Article
Materials Science, Multidisciplinary
Qingyu Zhang, Xinjun Shen, Zhijun Wang, Shunhu Zhang, Mingfang Zhu
Summary: The study utilized a three-dimensional cellular automaton model to simulate the microstructure evolution of columnar dendrites during isothermal coarsening. The model successfully reproduced several typical features of dendrite coarsening and revealed that the specific surface area of the solid/liquid interface decreased with time following a power-law relation. Additionally, the model demonstrated insights into the complex interactions among local melting/solidification, solute diffusion, and variation of weighted mean curvature in the 3-D space.
JOURNAL OF MATERIALS SCIENCE
(2021)
Article
Multidisciplinary Sciences
Emanuel M. Avrahami, Lothar Houben, Lior Aram, Assaf Gal
Summary: This study reveals that complex crystalline morphologies can be achieved by manipulating the growth rate. Using electron tomography, the researchers examined the development of coccolith crystals in three dimensions and found that the crystals express only one set of symmetry-related crystallographic facets, with the positioning of the crystals along specific edges contributing to morphological chirality.
Article
Chemistry, Physical
Tianjun Wang, Wei Chen, Shucai Xia, Zefeng Ren, Dongxu Dai, Xueming Yang, Chuanyao Zhou
Summary: The electronic structures of rutile TiO2 were measured using two-photon photoemission spectroscopy, revealing anisotropy in certain directions. This asymmetry-caused electronic structure anisotropy could have implications for similar materials and their catalytic properties. The study provides an important benchmark for related calculations.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Materials Science, Multidisciplinary
Wenchao Cao, Xin Ding, Ruirun Chen, Jiaxin Zhang, Yong Zhang, Jingjie Guo, Hengzhi Fu
Summary: In this study, the cyclic microstructure evolution process and the influence of grain size on the hydrogen de-/absorption properties of magnesium-based alloys were clarified. It was found that fast solidified alloys exhibited better hydrogen de-/absorption properties, and the activated samples consisted of fine Mg2Ni particles and porous structures in the Mg matrix, which facilitated hydrogen diffusion.
MATERIALS CHARACTERIZATION
(2023)
Article
Physics, Multidisciplinary
Wei-Peng Chen, Hua Hou, Yun-Tao Zhang, Wei Liu, Yu-Hong Zhao
Summary: A strategy of parameter calculation and result storage is presented for phase-field simulation of alpha-Mg dendrite growth in Mg-5-wt% Zn alloy under isothermal solidification. Key parameters can be obtained based on phase diagram and empirical formulas, and using structured point method can reduce storage space and time.
Article
Materials Science, Multidisciplinary
Seong Gyoon Kim, Hyeon-Seok Hwang, Joo-Youl Huh
Summary: The growth morphologies of dendrites in thin Zn-0.2 wt% Al coating layers were investigated using 3D phase-field simulations, revealing the existence of a third preferred growth direction family close to the directions normal to the {1 (2) over bar 11} planes and the importance of interface kinetic anisotropy in dendritic solidification of Zn-rich alloys.
COMPUTATIONAL MATERIALS SCIENCE
(2021)
Article
Chemistry, Physical
You-Sung Han
Summary: The study focuses on understanding the evolution of the tungsten microstructure under He/D irradiation using fractal dimension analysis, which shows a direct correlation between the fractal dimension and irradiation energy. An empirical relation expressing the change in microstructure based on the fractal dimension changes was established and implemented in a phase-field model formulation. The current phase-field model captures the evolution of void under irradiation, including nucleation, growth of voids, and sink efficiency for vacancy annihilation near grain boundaries.
Article
Materials Science, Multidisciplinary
M. S. Jalali, A. Zarei-Hanzaki, Mehdi Malekan, H. R. Abedi, M. Mosayebi, Amir-Reza Kalantari, E. Farabi, Su-Hyeon Kim
Summary: This study emphasizes the role of substructure development in the fragmentation of cast structure in Mg-Sn-0.3Li-3Zn alloy during thermomechanical processing. A new micro-mechanism and conceptual model were proposed, supported by various analyses. Despite conventional expectations, it was found that substructure development greatly participated in the thermally-activated disintegration of the dendritic cast structure in medium-to-high stacking fault energy materials.
