Article
Chemistry, Physical
Xianshuang Xia, Guantong Wei, Lian Wu, Yeyuan Du, Xu Tang, Jinyun Ju, Haichen Wu, Renjie Chen, Wenzong Yin, Aru Yan
Summary: To improve the utilization of heavy rare-earth resources in Nd-Fe-B magnets, a dual alloy process was used to implement intergranular diffusion of DyF3 aided by nano-Cu. The addition of 0.2 wt% nano-Cu resulted in higher coercivity increment and maintained high remanence compared to Cu-free magnets. The presence of nano-Cu facilitated the dissolution and infiltration of bulky Dy-rich phase into adjacent powder flakes. The higher Dy concentrations in the main phase and grain boundary phase of Cu-containing magnets contributed to the enhancement of coercivity.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Materials Science, Multidisciplinary
Jun-Ming Wang, Zhao-Hui Guo, Zheng Jing, Xiao Du, Neng-Jun Yu, Meng-Yu Li, Ming-Gang Zhu, Wei Li
Summary: The effects of low-melting Pr-Cu alloy addition on the microstructure and magnetic properties of hot-deformation Nd-Fe-B magnets were investigated. A small amount of Pr-Cu addition significantly enhances the coercivity of the magnets. The presence of a uniform RE-rich phase wrapping the Nd2Fe14B main phase promotes the coercivity. The remanence, intrinsic coercivity, and maximum magnetic energy product of the magnets increase with Pr-Cu addition.
Article
Chemistry, Physical
Youlin Huang, Huaixin Nie, Yanying Liu, Wei Li, Junming Luo, Zaisheng Pang, Huayun Mao, Yuhua Hou
Summary: The study successfully improved coercivity of magnets using SRGBD process, obtaining high coercivity nanocomposite powder and preparing isotropic magnets with high coercivity and uniformity through SPS technique. The formation of intergranular phases played a crucial role in enhancing coercivity.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Materials Science, Multidisciplinary
Xianshuang Xia, Xu Tang, Yeyuan Du, Haichen Wu, Jinyun Ju, Lian Wu, Renjie Chen, Wenzong Yin, Lanting Zhang, Aru Yan
Summary: High coercivities and excellent thermal stability were achieved in hot-deformed Nd-Fe-B magnets through intergranular addition of alloy powders, with a low consumption of rare-earth elements.
Article
Materials Science, Multidisciplinary
Tieqiao Zhang, Wandong Xing, Fugang Chen, Shengsheng Liu, Lanting Zhang, Rong Yu
Summary: The chemical composition and structure characteristics of the intergranular phases in Nd-Fe-B magnets are crucial in regulating magnetic properties. This study investigated the modification of grain boundaries using Nd85Cu15 alloy in hot-pressed and hot-deformed Nd-Fe-B magnets, revealing a specific reaction at 600 degrees Celsius and the formation of uniform and ultra-fine Nd2Fe14B grains with significantly improved coercivity and squareness factor at lower hot deformation temperatures.
Article
Materials Science, Multidisciplinary
Renquan Wang, Qiaosen Yang, Ying Liu, Jun Li, Tingchuan Zhou, Xiaojiao Yang
Summary: The addition of SLG as an additive in hot-deformed Nd-Fe-B magnets forms a new bi-morphologically anisotropic microstructure, enhancing the magnetic properties of the magnet, particularly the coercivity. SLG acts on interfaces by inhibiting grain growth and eliminating the width of coarse grain regions, leading to improved magnetic properties of the magnet.
MATERIALS CHARACTERIZATION
(2021)
Article
Chemistry, Applied
Longquan Hou, Jinyun Ju, Xu Tang, Renjie Chen, Wenzong Yin, Aru Yan, Bin Chen, Yeyuan Du
Summary: The coercivity of hot-deformed Nd-Fe-B magnets can be effectively increased by adjusting the sandwiched structure and adding Nd-Cu eutectic alloys, while reducing remanence loss. In addition, the infiltrated Nd-Cu eutectic plays a critical role in inhibiting grain growth and intergranular magnetic interaction in the optimized microstructure, contributing positively to coercivity.
