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Machine learning enhanced analysis of EBSD data for texture representation

npj Computational materials 2024年第1期10卷 1887-1897页

作者： J.Wanni C.A.Bronkhorst D.J.Thoma Department of Materials Science and Engineering University of Wisconsin-MadisonMadisonWI 53706USA Department of Mechanical Engineering University of Wisconsin-MadisonMadisonWI 53706USA

Generating reduced-order,synthetic grain structure datasets that accurately represent the measured grain structure of a material is important for reducing the cost and increasing the accuracy of computational crystal plasticity *** study introduces a machine-learning-based approach,termed texture adaptive clustering and sampling(TACS),for generating representative Euler angle datasets that accurately mimic the crystallographic *** TACS approach employs K-means clustering and density-based sampling in a closed-loop iteration to create representative Euler angle ***-of-principle experiments were performed on rolled and recrystallized low-carbon *** of the TACS approach was extended to twenty-two datasets,varying lattice structures,and complex crystallographic textures,thereby encompassing a broad range of materials and crystal ***-Smirnov(K-S)test comparisons underscore the performance of the TACS approach over traditional electron backscatter diffraction EBSD dataset reduction techniques,with average K-S test scores nearing 0.9,indicating a high-fidelity representation of the original *** contrast,conventional methods display scores below 0.3,indicating less reliability of the structure *** independence of the TACS approach from material texture and its capability to autonomously generate datasets with predetermined data points demonstrates its unbiased potential in streamlining dataset preparation for crystallographic analysis.

关键词： structure independence texture

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Multi-objective parametric optimization process of hybrid reinforced titanium metal matrix composite through Taguchi-Grey relation analysis (TGRA)

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Journal of engineering and Applied science 2024年第1期71卷 146页

作者： Gemeda, Birhane Assefa Sinha, Devendra Kumar Mengesha, Getinet Asrat Gautam, Satyam Shivam Mechanical Engineering Department School of Mechnaical Chemical and Materials Engineering Center of Excellence Advanced Manufcaturing Engineering Adama Science & ampTechnology University Adama City Ethiopia Materials Science and Engineering department School of Mechanical Chemical and Materials Engineering Adama Science & ampTechnology University Adama City Ethiopia Department Mechanical Engineering North Eastern Regional Institute of Science and Technology Arunachal Pradesh Itanagar791109 India

Hybrid titanium metal matrix composites (HTMMCs) are advanced composite materials that can be tailored to a variety of applications. Because of their decreased fuel consumption and cost, they are popular in the transportation industry. Using multi-objective optimization and Taguchi-based Grey relational analysis (TGRA), this study investigates the impact of hybrid reinforced HTMMCs synthesized using powder metallurgy on their physic mechanical properties. The research investigates reinforcements such as B4C, SiC, ZrO2, and MoS2 at various compaction pressures, milling durations, and sintering temperatures. The best powder metallurgy control parameters for HTMMC synthesis, with a milling time of 5 h, a compaction pressure of 40 MPa, a sintering temperature of 1200 °C, and a sintering time of 1 h, and a compaction time of 40 min. According to validation results, HTMMC material with optimized process parameters had experimental densities, porosities, hardness, compressive strength, and wear rates of 4.29 gm/cm3, 0.1178%, 71.53RHN, 2782.36 MPa, and 0.1519 mm3 correspondingly. The material hardness was increased by 1.99% and compressive strength by 2.87%. The use of Taguchi and GRA techniques strongly verified that the impact of milling duration and sintering temperature was the greatest of all five factors. The novel synthesized hybrid reinforcing HTMMCs outperformed pure Ti grade 5 and single and double fortified HTMMCs in terms of physic mechanical characteristics. As a result, the newly developed tetra hybrid reinforced HTMMC material is expected to be used in heavy-duty vehicles, aerospace, automobiles, maritime, and other industries. © The Author(s) 2024.

关键词： Reinforcement

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Texture development and surface reconstruction of BiVO_(4)photoanode via one-pot hydrothermal reaction for enhanced photoelectrochemical water splitting

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Journal of Advanced Ceramics 2025年第3期14卷 133-141页

作者： Sung Won Hwang Yoo Jae Jeong Runfa Tan Indhujasri Saravanan Hyun Soo Han Dong Hoe Kim In Sun Cho Department of Energy Systems Research Ajou UniversitySuwon 16499Republic of Korea Department of Material Science&Engineering Ajou UniversitySuwon 16499Republic of Korea Department of Mechanical Engineering Stanford UniversityStanford 94305USA Department of Material Science&Engineering Korea UniversitySeoul 02841Republic of Korea Materials Science and Engineering Program University of Colorado BoulderBoulder 80303USA

