Article
Multidisciplinary Sciences
Christian Dam Vedel, Soren Smidstrup, Vihar P. Georgiev
Summary: In this study, polytypic defects in Indium Phosphide (InP) were investigated using density functional theory and non-equilibrium Greens functions. The study found that interfaces between the Zincblende crystal structure and the Wurtzite phase in InP exhibit anisotropic band structure transition and require a minimal width of 10 nm for crystal-phase quantum wells. Despite reducing conductivity across the defect-plane, a high degree of polytypic defects is still desirable due to a higher fraction of Wurtzite segments in a highly phase-intermixed system.
SCIENTIFIC REPORTS
(2022)
Article
Chemistry, Physical
Baoyu Geng, Peichang Deng, Youchi Li, Jiezhen Hu
Summary: This study analyzes the hardness, elastic modulus, and distribution of hardness and elastic modulus in M7C3 carbide grains using nanoindentation technology. The structure of stacking faults (SFs) in M7C3 carbides is analyzed using transmission electron microscopy (TEM). First-principles calculations reveal the mechanism of how SFs influence the carbide hardness.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Materials Science, Multidisciplinary
Chengru Wang, Han Wu, Hong Zhu, Yan-Ting Sun, Chaoying Xie
Summary: This study investigates the impurity effects on the generalized stacking fault energy (GSFE) of InP through first-principles calculations, finding that the incorporation of impurity elements significantly decreases the GSFE of InP, primarily attributed to electronic effects. These results contribute to understanding the stacking fault characteristics of III-V compounds incorporated with different impurities.
Article
Materials Science, Multidisciplinary
Dongsheng Wen, Michael S. Titus
Summary: This study investigates the driving force of Suzuki segregation in the Co-Ni binary system and predicts temperature- and composition-dependent stacking fault energies. Configurational and vibrational effects aid in stabilizing stacking faults, with segregation of Co to the innermost planes of the faults. The method developed here could be used to inform alloy design strategies and predict segregation in other interfacial problems.
Review
Chemistry, Physical
Xiaoyu Wu, Yaying Dou, Ruqian Lian, Yizhan Wang, Yingjin Wei
Summary: This review discusses the latest advancements in theoretical studies on cathode and anode materials as well as electrolytes of magnesium ion batteries (MIBs), focusing on their thermodynamic properties, electronic structures, kinetic properties, and their relationship to electrochemical properties. The prospects for the future development of MIBs are also presented.
ENERGY STORAGE MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
Lianjuan Tian, Yan Zhou, Xuerui Jing, Tianxu Zheng, Shibo Zhou, Jianyue Zhang, Peng Peng, Aitao Tang
Summary: The selection of alloying elements with solid solution strengthening and ductilizing (SSDD) effect has become an important method for developing high-performance magnesium (Mg) alloys recently. The critical shear stress (CRSS) is an intrinsic parameter that characterizes the SSDD effect. In this study, the CRSS of four slip systems in Mg-X (X = Al, Zn, Ca, Li, Mn, Sn, Bi, Ag Ga, In, Zr) alloys with solid solubility in Mg is calculated using first-principles and Peierls-Nabarro (P-N) model, and the SSDD effect is systematically studied and experimentally verified. The study provides guidance for the selection of solid solution elements for Mg alloys.
MECHANICS OF MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Jie Song, Yao Fu
Summary: Density functional theory-based calculations are used to investigate the possible slip systems in Ni2Cr, Ni2Mo, and Ni4MoCr, which are the main types of precipitates in technically important Ni-based alloys. A total of 12 most common slip systems are considered, which are further reduced to four distinct systems due to the symmetry of the precipitate. The most and least favorable slip system have been identified through the analysis of general stacking fault energies, providing insights into the strengthening mechanisms in alloys containing these and similar types of precipitates.
MATERIALS TODAY COMMUNICATIONS
(2023)
Article
Chemistry, Physical
Ying Liu, Zhuonan Huang, Xiong Gao, Yuqi Wang, Feng Wang, Shuaishuai Zheng, Sinan Guan, Hongli Yan, Xin Yang, Weihua Jia
Summary: LaNi4.5Fe0.5 doped MgH2 exhibits the best H2 absorption/desorption performance compared to other samples, with rapid hydrogen introduction capabilities at a mild temperature and pressure. The activation energy barriers for hydrogenation and dehydrogenation are significantly reduced, suggesting successful doping and improved catalytic properties of the La-based alloy inside MgH2.
