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Local-distortion-informed exceptional multicomponent transition-metal carbides uncovered by machine learning

npj Computational materials 2024年第1期10卷 1576-1585页

作者： Jun Zhang Liu He Yaoxu Xiong Shasha Huang Biao Xu Shihua Ma Xuepeng Xiang Haijun Fu Jijung Kai Zhenggang Wu Shijun Zhao Department of Mechanical Engineering City University of Hong KongHong KongChina College of Materials Science and Engineering Hunan UniversityChangshaHunan410082China Hong Kong Institute for Advanced Study City University of Hong KongHong KongChina

Developing high-performance multicomponent ceramics,which are promising in solving challenges posed by emerging technologies,shows grand difficulties because of the immense compositional space and complex local *** this work,an accurate machine learning(ML)model built upon an ab initio database is developed to predict the mechanical properties and structural distortions of multicomponent transition metal carbides(MTMCs).

关键词： carbides distortion multicomponent

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Understanding the Thermal Impedance of Silicone Rubber/Hexagonal Boron Nitride Composites as Thermal Interface materials

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Chinese Journal of Polymer science 2024年第3期42卷 352-363,I0008页

作者： Yuan Ji Shi-Da Han Hong Wu Shao-Yun Guo Feng-Shun Zhang Jian-Hui Qiu The State Key Laboratory of Polymer Materials Engineering Sichuan Provincial Engineering Laboratory of Plastic/Rubber Complex Processing TechnologyPolymer Research InstituteSichuan UniversityChengdu 610065China Institute of Chemical Materials China Academy of Engineering PhysicsMianyang 621900China Department of Mechanical Engineering Faculty of Systems Science and TechnologyAkita Prefectural UniversityAkita 015-0055Japan

Silicone rubber(SR) composites are most widely used as thermal interface materials(TIMs) for electronics heat dissipation. Thermal impedance as the main bottleneck limiting the performance of TIMs is usually neglected. Herein, the thermal impedance of SR composites loaded with different levels of hexagonal boron nitride(h-BN) as TIMs was elaborated for the first time by the ASTM D 5470 standard test and finite element analysis. It was found that elastic modulus and surface roughness of SR composites increased with the increase of h-BN content, indicating that the conformity was reduced. When the assembly pressure was 0.69 MPa, there existed an optimal h-BN content at which the contact resistance was minimum(0.39 K·cm^(2)·W^(-1)). Although the decreased bond line thickness(BLT) by increasing the assembly pressure was beneficial to reduce the thermal impedance, the proper assembly pressure should be selected to prevent the warpage of the contact surfaces and the increase in contact resistance, according to the compression properties of the SR composites. This study provides valuable insights into fabrication of high-performance TIMs for modern electronic device applications.

关键词： Thermal interface materials Hexagonal boron nitride Thermal impedance Surfaces

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Intermittent oxidation kinetics and metal/oxide interfacial undulation

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Physical Review B 2024年第8期110卷 085402-085402页

作者： Dongxiang Wu Xianhu Sun Judith C. Yang Guangwen Zhou Department of Mechanical Engineering & Materials Science and Engineering Program Department of Chemical and Petroleum Engineering

The phenomenon of oxygen adsorption induced surface restructuring is widespread across various metal-oxygen systems, yet its impact on initiating bulk oxide formation remains largely unexplored. Through in situ atomic-resolution electron microscopy observations of surface oxidation of Cu(110) and Cu85Au15(110), we unveil intermittent oxide-film growth modulated by oxygen-induced surface restructuring. This modulation is evidenced by repeated pinning of the Cu2O growth front at isolated Cu columns of the c(6×2)-O reconstruction, owing to required long-range diffusion of Cu and O atoms to the Cu2O growth front. We reveal that Cu vacancies, generated at the Cu2O growth front, are injected into the Cu2O/Cu interface, inducing hill and valley undulation of the Cu2O film. In contrast, atomic vacancies produced during the Cu85Au15(110) oxidation preferentially migrate into interfaces between Au-rich and Au-poor regions in the bulk, resulting in a flat and adherent Cu2O film. These findings demonstrate the critical role of oxygen-induced surface restructuring in modulating oxide film growth kinetics and the manipulability of the fate of injected vacancies by alloying, thereby offering insights applicable to a broader range of metal-oxygen systems for fine-tuning oxidation kinetics and enhancing oxide/metal interfacial adhesion.