The simultaneous optimization of the bulk and surface characteristics of photoelectrodes is essential to maximize their photoelectrochemical(PEC)*** report a novel one-pot hydrothermal synthesis of textured and surface-reconstructed BiVO_(4)photoanodes(ts-BVO),achieving significant improvements in PEC water *** controlling precursor molarity and ethylene glycol(EG)addition,we developed a stepwise dual reaction(SDR)mechanism,which enables simultaneous bulk texture development and surface *** optimized CoBi/ts-BVO photoanode exhibited a photocurrent density of 4.3 mA∙cm^(−2)at 1.23 V *** hydrogen electrode(RHE)with a high Faradaic efficiency of 98%under one sun *** with nontextured BiVO_(4),the charge transport efficiency increased from 8%to 70%,whereas the surface charge transfer efficiency improved from 9%to 85%.These results underscore the critical role of both bulk and surface engineering in enhancing PEC *** findings offer a streamlined approach for improving the intrinsic properties of photoanodes in solar water splitting.

关键词： BiVO_(4) hydrothermal texture surface reconstruction ethylene glycol(EG) photoelectrochemical water splitting

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Entropy-modulated and interlayer-doped transition metal layered oxides enable high-energy-density sodium-ion capacitors

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Nano Research 2024年第10期17卷 8785-8793页

作者： Tiansheng Wang Yadong Li Zhengyuan Chen Qingshan Liu Jian Lang Langyuan Wu Wendi Dong Zhengyu Ju Hongsen Li Xiaogang Zhang Guihua Yu College of Physics Qingdao UniversityQingdao 266071China Jiangsu Key Laboratory of Materials and Technologies for Energy Storage College of Materials Science and TechnologyNanjing University of Aeronautics and AstronauticsNanjing 210016China Materials Science and Engineering Program and Walker Department of Mechanical Engineering The University of Texas at AustinAustin 78712USA

In recent years,sodium-ion capacitors have attracted attention due to their cost-effectiveness,high power density and similar manufacturing process to lithium-ion ***,the utilization of oxide electrodes in traditional sodium-ion capacitors restricts their further advancement due to the inherent low operating voltage and electrolyte consumption based on their energy storage *** address these challenges,we incorporated Zn,Cu,Ti,and other elements into Na_(0.67)Ni_(0.33)Mn_(0.67)O_(2) to synthesize P2-type Na_(0.7)Ni_(0.28)Mn_(0.6)Zn_(0.05)Cu_(0.02)Ti_(0.05)O_(2) with a modulated entropy and pillaring *** the synergistic interplay between the interlayer pillar and the entropy modulation within the layers,the material exhibits exceptional toughness,effectively shielding it from detrimental phase transitions at elevated voltage *** a result,the material showcases outstanding kinetic properties and long-term cycling stability across the voltage *** integrating these materials with hierarchical porous carbon nanospheres to form a"rocking chair"sodium-ion capacitor,the hybrid full device delivers a high energy density(171 Wh·kg^(-1))and high power density(5245 W·kg^(-1)),as well as outstanding cycling stability(77% capacity retention after 3000 cycles).This work provides an effective material development route to realize simultaneously high energy and power for next-generation sodium-ion capacitors.

关键词： sodium-ion capacitors entropy modulation high power density long-term cycling layered oxide

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A systematic study of thermomechanical properties and calcium–magnesium–aluminosilicate(CMAS)corrosion of multicomponent rare-earth phosphates

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Journal of Advanced Ceramics 2024年第11期13卷 1807-1822页

作者： Keith Bryce Bishnu Pada Majee Liping Huang Jie Lian Department of Mechanical Aerospace and Nuclear EngineeringRensselaer Polytechnic InstituteNY 12180USA Department of Materials Science&Engineering Rensselaer Polytechnic InstituteNY 12180USA

Multicomponent rare earth phosphates hold immense potential as next-generation environmental barrier coatings(EBCs),offering enormous possibilities and flexibility by controlling and varying their components and fractions to tailor their *** this work,the key material parameters(e.g.,ionic size and ionic size disorder)and the elements governing their thermal‒mechanical properties and resistance against calcium‒magnesium‒aluminosilicate(CMAS)corrosion were *** thermal conductivities of multicomponent rare-earth phosphates correlate well with cation size disorder,but no clear trend is identified for the coefficient of thermal expansion(CTE).Er-containing compositions display low CTEs and high fracture *** formation of a dense interfacial layer occurs for most CAMS corrosion-resistant compositions when tested at 1300°C,e.g.,(Lu_(0.2)Yb_(0.2)Er_(0.2)Y_(0.2)Gd_(0.2))PO_(4) and(Lu_(0.2)Yb_(0.2)Er_(0.2)Dy_(0.2)Gd_(0.2))PO_(4).These multicomponent phosphates also display the least recession upon molten CMAS attack at 1400°C without significant volumetric swelling,which is superior to their single-component counterparts and state-of-the-art EBCs based on rare-earth *** contrast,Sc-containing multicomponent phosphates display inferior performance against CMAS corrosion and penetration.A mechanistic understanding and understanding of the kinetics of the interfacial interaction at higher temperatures,as well as the key parameters governing their thermomechanical properties and CMAS corrosion,are valuable for designing data-driven materials of multicomponent phosphates for EBC applications.