JOURNAL OF POWER SOURCES
(2022)
Article
Materials Science, Multidisciplinary
Chun Chen, Jialin Niu, Hua Huang, Donghui Zhu, Jian-Feng Nie, Guangyin Yuan
Summary: The study found that transition elements Ti, Mn, and Fe can increase the stability of Zn-based alloys by forming strong interatomic bonding, recommending them as suitable alloying elements for superior mechanical properties.
Article
Chemistry, Physical
Xiaojie Li, Stephan Schonecker, Levente Vitos, Xiaoqing Li
Summary: This study investigates the stacking fault energies (SFE) of 29 single-phase fcc high-entropy alloys (HEAs) and finds a strong correlation between unstable SFE and shear modulus. The ratio of intrinsic SFE to unstable SFE, gamma isf/gamma usf, is identified as a characteristic measure that ranks the tendencies to exhibit deformation twinning and transformation to hexagonal close-packed martensite.
Article
Chemistry, Multidisciplinary
Mengen Wang, Sai Mu, James S. Speck, Chris G. van de Walle
Summary: This study investigates the energetics and electronic structures of planar defects in monoclinic β-Ga2O3 using density functional theory calculations. The formation energy of twin boundaries (TBs) on different planes is examined, and it is found that TBs on the (100)A plane have the lowest energy. Stacking faults (SFs) on the (100) plane also have lower energy compared to SFs on the (010) and (001) planes. Although TBs and SFs on planes other than (100) have higher energies, they have been observed in epitaxial layers, and their origins are explained in terms of growth region coalescence or low-energy TBs on the growing surface.
ADVANCED MATERIALS INTERFACES
(2023)
Article
Chemistry, Physical
Andreas Leitherer, Byung Chul Yeo, Christian H. Liebscher, Luca M. Ghiringhelli
Summary: AI-STEM is an artificial intelligence-based method that automatically identifies crystal structures and interface characteristics from atomic resolution scanning transmission electron microscopy (STEM) images. It achieves accurate identification of crystal structure, lattice orientation, and interface location in synthetic and experimental images without explicit information on structural patterns at the interfaces.
NPJ COMPUTATIONAL MATERIALS
(2023)
Article
Physics, Multidisciplinary
Weiwei Xu, Ting Sun, Yingzhao Jiang, Xiaoying Qu, Xia Yan, Liyang Wang, Xinfeng Wang, Jinbao Huang, Xiaozhi Wu
Summary: Two-dimensional transition metal dichalcogenides monolayer can be tuned to topological insulators by introducing stacking faults, which opens up new possibilities for electronic and spintronic devices.
Article
Materials Science, Multidisciplinary
Qiwen Qiu, Jun Song
Summary: Comprehensive first-principles density functional theory calculations were performed to investigate the effects of solutes on the stacking fault energies in binary magnesium alloys. The solute effect was found to be mechanical and electronic in nature, which was quantified based on misfit volume and d-electrons. A predictive model of the solute effect on the stacking fault energies was developed and showed good agreement with the calculations. This study provides important mechanistic insights and predictivity for the rational design of magnesium alloys with enhanced mechanical properties.
ADVANCED ENGINEERING MATERIALS
(2023)
Article
Metallurgy & Metallurgical Engineering
Chen Xu, Jianfeng Wang, Chen Chen, Chao Wang, Yufeng Sun, Shijie Zhu, Shaokang Guan
Summary: The initial micro-galvanic corrosion behavior of Mg-30wt%Ca alloy in a 0.9% NaCl solution at 37 degrees C was studied. It was found that Mg2Ca corroded easier than alpha-Mg, indicating that Mg2Ca acted as an anode. Calculations showed that Mg2Ca had a significantly lower work function (Phi) compared to alpha-Mg. Experimental measurements indicated that Mg2Ca had a relatively low Volta potential (psi) value. The lower Phi and psi values for Mg2Ca suggest a lower electrochemical nobility, which is consistent with the experimental observations.
JOURNAL OF MAGNESIUM AND ALLOYS
(2023)
Article
Materials Science, Multidisciplinary
Yongbiao Wang, Yaqing Sun, Xintian Liu, Jiaxin Wang, Mingguang Wei, Yujuan Wu, Liming Peng
Summary: Synchrotron radiation technology is a powerful tool for characterizing the microstructure of alloys, and it has made incremental progress in the research of Mg alloys.