关键词： Surface & interfacial phenomena Surface reconstruction Surface growth Density functional theory Transmission electron microscopy

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A high-performance degradable Mg alloy suturing staple for single-arm oral stapling robot

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Journal of Magnesium and Alloys 2024年第10期12卷 4096-4118页

作者： Q.H.Wang S.S.Liang F.S.Yuan B.Y.Liu J.Z.Yu W.Wang N.Fakhar H.X.Li State Key Laboratory for Advanced Metals and Materials University of Science and Technology BeijingBeijing 100083China Center of Digital Dentistry Peking University Hospital of StomatologyBeijing 100081China College of Engineering Peking UniversityBeijing 100871China School of Mechanical Engineering and Automation Beihang UniversityBeijing 100191China Mechanical Engineering Department Hamedan University of TechnologyHamedanIran

Minimally invasive surgery(MIS)robots,such as single-arm stapling robots,are key to oral and maxillofacial surgery because they overcome space constraints in the oral cavity and deep ***,biodegradable suture staples should be developed for the single-arm stapling robots to avoid a secondary *** this aim,a new type of Mg-3Zn-0.2Ca-2Ag biodegradable alloy wire was developed in this study applied as suture *** tensile strength,yield strength,and elongation are 326.1 MPa,314.5 MPa,and 19.6%,***,the alloy wire attains the highest yield strength value reported among all the biodegradable Mg wires,which is mainly attributed to fine grain strengthening and second phase strengthening such as Mg_(2)Zn_(11) nano phase ***,the corrosion rate of this alloy wire in simulated body fluid(SBF)reaches 26.8 mm/y,the highest value among all the biodegradable Mg alloy wires reported so far,which is mainly from the intensified galvanic corrosion between the Ag17Mg54 phase and the Mg *** vitro studies demonstrate that the alloy wire exhibits good blood compatibility and low *** cone beam computed tomography(CBCT)data shows that the suture staple made of the Mg alloy wire provides better mechanical support in the early postoperative *** the single arm robot tests,it confirms that suture staples can close the wound tightly and remain stable over *** research provides a good material selection for the automated suturing in oral and throat surgery robots.

关键词： Biodegradable Mg alloy Suture staples mechanical properties Micro-galvanic corrosion Biocompatibility.

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Strain-magnetization property of Ni-Mn-Ga(Co,Cu) microwires

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Rare Metals 2023年第1期42卷 244-253页

作者： Zhi-Yi Ding Jia-Jie Gao Zeng-Bao Jiao Hong-Hui Wu Ai-Ying Chen Jie Zhu State Key Laboratory for Advanced Metals and Materials University of Science and Technology BeijingBeijing100083China School of Materials Science and Chemistry University of Shanghai for Science and TechnologyShanghai200093China Department of Mechanical Engineering The Hong Kong Polytechnic UniversityHong Kong999077China School of Materials Science and Engineering University of Science and Technology BeijingBeijing100083China

Magnetization associated with reversible phase transformation or rearrangement of martensite variants of two kinds of shape memory alloys under the coupling of tensile stress were *** is the austenitic Ni_(46)Mn_(28)Ga_(20)Co_(3)Cu_(3)micro wire with the [001] preferred orientation,which exhibits enhanced cyclic stability and large fully recoverable strain(> 8%) due to the stress-induced reversible martensitic transformation at room *** other is the Ni_(54)Mn_(24)Ga_(22)microwire with ferromagnetic martensitic phase,which has preferential orientation and also exhibits large tensile *** on the improved mechanical properties,the strain-magnetization effect of the two kinds of microwire under the coupling of orthogonal magnetic field and tensile stress was performed and the results indicate that the magnetization decreases with the increase of tensile ***,the magnetization mechanism related to the magnetostructural evolution under stress-magnetic coupling was *** study provides a new way for smart magnetic microwires for novel non-contact and non-destructive detection.

关键词： Ni-Mn-Ga Magnetic shape memory alloy Strain-magnetization effect Superelasticity Martensitic transformation

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Hierarchical microstructure enables high strength and good ductility in as-cast Fe_(27)Ni_(35)Cr_(18.25)Al_(13.75)Co_(2)Ti_(2)Mo_(2) high-entropy alloy

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Journal of materials science & Technology 2024年第12期179卷 9-21页

作者： Jiacheng Niu Zhiqiang Fu Weiping Chen Tiwen Lu Liangyan Hao Wei Xiong Haiming Wen Guangdong Key Laboratory for Advanced Metallic Materials Processing South China University of TechnologyGuangzhou 510640China National Engineering Research Center of Near-net-shape Forming for Metallic Materials South China University of TechnologyGuangzhou 510640China Key Laboratory of Pressure Systems and Safety Ministry of EducationEast China University of Science and TechnologyShanghai 200237China Physical Metallurgy and Materials Design Laboratory Department of Mechanical Engineering and Materials ScienceUniversity of PittsburghPittsburghPA15261United States of America Department of Materials Science and Engineering Missouri University of Science and TechnologyRollaMissouri 65409United States of America