关键词： environmental barrier coating(EBC) high-entropy ceramics(HECs) rare earth phosphates

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Surface spinel reconstruction to suppress detrimental phase transition for stable LiNi_(0.8)CO_(0.1)Mn_(0.1)O_(2) cathodes

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Nano Research 2023年第1期16卷 513-520页

作者： Qingmeng Gan Ning Qin Zhiqiang Li Shuai Gu Kemeng Liao Kaili Zhang Li Lu Zhenghe Xu Zhouguang Lu Department of Materials Science and Engineering Shenzhen Key Laboratory of Interfacial Science and Engineering of MaterialsSouthern University of Science and TechnologyShenzhen 518055China Department of Mechanical Engineering National University of Singapore117575Singapore Department of Mechanical Engineering City University of Hong Kong83 Tat Chee AvenueHong Kong 999077China

Nickel-rich layered oxides are attractive cathode for lithium-ion batteries(LIBs)because of the high energy density and low *** critical problem is capacity fading caused by the highly reactive metastable phases under voltages of higher than 4.15 ***,we find that facile Ar/H2 plasma treating could produce oxygen vacancies that will readily transform into homogeneous spinel layer(~6 nm)on the LiNi_(0.8)CO_(0.1)Mn_(0.1)O_(2)(NCM811)surface after a few cycles of lithiation/delithiation *** to the structural matching between spinel and layered structure,the diffusion of Li ions could remain fast upon ***,the spinel layer is electrochemically inert,which guarantees surface stabilization and inhibits the detrimental phase transition from H2 to H3 at high *** the protection of the homogeneous spinel layer,the NCM_(811) electrode shows superior capacity retention of 91.2% after 200 cycles at the current density of 100 mA·g^(−1).This work proposes a novel strategy of surface reconstruction to stabilize nickel-rich layered oxide materials for LIBs.

关键词： lithium-ion batteries nickel-rich cathode surface spinel reconstruction phase transition superior stability

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Microstructure and mechanical behavior of AXM Mg alloy systems—A review

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Journal of Magnesium and Alloys 2024年第7期12卷 2624-2646页

作者： N.Thanabal R.Silambarasan P.Seenuvasaperumal Dudekula Althaf Basha A.Elayaperumal School of Mechanical Engineering Vellore Institute of TechnologyVellore 632014India Department of Metallurgical Engineering and Materials Science Indian Institute of Technology IndoreIndore 453552India Department of Mechanical Engineering Engineering Design DivisionCEG CampusAnna UniversityChennai 600025India

Automobiles are the inevitable mode of ***,increasing fuel prices and carbon dioxide emissions are posing a serious threat to automobile users and the ***,the development of new lightweight materials has been a key area of ***-based commercial alloys(AZ and ZK series alloys)are the lightest among all structural ***,there is still a question about the replacement of Aluminum-based alloys due to HCP crystal *** this connection,Mg-Al-Ca-Mn(AXM)Mg alloy can be a choice as an alternative to the existing Mg-based commercial alloys for structural *** contains(Al,Mg)_(2)Ca,Al_(2)Ca,Mg_(2)Ca,and Al_(8)Mn_(5)as the secondary phases,contributing to the microstructural refinement and property ***,the formation of those precipitates depends on the amount of Al,Ca,and Mn,especially,the Ca/Al *** addition,the secondary processes influence the grain refinement and property enhancement of texture ***,this review article focuses on elaborating on the significance of the Ca/Al ratio for the precipitate formation,secondary process,and texture *** co-segregation behavior of other micro-alloying elements like Cerium,Lanthanum,and Zinc in AXM Mg alloy systems has also been discussed for property enhancement.

关键词： AXM Mg alloy Rolling Extrusion Texture

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Technical and economic feasibility analysis of a subsea shuttle tanker for CO2 transport to the troll field

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Marine Systems and Ocean Technology 2025年第1期20卷 1-15页

作者： Doust, Arash Shahbazi Undstad, Fredrik Hovden Klis, Pawel Xing, Yihan Ma, Yucong Faculty of Science and Technology Department of Mechanical and Structural Engineering and Materials Science University of Stavanger Stavanger4021 Norway