JOURNAL OF RARE EARTHS
(2021)
Article
Materials Science, Multidisciplinary
Hongxing Chen, Renquan Wang, Jun Li, Chang Liu, Xiaowei Zhang, Ying Liu
Summary: In this study, the grain growth behaviors in different regions of nanocrystalline and amorphous ribbons during heat treatment were systematically studied in order to understand the formation of coarse grain regions (CGRs) in hot-deformed Nd-Fe-B magnets. The results showed that coarse grains strongly depend on temperature and tend to form on the wheel-contacted side (WS) in both types of ribbons, but with different formation mechanisms. The CGs in nanocrystalline ribbons originate from abnormal growth of fine grains on the WS due to high surface energy and abundant Nd-rich phases, while the CGs in amorphous ribbons result from high temperature growth of large-sized grains caused by low nucleation rate and high growth rate on the WS. Microstructural characterization of the hot-deformed magnets revealed that the CGs also locate at the WS of the initial ribbons, following the formation mechanisms in nanocrystalline and amorphous ribbons. This work provides theoretical guidance for suppressing CGRs in hot-deformed magnets.
MATERIALS CHARACTERIZATION
(2023)
Article
Materials Science, Multidisciplinary
Jae-Gyeong Yoo, Hee-Ryoung Cha, Tae-Hoon Kim, Dong-Hwan Kim, Yang-Do Kim, Jung-Goo Lee
Summary: The microstructure of initial hydrogenation-disproportionation-desorption-recombination (HDDR) treated isotropic powders significantly influences the magnetic and microstructural properties of Nd-Cu infiltrated Nd-Fe-B hot-deformed magnets. The presence of non-uniform and discontinuous Nd-rich intergranular phases in HDDR powder A leads to lower coercivity compared to HDDR powder B. Nd-Cu infiltration in hot-deformed magnet A results in faster increase in coercivity due to thicker and non-ferromagnetic intergranular phases on the (001) planes of Nd2Fe14B grains, enhancing magnetic isolation and pinning force against domain wall motion.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2021)
Article
Nanoscience & Nanotechnology
Lang Ren, Shunran Zhang, Junqi Shi, Zhe Shen, Peijian Shi, Tianxiang Zheng, Biao Ding, Yifeng Guo, Qiling Xiao, Qiang Li, Yunbo Zhong
Summary: The study found that the addition of Zr can refine the grain structure and improve mechanical properties in Cu-Fe alloys. This is because Zr forms ZrFe2 compound as nucleation substrate during solidification and additional precipitation of Cu4Zr and ZrFe2 occurs during aging process.
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2022)
Article
Materials Science, Multidisciplinary
Min Zhao, Xu Tang, Wenzong Yin, Chaoxiang Jin, Jinyun Ju, Renjie Chen, Aru Yan
Summary: Grain boundary diffusion using PrNd-Cu alloy and pressure induction was used to optimize the distribution of diffused eutectic phases in hot-deformed Nd-Fe-B magnets. The modified samples achieved a high coercivity of 2.5T, with significantly increased remanence due to improved grain orientation and reduced volume fraction of the nonferromagnetic phase. Magnetic domain structures revealed isolation of grains by the diffused phases, which was found to be closely related to the coercivity.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2023)
Article
Chemistry, Applied
Min Zhao, Na Liu, Xu Tang, Renjie Chen, Jinyun Ju, Wenzong Yin, Yeyuan Du, Aru Yan, Xincai Liu, Jing Pan, Zhiyi Xu
Summary: Grain boundary diffusion process (GBDP) has been applied to sintered Nd-Fe-B magnets to improve the utilization efficiency of heavy rare earth elements. Recent research shows that GBDP also has potential for enhancing the performance of hot-deformed Nd-Fe-B magnets. This review provides a comprehensive overview of the development and magnetic property enhancement mechanisms of different diffusion methods on hot-deformed magnets, and discusses the room for further property enhancement and the associated challenges of GBDP.
