant heterogeneity in the centerline region, with higher intensity of certain textures. Drop Weight Tear Test indicates that steel specimens with lower and medium reductions exhibit superior low-temperature impact toughness compared to steel with higher reductions. The electrochemical hydrogen charging experiments confirm the presence of internal hydrogen cracks only in steel with lower and medium reductions.
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2024)
Article
Nanoscience & Nanotechnology
Flavio De Barbieri, Denis Jorge-Badiola, Rodrigo Allende, Karem Tello, Alfredo Artigas, Franco Perazzo, Henry Jami, Juan Perez Ipina
Summary: This study examines the effect of Cr additions on the mechanical behavior of TWIP steel at temperatures ranging from 25°C to 350°C. The results indicate that different temperature-dependent strengthening mechanisms, including mechanical twinning, Dynamic Strain Aging, and slip bands, are at play. The stacking fault energy (SFE) influences the percentage of mechanical twinning, which in turn affects the strain hardening rate.
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2024)
Article
Nanoscience & Nanotechnology
Hanlin Peng, Siming Huang, Ling Hu, Bingbing Luo, Liejun Li, Ian Baker
Summary: This study explores the weldability, microstructures, and mechanical properties of two L1(2)-nanoparticle-strengthened medium-entropy alloys after electron beam welding (EBW). The results show that strong yet ductile defect-free joints were produced, with larger grain sizes in the fusion zones compared to the heat-affected zones and base materials. Both EBWed MEAs exhibited high yield strengths, high ultimate tensile strengths, and good fracture strains at 77 K. The V-doping improved the cryogenic mechanical properties of the TMT MEA.
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2024)
Article
Nanoscience & Nanotechnology
Yongxin Wang, Lei Chen, Lizi Shao, Shuo Hao, Motomichi Koyama, Xingzhou Cai, Xiaocong Ma, Miao Jin
Summary: This study investigated the tensile deformation behavior of an Mn-N bearing lean duplex stainless steel with metastable austenite. The results showed that the strain rate had significant influence on the work hardening, strain-induced martensitic transformation, and fracture mechanism.
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2024)
Article
Nanoscience & Nanotechnology
Jong Woo Won, Seulbi Lee, Hye-Jeong Choe, Yong-Taek Hyun, Dong Won Lee, Jeong Hun Lee
Summary: Cold-rolled pure titanium showed improved sheet formability after undergoing cryogenic-deformation treatment. This treatment increased the thinning capability of the titanium and suppressed cracking during sheet forming. The formation of twins during deformation contributed to high thinning capability and increased strength through grain refinement and dislocation accumulation.
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2024)
Article
Nanoscience & Nanotechnology
Handong Li, Lin Su, Lijuan Wang, Yanbin Jiang, Jiahui Long, Gaoyong Lin, Zhu Xiao, Yanlin Jia, Zhou Li
Summary: Homogenization heat treatment is a key procedure in controlling the second phase, enhancing composition uniformity, and workability of as-cast Cu-15Ni-8Sn alloy. This study found that electropulsing treatment (EPT) can significantly reduce treatment temperature and time, improve elongation and overall mechanical properties of the alloy.
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2024)
Article
Nanoscience & Nanotechnology
Yuxuan Wang, Juntao Zou, Lixing Sun, Yunfei Bai, Zhe Zhang, Junsheng Cheng, Lin Shi, Dazhuo Song, Yihui Jiang, Zhiwei Zhang
Summary: A novel mechanical-heat-electricity synergistic method was proposed to enhance the mechanical properties of Cu-15Sn-0.3Ti alloy by forming annealing twins (ATs). The combination method of Rotary swaging (RS) and Electric pulse treatment (EPT) successfully induced recrystallization and refinement of the microstructure, leading to a significant increase in the strength of the alloy within a short time.
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2024)
Article
Nanoscience & Nanotechnology
Zhiyi Ding, Jiangtao Xie, Tong Wang, Aiying Chen, Bin Gan, Jinchao Song
Summary: This study demonstrated the Ta-induced strengthening of CoCrNi-AlTi MEAs using nanoscale heterogeneous coherent precipitates. The addition of Ta and aging treatments significantly enhanced the mechanical properties of the alloy, including yield strength, ultimate tensile strength, and elongation.
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2024)
Article
Nanoscience & Nanotechnology
Z. Y. You, Z. Y. Tang, B. Wang, H. W. Zhang, P. Li, L. Zhao, F. B. Chu, H. Ding
Summary: The mechanical properties and microstructural evolution of C-doped TRIP-assisted HEA under dynamic loading conditions were systematically investigated in this study. The results showed that dynamic tensile deformation led to an increase in yield strength and a decrease in ultimate tensile strength, with a trend towards increased total elongation. The primary deformation mechanisms shifted from TRIP and TWIP effects to deformation twinning and dislocations. The presence of carbides formed through C-doping hindered dislocation slip and promoted the activation of multiple twinning systems.
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2024)
Article
Nanoscience & Nanotechnology
Feng Qin, Feihu Chen, Junhua Hou, Wenjun Lu, Shaohua Chen, Jianjun Li
Summary: Plastic instability in strong multilayered composites is completely suppressed by architecting nanoscale BCC Nb crystalline-amorphous CuNb interfaces.
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2024)