The Subsea Shuttle Tanker (SST) was presented by the authors as an innovative and cost-effective solution in several research works. This new approach offers a viable alternative to subsea pipelines and shuttle tanker ships for transporting liquid CO2 from onshore facilities to marginal offshore reservoirs. A previous technical–economic feasibility study found that the SST is generally economically competitive to the subsea pipelines and shuttle tanker ships for distances below 180 km and CO2 transport volumes of one million tons per annum (mtpa). The economic cost models are based on those developed in Maritime UN-manned Navigation through Intelligence in Network (MUNIN) D 9.3 and the Zero Emission Platform (ZEP) projects. This paper will take this previous study further by focusing on performing the technical and economic feasibility analysis for operation in the Troll field on the Norwegian continental shelf (NCS), which has a transport distance of 65 km and a CO2 volume of 1.5 mtpa. Two SST design solutions are investigated by downscaling and upscaling the reference baseline design to evaluate SST’s technical feasibility. Using the abovementioned cost models, the CO2 transportation cost per ton using SST is compared with subsea pipelines and tanker ships. The numerical results show that it is economically feasible to manufacture SST with cargo capacities of 4453 m3 and 2203 m3. Furthermore, the results show that the SST is the most cost-effective option for transporting low-volume CO2 (1.5 mtpa) over short distances. © The Author(s) 2025.

关键词： Cost effectiveness

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Unveiling the size effect of nitrogen-doped carbon-supported copper-based catalysts on nitrate-to-ammonia electroreduction

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Nano Research 2024年第4期17卷 2438-2443页

作者： Ran Li Taotao Gao Wenxi Qiu Minghao Xie Zhaoyu Jin Panpan Li College of Materials Science and Engineering Sichuan UniversityChengdu 610065China Institute for Advanced Study Chengdu UniversityChengdu 610106China Materials Science and Engineering Program and Walker Department of Mechanical Engineering The University of Texas at AustinAustinTexas 78712USA Institute of Fundamental and Frontier Sciences University of Electronic Science and Technology of ChinaChengdu 610054China

The electrocatalytic nitrate reduction reaction(NitRR)represents a promising approach toward achieving economically and environmentally sustainable ***,it remains a challenge to regulate the size effect of electrocatalysts to optimize the catalytic activity and ammonia ***,the Cu-based catalysts were tailored at the atomic level to exhibit a size gradient ranging from single-atom catalysts(SACs,0.15–0.35 nm)to single-cluster catalysts(SCCs,1.0–2.8 nm)and nanoparticles(NPs,20–30 nm),with the aim of studying the size effect for the NO_(3)^(-)-to-NH_(3) reduction ***,the Cu SCCs exhibit enhanced metal–substrate and metal–metal interactions by taking advantageous features of Cu SACs and Cu ***,Cu SCCs achieve exceptional electrocatalytic performance for the NitRR with a maximum Faradaic efficiency of ca.96%NH_(3)and the largest yield rate of ca.1.99 mg·h^(-1)·cm^(-2) at-0.5 V *** hydrogen electrode(RHE).The theoretical calculation further reveals the size effect and coordination environment on the high catalytic activity and selectivity for the *** work provides a promising various size-controlled design strategy for aerogel-based catalysts effectively applied in various electrocatalytic reactions.

关键词： nitrate electroreduction ammonia electrosynthesis size effect single-cluster catalyst

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Twin-solute, twin-dislocation and twin-twin interactions in magnesium

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Journal of Magnesium and Alloys 2023年第10期11卷 3427-3462页

作者： Yuan Yue Jian Wang Jian-Feng Nie Department of Materials Science and Engineering Monash UniversityVictoria 3800Australia Department of Mechanical&Materials Engineering University of Nebraska-LincolnLincolnNE 68583USA

Magnesium alloys have received considerable research interest due to their lightweight,high specific strength and excellent ***,their plastic deformation is more complicated compared to cubic materials,primarily because their low-symmetry hexagonal closepacked(hcp) crystal *** twinning is a crucial plastic deformation mechanism in magnesium,and twins can affect the evolution of microstructure by interacting with other lattice defects,thereby affecting the mechanical *** paper provides a review of the interactions between deformation twins and lattice defects,such as solute atoms,dislocations and twins,in magnesium and its *** review starts with interactions between twin boundaries and substitutional solutes like yttrium,zinc,silver,as well as interstitial solutes like hydrogen and *** is followed by twin-dislocation interactions,which mainly involve those between {10■2} tension or {10■1} compression twins and , or type *** following section examines twin-twin interactions,which occur either among the six variants of the same {10■2} or {10■1} twin,or between different types of *** resulting structures,including twin-twin junctions or boundaries,tension-tension double twin,and compression-tension double twin,are discussed in ***,this review highlights the remaining research issues concerning the interactions between twins and lattice defects in magnesium,and provides suggestions for future work in this area.

关键词： Magnesium alloys Twin-solute interactions Twin-dislocation interactions Twin-twin interactions Microstructure mechanical properties

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