As-cast alloys often require complex thermomechanical processing to obtain a hierarchical structure to achieve a good combination of strength and *** in this work,a novel hierarchical Fe_(27)Ni_(35)Cr_(18.25)Al_(13.75)Co_(2)Ti_(2)Mo_(2) high-entropy alloy(HEA)with ultra-high tensile strength and excellent ductility was fabricated by direct *** as-cast alloy exhibits hierarchical structure with an ul-trafine lamellar microstructure(ULM),ultrafine rhombus microstructure(URM),ultrafine vermicular mi-crostructure(UVM),nanosized precipitates and spinodal decomposition(SP)that develops during casting and *** incompatibility of face-centered cubic(FCC)and body-centered cubic(BCC)phases in the deformation process leads to heterogeneous deformation-induced(HDI)hardening,which brings the alloy a tensile yield strength(YS)of~1056 MPa,an ultimate tensile strength(UTS)of~1526 MPa and a total elongation(El)of~15.6%.Additionally,the numerous interfaces generated by the hierarchical structure absorb the energy during deformation,effectively retarding the dislocation motion and causing strong work-hardening.

关键词： Direct casting High-entropy alloy Hierarchical microstructure mechanical properties

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Green supercapacitor patterned by synthesizing MnO/laser-induced-graphene hetero-nanostructures on wood via femtosecond laser pulses

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Biochar 2024年第1期6卷 641-654页

作者： Young-Ryeul Kim Han Ku Nam Younggeun Lee Dongwook Yang Truong-Son Dinh Le Seung-Woo Kim Sangbaek Park Young-Jin Kim Department of Mechanical Engineering Korea Advanced Institute of Science and Technology(KAIST)Science TownDaejeon 34141South Korea. Department of Materials Science and Engineering Chungnam National University(CNU)99 Daehak-roYuseong-guDaejeon 34134South Korea.

Eco-friendly next-generation energy storage devices with high energy density are required to meet the increasing demand for sustainable and green ***,their manufacturing requires a lot of chemical precursors and is usually accompanied by chemical waste;it also involves laborious and time-consuming processes such as mixing,heat treating,casting,and ***,we proposed that mass production of microsupercapacitors(MSCs)for green electronics can be achieved by embedding manganese monoxide(MnO)on wood-derived laser-induced-graphene(LIG)via femtosecond laser direct writing(FsLDW)*** direct synthesis of MnO/LIG hetero-nanostructures on wood was realized by drop-casting a small amount of precursor between the first and second *** preceding FsLDW thermochemically converted wood into LIG while the following FsLDW converted the precursor into MnO,resulting in MnO/LIG ***-fabricated MnO/LIG MSC exhibited enhanced areal capacitance(35.54 mF cm^(−2)at 10 mV s^(−1))and capacitance retention(approximately 82.31%after 10,000 cycles)with only a small inclusion of Mn sources(0.66 mg cm^(−2))and short production time(10 min cm^(−2)),which attributes to operate light-emitting diodes,digital clocks,and electronic paper as *** approach enables the green,facile,fast,and cost-effective fabrication of future sustainable energy storage devices from biomass for next-generation green electronics.

关键词： Laser-induced graphene Green energy storage Microsupercapacitors Laser direct writing Ultrafast pulse Biomass

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Application of a Self-Assembly Sensing Layer to Grating Sensor Cabinets for Biomedical Sensing of Rheumatoid Arthritis Antigen-Antibodies

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IEEE Sensors Journal 2024年第7期24卷 10039-10047页

作者： Wen, Hsin-Yi Hsu, Hsiang-Cheng Feng, Wen-Kai Jhan, Kai-Siang Yeh, Yao-Tsung Chiang, Chia-Chin National Kaohsiung University of Science and Technology Department of Chemical and Materials Engineering Kaohsiung80778 Taiwan National Kaohsiung University of Science and Technology College of Maritime Department of Ph.D. Program in Maritime Science and Technology Kaohsiung807618 Taiwan National Kaohsiung University of Science and Technology Department of Mechanical Engineering Kaohsiung80778 Taiwan Fooyin University Department of Medical Laboratory Science and Biotechnology Kaohsiung83102 Taiwan

In this article, we harnessed biomedical applications in laser-assisted etching long-period fiber gratings (LLPFGs) sensors, subsequently deploying them within the realm of biomedical applications. The primary aim of this study was to devise a sensitive method for the detection of antigen-antibodies associated with rheumatoid arthritis (RA) using LLPFGs. Sensing the antigen binding took place on the surface of the optical fiber through a self-assembling process. Given the inherent limitations of conventional rheumatoid factor (RF) testing in terms of specificity, we introduced an innovative serum-based approach geared toward the identification of anti-cyclic citrullinated peptide (Anti-CCP) antibodies. This method exhibited an impressive diagnostic accuracy rate of approximately 80% for RA cases, coupled with an exceptional specificity level of 98% for individuals without RA. The incorporation of LLPFGs in the detection of RA antigen-antibodies presents a highly promising avenue for enhancing the precision and reliability of RA diagnosis. Furthermore, this research aligns closely with the United Nations Sustainable Development Goal (SDG)3, which strives to promote well-being across all age groups and advance sustainable development by addressing health-related challenges, including the accurate diagnosis of diseases like RA. © 2023 IEEE.