JOURNAL OF RARE EARTHS
(2023)
Article
Chemistry, Applied
Fengqing Wang, Kanghua Chen, Juan Du, Jian Zhang
Summary: This study systematically investigated the effect of deformation temperature on grain refinement, texture strength, and magnetic properties of slow-deformed Nd-Fe-B magnets. The results showed that reducing the temperature led to gradual grain refinement and enhanced texture strength, resulting in increased coercivity and remanence of the magnets. Compared with traditional-sized magnets, near-nanoscale grain refinement improved coercivity by 57%, remanence by 10%, and energy product by 25%.
JOURNAL OF RARE EARTHS
(2022)
Article
Materials Science, Multidisciplinary
Tingting Song, Xin Li, Xu Tang, Wenzong Yin, Yang Luo, Dunbo Yu, Wenlong Yan, Jinyun Ju, Renjie Chen, Aru Yan
Summary: Nb element was introduced to regulate the microstructure of melt-spun powder and die-upset magnets, effectively restricting grain growth in coarse grain regions. The addition of Nb significantly improved the magnetic properties and thermal stability of the magnets, forming an anisotropic magnet.
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
(2022)
Article
Chemistry, Physical
Guantong Wei, Min Zhao, Xianshuang Xia, Jinyun Ju, Yeyuan Du, Yiping Huang, Xu Tang, Wenzong Yin, Renjie Chen, Aru Yan
Summary: The effects of adding (Pr0.25Nd0.75)10Dy80Cu5Al5 alloy powders on the magnetic properties and microstructure of hot-deformed Nd-Fe-B magnets were investigated. The addition of (Pr0.25Nd0.75)10Dy80Cu5Al5 resulted in an ultrahigh coercivity of 3.14 T in a 6-mm-thick hot-deformed magnet, and improved the temperature coefficient of coercivity and remanence at 20-180℃, indicating excellent thermal stability. Microstructure observations showed that the addition of (Pr0.25Nd0.75)10Dy80Cu5Al5 led to the formation of thick nonferromagnetic intergranular phase, reduced grain size and aspect ratio, and the formation of the (Nd,Pr,Dy)2Fe14B main phase, which were the main reasons for the enhancement of coercivity and thermal stability.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Materials Science, Multidisciplinary
Xianshuang Xia, Xu Tang, Yeyuan Du, Haichen Wu, Jinyun Ju, Lian Wu, Renjie Chen, Wenzong Yin, Lanting Zhang, Aru Yan
Summary: High coercivities and excellent thermal stability were achieved in hot-deformed Nd-Fe-B magnets through intergranular addition of alloy powders, with a low consumption of rare-earth elements.
Article
Chemistry, Physical
Xianshuang Xia, Tieqiao Zhang, Mei Liu, Lanting Zhang, Renjie Chen, Xu Tang, Jinyun Ju, Wenzong Yin, Aru Yan
Summary: In this study, new efforts were made to recover the remanence and maximum energy product in diffusion-processed hot-deformed Nd-Fe-B magnets. Through annealing at 800 degrees C under pressure, improvements were seen in c-axis misalignment of grains, distribution of powder boundary phase, and squareness factor of the demagnetization curve. The enhanced squareness factor was attributed to the homogeneous magnetization reversal process caused by the uniform microstructure.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Metallurgy & Metallurgical Engineering
Xin Zou, Cunli Liu, Muyang Deng, Ji Chen, Lanting Zhang, Ke Chen
Summary: Abnormal grain growth (AGG) commonly occurs during the post-weld heat treatment (PWHT) of friction stir welded (FSWed) AA6061, reducing joint strength and limiting its usage in superplastic forming. In this research, a new welding method with the introduction of a ball-milled Al-Ti powder mixture into the stir zone effectively inhibited AGG during PWHT. Microscopic characterizations revealed the evolution of the powder mixture into different particle formations and Al3Ti new phase. Quantitative analysis confirmed the increases in particle number and average size, validating the grain growth model and the enhanced particle pinning effect for AGG inhibition.