MATERIALS SCIENCE AND TECHNOLOGY
(2022)
Article
Materials Science, Multidisciplinary
Zhenming Li, Qigui Wang, Liming Peng, Alan A. Luo, Penghuai Fu
Summary: This study investigates the cyclic hardening and softening behavior of peak-aged Mg-Nd-based alloys during low cycle fatigue using transmission electron microscopy. The initial cyclic hardening is attributed to the increase in dislocation density and interaction with nano-scale precipitates. Cyclic softening is a result of dislocation shearing through precipitates and the transformation of precipitates in different stages of fatigue. The competing mechanisms of hardening and softening are present throughout the entire fatigue process, with hardening dominating in the beginning and softening taking over after a certain number of cycles, around 350 cycles.
METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE
(2022)
Article
Chemistry, Multidisciplinary
Liming Peng, Xuyang Yang, Song Wang, Yau Kei Chan, Yong Chen, Zhaopu Yang, Yurong Mao, Limei Li, Weizhong Yang, Yi Deng
Summary: The innovative bimetal metal-organic framework domino micro-reactor generates a self-generating H2O2 microenvironment through a cascade reaction to effectively inhibit bacterial growth and achieve high-efficiency bactericidal performance. In vitro and in vivo studies demonstrate superior cytocompatibility, accelerating infectious full-thickness cutaneous regeneration through eradicating bacteria and promoting wound healing. The platform's advantage lies in blocking bacterial metabolism by starving them of energy, potentially preventing secondary infections.
Article
Chemistry, Multidisciplinary
Chenjing Gao, Xingwu Guo, Lewen Nie, Xuan Wu, Liming Peng, Juan Chen, Wenjiang Ding
Summary: In this study, a simple and energy-saving method was used to prepare WO3 nanowire film on ITO glass for the first time. By redesigning the film structure and sputtering platinum on the seed layer, the hydrogen gasochromic properties of the film were significantly improved. This research offers a new approach for seed layer technology and structural design of WO3 film.
ADVANCED MATERIALS INTERFACES
(2022)
Article
Engineering, Manufacturing
Qingchen Deng, Yujuan Wu, Qianye Wu, Yanting Xue, Yu Zhang, Liming Peng, Wenjiang Ding
Summary: A high-strength Mg alloy was prepared using laser powder bed fusion, and the microstructure and mechanical properties were studied in different states. The alloy exhibited improved strength and ductility after solution heat treatment and aging treatment.
ADDITIVE MANUFACTURING
(2022)
Article
Pharmacology & Pharmacy
Fengwu Chen, Huarong Peng, Haiyun Liu, Liming Peng
Summary: Anlotinib can improve the efficacy of treatment for advanced NSCLC, and the efficacy is affected by patient age, tumor stage, tumor diameter, and EGFR mutation.
INTERNATIONAL JOURNAL OF PHARMACOLOGY
(2022)
Article
Chemistry, Physical
Qingchen Deng, Yu Zhang, Ziyi Liu, Zhiyu Chang, Ning Su, Yujuan Wu, Longlong Hao, Liming Peng, Wenjiang Ding
Summary: In this study, a Mg-10Gd-0.2Zr alloy achieved excellent strength-ductility synergy through laser powder bed fusion. The unique microstructure of the alloy, which includes heterogeneous grain structure, intragranular lamellae substructure, and nano-sized precipitates, contributes to the superior mechanical properties.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Materials Science, Multidisciplinary
Qun Luo, Xingrui Li, Qian Li, Lingyang Yuan, Liming Peng, Fusheng Pan, Wenjiang Ding
Summary: The addition of La element to Al-Si alloy has significant improvement effects, achieving refinement of α-Al grains and modification of eutectic Si simultaneously.
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
(2023)
Article
Materials Science, Multidisciplinary
Qingchen Deng, Xingchen Wang, Qiao Lan, Zhiyu Chang, Zehua Liu, Ning Su, Yujuan Wu, Dazhi Liu, Liming Peng, Wenjiang Ding
Summary: This study systematically investigated the effects of laser power and scanning speed on the LPBF process of Mg-15Gd-1Zn-0.4Zr alloy. Experimental results showed that the depth and width of remelted track and porosity varied significantly despite using the same linear energy density value but different combinations of laser power and scanning speed values, indicating the limitations of linear energy density when changing laser power and scanning speed simultaneously. Sensitivity analysis revealed that scanning speed had a greater impact on the depth and width of remelted track, while laser power had a greater impact on porosity. Therefore, using linear energy density as a design parameter for LPBF may not always be reliable.