Article
Materials Science, Multidisciplinary
Jianbin Wang, Zhanyong Zhao, Wenbo Du, Peikang Bai, Liqing Wang, Zhen Zhang, Zhiquan Huang
Summary: This study investigates the heat transfer and equiaxed grain growth in the weld pool bonding zone of Mg-Gd-Y-Zn-Zr alloy components fabricated by cold metal transfer (CMT) based wire arc additive manufacturing (WAAM) through macro-micro numerical simulation. The results show that the morphologies of the molten pool in the bonding area are ellipsoid and increase in size with increasing temperature. The unique layered processing method and Marangoni effect in the bonding zone promote the precipitation of b-Mg24(Gd,Y)5 and RE-rich phases, hindering grain boundary migration.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2023)
Article
Metallurgy & Metallurgical Engineering
Wei-Peng Chen, Hua Hou, Yun-Tao Zhang, Wei Liu, Yu-Hong Zhao
Summary: A phase-field lattice-Boltzmann model was used to study the α-Mg dendrite growth of Mg-5wt%Zn alloy with forced convection. It was found that forced convection and the thermal and solute field overlap led to nonuniform distribution, destroying the symmetry of dendrite morphology. The study also revealed that melt flow hindered solute transport through sidebranching, with different effects on the temperature gradient and solute enrichment layer thickness.
ACTA METALLURGICA SINICA-ENGLISH LETTERS
(2023)
Article
Metallurgy & Metallurgical Engineering
Wei-Peng Chen, Hua Hou, Yun-Tao Zhang, Wei Liu, Yu-Hong Zhao
Summary: This study investigates the effect of forced convection on the growth of α-Mg dendrites in Mg-5wt%Zn alloy. The results show that forced convection disrupts the symmetry of dendrite morphology and leads to nonuniform distribution of thermal and solute fields. The solid temperature and concentration at the downstream dendrite tip increase with forced convection, while the concentration at the upstream dendrite tip decreases. The study also reveals that solute transport is hindered by developed sidebranching.
ACTA METALLURGICA SINICA-ENGLISH LETTERS
(2023)
Article
Materials Science, Multidisciplinary
Xun Zhang, Ye Wang, Zesheng Ji, Hongyu Xu, Maoliang Hu, Pengxing Cui
Summary: A model was developed to study the grain morphology of the Mg-Al alloy semisolid structure, introducing an orientational field model to describe the orientation of different grains. The growth process of multiple grains was successfully simulated using this model. The results were in good agreement with experimental data.
METALLURGICAL AND MATERIALS TRANSACTIONS B-PROCESS METALLURGY AND MATERIALS PROCESSING SCIENCE
(2021)
Article
Materials Science, Multidisciplinary
Faliang He, Chuansong Wu, Lei Shi
Summary: This study developed a numerical simulation method to investigate the dynamic recrystallization behavior during friction stir welding of dissimilar Al/Mg alloys. The results show significant changes in grain size and dislocation density during the welding process, with the final grain size on the Al side being lower.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2023)
Article
Materials Science, Multidisciplinary
Rensong Huang, Mengnie Li, Hongfu Yang, Shumeng Lu, Hanning Zuo, Shanju Zheng, Yonghua Duan, Xiaohong Yuan
Summary: Increasing Mg content in the as-cast Al-Zn-Mg-Cu alloys leads to higher amounts of nonequilibrium eutectic structures and tertiary dendrites in the a(Al) matrix. Additionally, the crystallization temperature range decreases with increasing Mg content.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2022)
Article
Materials Science, Multidisciplinary
Xudong Liu, Qingfeng Zhu, Cheng Zhu, Yubo Zuo, Haichang Jiang
Summary: This study investigated the mechanisms involved in the grain refinement of a 2024 aluminum alloy prepared through the direct-chill (DC) casting process with the introduction of intensive melt shearing. The experiments and theoretical analyses demonstrated that shear stress between the stator and rotor can break the dendrite arms. The experimental results showed that the cooling rate of the melt during intensive melt shearing casting is higher than that in conventional DC casting, leading to improved grain refining effect when shearing is processed at a lower position with a higher rotation speed.
METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE
(2022)
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)