关键词： Antibodies

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Dual-single-atoms of Pt-Co boost sulfur redox kinetics for ultrafast Li-S batteries

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Carbon Energy 2024年第3期6卷 53-63页

作者： Hanyan Wu Xuejie Gao Xinyang Chen Weihan Li Junjie Li Lei Zhang Yang Zhao Ming Jiang Runcang Sun Xueliang Sun Center for Lignocellulosic Chemistry and Biomaterials College of Light Industry and Chemical EngineeringDalian Polytechnic UniversityDalianChina Department of Mechanical and Materials Engineering University of Western OntarioLondonOntarioCanada Institute of Physical Science and Information Technology Anhui UniversityHefeiChina

Applications of lithium-sulfur(Li-S)batteries are still limited by the sluggish conversion kinetics from polysulfide to Li_(2)*** various single-atom catalysts are available for improving the conversion kinetics,the sulfur redox kinetics for Li-S batteries is still not ***,in this work,a catalyst with dual-single-atom Pt-Co embedded in N-doped carbon nanotubes(Pt&Co@NCNT)was proposed by the atomic layer deposition method to suppress the shuttle effect and synergistically improve the interconversion kinetics from polysulfides to Li_(2)*** X-ray absorption near edge curves indicated the reversible conversion of Li_(2)Sx on the S/Pt&Co@NCNT ***,density functional theory demonstrated that the Pt&Co@NCNT promoted the free energy of the phase transition of sulfur species and reduced the oxidative decomposition energy of Li_(2)*** a result,the batteries assembled with S/Pt&Co@NCNT electrodes exhibited a high capacity retention of 80%at 100 cycles at a current density of 1.3 mA cm^(−2)(S loading:2.5 mg cm^(−2)).More importantly,an excellent rate performance was achieved with a high capacity of 822.1 mAh g^(−1) at a high current density of 12.7 mA cm^(−2).This work opens a new direction to boost the sulfur redox kinetics for ultrafast Li-S batteries.

关键词： DFT calculation dual-single-atoms of Pt-Co fast Li-sulfur batteries sulfur redox kinetics XANES analysis

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Two-stage dynamic recrystallization and texture evolution in Al-7Mg alloy during hot torsion

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International Journal of Minerals,Metallurgy and materials 2024年第8期31卷 1900-1911页

作者： Kwang Tae Son Chang Hee Cho Myoung Gyun Kim Ji Woon Lee School of Mechanical Industrialand Manufacturing EngineeringOregon State UniversityCorvallis OR 97331USA Department of Materials Science Engineering Northwestern UniversityEvanston IL 60208USA Research Institute of Industrial Science and Technology(RIST) Pohang 37673Rep.of Korea Division of Advanced Materials Engineering Kongju National UniversityCheonan 31080Rep.of Korea Center for Advanced Materials and Parts of Powders Kongju National UniversityCheonan 31080Rep.of Korea

Hot torsion tests were performed on the Al-7Mg alloy at the temperature ranging from 300 to 500℃ and strain rates between 0.05 and 5 s^(-1) to explore the progressive dynamic recrystallization(DRX)and texture *** DRX behavior of the alloy manifested two distinct stages:Stage 1 at strain of≤2 and Stage 2 at strains of≥*** Stage 1,there was a slight increase in the DRXed grain fraction(X_(DRX))with predominance of discontinuous DRX(DDRX),followed by a modest change in X_(DRX) until the transition to Stage *** 2 was marked by an accelerated rate of DRX,culminating in a substantial final X_(DRX) of~*** backscattered diffraction(EBSD)analysis on a sample in Stage 2 revealed that continuous DRX(CDRX)predominantly occurred within the(121)[001]grains,whereas the(111)[110]grains underwent a geometric DRX(GDRX)evolution without a noticeable sub-grain ***,a modified Avrami’s DRX kinetics model was utilized to predict the microstructural refinement in the Al-7Mg alloy during the DRX *** this kinetics model did not accurately capture the DDRX behavior in Stage 1,it effectively simulated the DRX rate in Stage *** texture index was employed to assess the evolution of the texture isotropy during hot-torsion test,demonstrating significant improvement(>75%)in texture randomness before the commencement of Stage *** initial texture evolution is attributed to the rotation of parent grains and the substructure evolution,rather than to an increase in X_(DRX).

关键词： Al-7Mg alloys hot deformation hot torsion tests dynamic recrystazlliation microstructure texture

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