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Databases of 2D material-substrate interfaces and 2D charged building blocks
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作者 邓俊 潘金波 杜世萱 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第2期34-38,共5页
Discovery of materials using“bottom-up”or“top-down”approach is of great interest in materials science.Layered materials consisting of two-dimensional(2D)building blocks provide a good platform to explore new mater... Discovery of materials using“bottom-up”or“top-down”approach is of great interest in materials science.Layered materials consisting of two-dimensional(2D)building blocks provide a good platform to explore new materials in this respect.In van der Waals(vdW)layered materials,these building blocks are charge neutral and can be isolated from their bulk phase(top-down),but usually grow on substrate.In ionic layered materials,they are charged and usually cannot exist independently but can serve as motifs to construct new materials(bottom-up).In this paper,we introduce our recently constructed databases for 2D material-substrate interface(2DMSI),and 2D charged building blocks.For 2DMSI database,we systematically build a workflow to predict appropriate substrates and their geometries at substrates,and construct the 2DMSI database.For the 2D charged building block database,1208 entries from bulk material database are identified.Information of crystal structure,valence state,source,dimension and so on is provided for each entry with a json format.We also show its application in designing and searching for new functional layered materials.The 2DMSI database,building block database,and designed layered materials are available in Science Data Bank at https://doi.org/10.57760/sciencedb.j00113.00188. 展开更多
关键词 2D material-substrate interfaces charged building block database functional-oriented materials design layered materials density functional theory
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Analysis of the Characteristics of Materials Obtained by Recycling Scrap Metal in Guinea
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作者 Alpha Issa Diallo Jean Ahmed Kourouma +1 位作者 Adama Moussa Sakho Alexandre Lucien Richard 《材料科学与工程(中英文A版)》 2024年第1期1-10,共10页
The aim of this study was to determine the quality of rebar produced from recycled scrap metal collected throughout the country,and imported rebar sold in the Republic of Guinea.To do this,the samples were subjected t... The aim of this study was to determine the quality of rebar produced from recycled scrap metal collected throughout the country,and imported rebar sold in the Republic of Guinea.To do this,the samples were subjected to various mechanical tests involving traction,bending and microscopic analysis.In the Lambanyi and Casse Sonfonia samples,all the tensile strength values for diameters 12,14 and 16 were above 550 MPa.Conversely,the iron samples from Baillobaye and the 10 mm diameters of the samples from Casse Sonfonio and Lambanyi have less appreciable values.The limits of elasticity were determined.The various values found vary more or less from the conventional yield strength of the NF A35-016 reference supplied by CBITEC,which is 500 MPa.Microscopic analysis gives us an insight into the internal structure of the iron samples used.This study may provide the company and the vendors with an alternative for their improvements. 展开更多
关键词 Steel in construction recycled scrap strength test TRACTION bending.
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Electrochemical Realization of 3D Interconnected MoS_(3)/PPy Nanowire Frameworks as Sulfur-Equivalent Cathode Materials for Li-S Batteries
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作者 Hongtao Yu Andreas Siebert +9 位作者 Shilin Mei Raul Garcia-Diez Roberto Félix Ting Quan Yaolin Xu Johannes Frisch Regan G.Wilks Marcus Bär Chun Pei Yan Lu 《Energy & Environmental Materials》 SCIE EI CAS CSCD 2024年第2期9-17,共9页
The development of freestanding and binder-free electrode is an effective approach to perform the inherent capacity of active materials and promote the mechanism study by minimizing the interference from additives.Her... The development of freestanding and binder-free electrode is an effective approach to perform the inherent capacity of active materials and promote the mechanism study by minimizing the interference from additives.Herein,we construct a freestanding cathode composed of MoS_(3)/PPy nanowires(NWs)deposited on porous nickel foam(NF)(MoS_(3)/PPy/NF)through electrochemical methods,which can work efficiently as sulfur-equivalent cathode material for Li-S batteries.The structural stability of the MoS_(3)/PPy/NF cathode is greatly enhanced due to its significant tolerance to the volume expansion of MoS_(3)during the lithiation process,which we ascribe to the flexible 3D framework of PPy NWs,leading to superior cycling performance compared to the bulk-MoS_(3)/NF reference.Eliminating the interference of binder and carbon additives,the evolution of the chemical and electronic structure of Mo and S species during the discharge/charge was studied by X-ray absorption near-edge spectroscopy(XANES).The formation of lithium polysulfides was excluded as the driving cathode reaction mechanism,suggesting the great potential of MoS_(3)as a promising sulfur-equivalent cathode material to evade the shuttle effect for Li-S batteries.The present study successfully demonstrates the importance of structural design of freestanding electrode enhancing the cycling performances and revealing the corresponding mechanisms. 展开更多
关键词 3D-Network ELECTROCHEMICAL lithium-sulfur battery MoS_(3) PPY
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Gradient carbonyl-iron/carbon-fiber reinforced composite metamaterial for ultra-broadband electromagnetic wave absorption by multi-scale integrated design 被引量:1