MATERIALS CHARACTERIZATION
(2022)
Article
Materials Science, Multidisciplinary
Zhengwei Li, Zhiwu Xu, Liming Peng, Jiuchun Yan
Summary: In this study, ultrasonic-assisted transient liquid bonding (UATLP) was used to join dissimilar Al/Mg alloys with a pure Zn interlayer in the air to prevent the formation of Al-Mg intermetallic compounds (IMCs). The effects of bonding temperature, ultrasonic power, sonotrode pressure, and interlayer thickness on the microstructure and mechanical properties of the bonded joints were investigated. It was found that the addition of a Zn interlayer effectively suppressed the formation of Al-Mg IMCs. The study also revealed that high ultrasonic power, large sonotrode pressure, and thin Zn interlayer could reduce the thickness of MgZn2.
MATERIALS CHARACTERIZATION
(2022)
Review
Chemistry, Physical
Chenjing Gao, Xingwu Guo, Lewen Nie, Xuan Wu, Liming Peng, Juan Chen
Summary: WO3 is a potential material for hydrogen sensors due to its color change when exposed to H2. However, the progress in gasochromism of WO3 in the past decade has been rarely summarized. This review introduces three mechanism models and extensively surveys the preparation methods of WO3 gasochromic film, as well as summarizes the films with excellent performances and presents future research perspectives.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Andrology
Ravi Jasuja, Karol M. Pencina, Daniel J. Spencer, Liming Peng, Fabiola Privat, Waljit Dhillo, Channa Jayasena, Frances Hayes, Bu B. Yeap, Alvin M. Matsumoto, Shalender Bhasin
Summary: This study determined the reference intervals for free testosterone (FT) levels in healthy nonobese men and found that FT levels decrease with age. It also found negative associations between FT levels and body mass index, age, and sex hormone-binding globulin (SHBG) levels. However, further validation of these reference intervals in other populations is needed.
Article
Chemistry, Physical
Chenjing Gao, Xingwu Guo, Lewen Nie, Xuan Wu, Liming Peng, Juan Chen
Summary: A two-step solvothermal method was used to prepare nanostructured WO3 film composed of single crystal WO3 nanowires, achieving more flexible morphology control than the traditional one-step method. A novel charging-immersing method was employed to load catalyst Pt on the WO3 film, resulting in a gasochromic film. The film synthesized by the two-step method exhibited improved transmittance, coloring rate, and bleaching rate compared to the two one-step films. This study presents a new strategy for morphology control of nanostructured WO3 film and catalyst loading.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Materials Science, Multidisciplinary
Lewen Nie, Xingwu Guo, Chenjing Gao, Xuan Wu, Juan Chen, Liming Peng
Summary: Hierarchical ZnO/WO3 composite films with ordered porous ZnO and slender WO3 nanowires structure were successfully prepared by the colloidal template method and solvothermal method. After loading Pt catalyst, the composite films exhibited a shorter response time to H2 gas and a decreased transmittance at room temperature.
Review
Metallurgy & Metallurgical Engineering
Peng Liming, Deng Qingchen, Wu Yujuan, Fu Penghuai, Liu Ziyi, Wu Qianye, Chen Kai, Ding Wenjiang
Summary: Selective laser melting (SLM) additive manufacturing technology has great potential for the production of high-performance complex metal components due to its high processing accuracy, short manufacturing cycle, and high material usage. Magnesium (Mg) alloys, as the lightest metal structural material, offer advantages such as low density, high specific strength and stiffness, good damping and shock absorption performance, and biodegradability. Therefore, employing SLM for the manufacture of Mg alloys is worthwhile to expand their application scope. This study provides a comprehensive review on SLM of Mg alloys, covering topics such as preparation of Mg alloy powders, SLM process parameters, metallurgical defects, microstructure and mechanical properties of the as-built state, post-processing, and special equipment developed for SLM of Mg alloys. Finally, the future development trends of SLM of Mg alloys are explored.
ACTA METALLURGICA SINICA
(2023)