ACTA METALLURGICA SINICA-ENGLISH LETTERS
(2023)
Article
Chemistry, Physical
Cai Chen, Xinyi Ji, Jianhao Wang, Mei Liu, Yao Lu, Xiaoping Wang, Aimin Zhang, Li Chen, Xianping Dong, Lanting Zhang, Hong Wang
Summary: Fe-X-Ni (X 1/4 Cr, W and V) combinatorial thin-film materials chips were fabricated and characterized to establish the composition-phase-magnetic properties relationships. The results showed that saturation magnetization decreases with increasing dopped elements content and is influenced by grain size and texture. Comparing the Fe-X-Ni systems, different alloying elements lead to diverse magnetic properties due to the orientation and crystallinity of the fcc phase. The effect of heat treatment on magnetic properties indicates a close relationship between saturation magnetization and duration of heat treatment.
JOURNAL OF MATERIOMICS
(2023)
Article
Materials Science, Multidisciplinary
Mei Liu, Lanting Zhang, Bingbing Zhao, Fugang Chen, Xianshuang Xia, Yongjiang Yu, Hajime Yamamoto, Kazuhiro Ito
Summary: In this study, the plastic deformation behavior of Nd2Fe14B matrix grains was investigated by uniaxial compression. The stress exponent n and apparent activation energy Q were found to increase as the c-axis rotation increased from 0 degrees to 90 degrees. Short straight dislocations array on the (001) plane were observed in the 45 degrees-orientated specimen. Grain rotation via grain boundary sliding and dislocation-mediated deformation were found to occur when the micro-sized magnets were deformed above 1000 degrees C.
Article
Nanoscience & Nanotechnology
Yao Lu, Kai Zhang, Bingbing Zhao, Xianping Dong, Feng Sun, Baoxue Zhou, Yunqian Zhen, Lanting Zhang
Summary: Al0.3CoCrFeNiTix (x = 0.025, 0.075, 0.15) high-entropy alloys (HEAs) were studied to investigate the effects of Ti addition and aging temperature on the mechanical properties. The alloy aged at 700 degrees C with x = 0.15 showed the highest ultimate tensile strength (UTS) and fracture elongation both at room temperature and 700 degrees C. The outstanding balanced mechanical properties of the alloy are attributed to the uniformly distributed L1(2) and B2 particles, which are promoted by Ti.
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2023)
Article
Nanoscience & Nanotechnology
Ze Liu, Cai Chen, Yuanxun Zhou, Lanting Zhang, Hong Wang
Summary: Many studies have used machine learning to predict the glass-forming range of metallic glasses. However, the imbalanced and clustered datasets used for training the model make it difficult for the model to extrapolate. In this work, the generalization deficiency of the machine learning model was addressed by combining high-throughput experimentation and machine learning modeling, highlighting the importance of comprehensive data. Training the models with comprehensive data distribution over the composition space, it was found that data imbalance can lead to a skewed model and balanced data is crucial for the model's performance. An element-wise machine learning strategy was demonstrated to accelerate the identification of the glass-forming range.
SCRIPTA MATERIALIA
(2023)
Article
Materials Science, Multidisciplinary
Biao Wu, Haihui Zhang, Yuanxun Zhou, Lanting Zhang, Hong Wang
Summary: In this study, we propose an approach to determine the phase boundary and its uncertainty in a phase-composition map based on high-throughput experimentation. The approach combines Bayesian logistics regression with domain knowledge of phase diagrams and models both linear and nonlinear phase boundaries. The effectiveness of the approach is demonstrated using experimental data, and the uncertainty can be further reduced by incorporating data from subbinary systems.
PHYSICAL REVIEW MATERIALS
(2023)
Article
Chemistry, Physical
Xianshuang Xia, Guantong Wei, Lian Wu, Yeyuan Du, Xu Tang, Jinyun Ju, Haichen Wu, Renjie Chen, Wenzong Yin, Aru Yan
Summary: To improve the utilization of heavy rare-earth resources in Nd-Fe-B magnets, a dual alloy process was used to implement intergranular diffusion of DyF3 aided by nano-Cu. The addition of 0.2 wt% nano-Cu resulted in higher coercivity increment and maintained high remanence compared to Cu-free magnets. The presence of nano-Cu facilitated the dissolution and infiltration of bulky Dy-rich phase into adjacent powder flakes. The higher Dy concentrations in the main phase and grain boundary phase of Cu-containing magnets contributed to the enhancement of coercivity.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Physical
Xianshuang Xia, Guantong Wei, Lian Wu, Yong Ouyang, Xu Tang, Yeyuan Du, Renjie Chen, Jinyun Ju, Wenzong Yin, Aru Yan
Summary: Four types of bulk hot-deformed Nd-Fe-B composite magnets were designed with different combinations of Dy-free and Dy-containing powders. The magnets showed significant differences in magnetic properties, with MGGM having the highest remanence (13.48 kGs), GMMG having the highest coercivity (22.24 kOe), and MGGM having the highest overall magnetic performance (approximately 65). The poor deformability of the mixed powders in the (M-G)mix magnet resulted in inferior ribbon texture throughout the magnet. The excellent remanence and overall magnetic performance of the MGGM magnet can be attributed to the superior ribbon texture of M powders compared to G powders. Finite element simulations were conducted to explain the deformation behaviors and microstructural differences of the composite magnets.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Materials Science, Multidisciplinary
Haihui Zhang, Biao Wu, Lanting Zhang, Hong Wang
Summary: Thermodynamic modelling and quantification of uncertainty are crucial for multicomponent alloy design. In this study, the Ag-Cu, Ag-Co, and Co-Cu binary systems were assessed and used to model the Ag-Cu-Co ternary system. The calculated phase diagrams agreed well with experimental results, and the reliability of the models was validated. The Phase Diagram Uncertainty Quantification tool provided confidence measures in the design of solder alloys.
MATERIALS CHEMISTRY AND PHYSICS
(2023)
Article
Multidisciplinary Sciences
Hui Lv, Nuli Xie, Mingqiang Li, Mingkai Dong, Chenyun Sun, Qian Zhang, Lei Zhao, Jiang Li, Xiaolei Zuo, Haibo Chen, Fei Wang, Chunhai Fan
Summary: We demonstrate a general-purpose DNA integrated circuit (DIC) system by integrating multilayer DNA-based programmable gate arrays (DPGAs), which can be reconfigured and programmed to implement a wide range of circuits. We also show that DNA origami registers can control the asynchronous execution of cascaded DPGAs, and the integration of a DPGA with an analog-to-digital converter can be used for disease classification.
Article
Chemistry, Physical
Jie Chen, Jian Liu, Minjuan Zhang, Zhanji Dong, Zhongjie Peng, Xinyi Ji, Mei Liu, Lanting Zhang, Anqi Zhang, Hong Zhu
Summary: Designing Nd-Fe-B-based permanent magnets with high temperature stability is crucial for their use in traction motors. Conventionally, heavy rare-earth elements are used for achieving high temperature stability, but at a higher cost. This study demonstrates the utilization of an adaptive learning framework to optimize the composition of Nd-Fe-B-based magnets with lower-cost elements and improve the performance-cost ratio. The framework efficiently screens novel compositions and guides the experimental design, resulting in significant improvements in the performance-cost ratio.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
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
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)