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作者 Qian Zhou Tiantian Shi +7 位作者 Bei Xue Shengyue Gu Wei Ren Fang Ye Xiaomeng Fan Wenyan Duan Zihan Zhang Lifei Du 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS CSCD 2023年第6期1198-1206,共9页
The demand of high-end electromagnetic wave absorbing materials puts forward higher requirements on comprehensive performances of small thickness,lightweight,broadband,and strong absorption.Herein,a novel multi-layer ... The demand of high-end electromagnetic wave absorbing materials puts forward higher requirements on comprehensive performances of small thickness,lightweight,broadband,and strong absorption.Herein,a novel multi-layer stepped metamaterial absorber with gradient electromagnetic properties is proposed.The complex permittivity and permeability of each layer are tailored via the proportion of carbonyliron and carbon-fiber dispersing into the epoxy resin.The proposed metamaterial is further optimized via adjusting the electromagnetic parameters and geometric sizes of each layer.Comparing with the four-layer composite with gradient electromagnetic properties which could only realize reflection loss(RL)of less than−6 dB in 2.0-40 GHz,the optimized stepped metamaterial with the same thickness and electromagnetic properties realizes less than−10 dB in the relevant frequency range.Additionally,the RL of less than−15 dB is achieved in the frequency range of 11.2-21.4 GHz and 28.5-40 GHz.The multiple electromagnetic wave absorption mechanism is discussed based on the experimental and simulation results,which is believed to be attributed to the synergy effect induced by multi-scale structures of the metamaterial.Therefore,combining multi-layer structures and periodic stepped structures into a novel gradient absorbing metamaterial would give new insights into designing microwave absorption devices for broadband electromagnetic protections. 展开更多
关键词 broadband absorption METAMATERIALS gradient impedance multi-scale synergic effect
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p‑Type Two‑Dimensional Semiconductors:From Materials Preparation to Electronic Applications
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作者 Lei Tang Jingyun Zou 《Nano-Micro Letters》 SCIE EI CAS CSCD 2023年第12期242-270,共29页
Two-dimensional(2D)materials are regarded as promising candidates in many applications,including electronics and optoelectronics,because of their superior properties,including atomic-level thickness,tunable bandgaps,l... Two-dimensional(2D)materials are regarded as promising candidates in many applications,including electronics and optoelectronics,because of their superior properties,including atomic-level thickness,tunable bandgaps,large specific surface area,and high carrier mobility.In order to bring 2D materials from the laboratory to industrialized applications,materials preparation is the first prerequisite.Compared to the n-type analogs,the family of p-type 2D semiconductors is relatively small,which limits the broad integration of 2D semiconductors in practical applications such as complementary logic circuits.So far,many efforts have been made in the preparation of p-type 2D semiconductors.In this review,we overview recent progresses achieved in the preparation of p-type 2D semiconductors and highlight some promising methods to realize their controllable preparation by following both the top-down and bottom-up strategies.Then,we summarize some significant application of p-type 2D semiconductors in electronic and optoelectronic devices and their superiorities.In end,we conclude the challenges existed in this field and propose the potential opportunities in aspects from the discovery of novel p-type 2D semiconductors,their controlled mass preparation,compatible engineering with silicon production line,high-κdielectric materials,to integration and applications of p-type 2D semiconductors and their heterostructures in electronic and optoelectronic devices.Overall,we believe that this review will guide the design of preparation systems to fulfill the controllable growth of p-type 2D semiconductors with high quality and thus lay the foundations for their potential application in electronics and optoelectronics. 展开更多
关键词 Two-dimensional materials p-type semiconductor TOP-DOWN BOTTOM-UP ELECTRONICS OPTOELECTRONICS
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Milli-Joule pulses post-compressed from 14 ps to 475 fs in bulk-material multi-pass cell based on cylindrical vector beam
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作者 张旭 王兆华 +4 位作者 王羡之 李佳文 李佳俊 赵国栋 魏志义 《Chinese Physics B》 SCIE EI CAS CSCD 2023年第10期448-452,共5页
A cylindrical vector beam is utilized to enhance the energy scale of the pulse post-compressed in a bulk-material Herriott multi-pass cell(MPC).The method proposed here enables,for the first time to the best of our kn... A cylindrical vector beam is utilized to enhance the energy scale of the pulse post-compressed in a bulk-material Herriott multi-pass cell(MPC).The method proposed here enables,for the first time to the best of our knowledge,pulse compression from 14 ps down to 475 fs with throughput energy beyond 1 mJ,corresponding to a compression ratio of 30,which is the highest pulse energy and compression ratio in single-stage bulk-material MPCs.Furthermore,we demonstrate the characteristic of the vector polarization beam is preserved in the MPC. 展开更多
关键词 cylindrical vector beam post-compression multi-pass cell
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Structural phase transition and transport properties in topological material candidate NaZn_(4)As_(3)
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作者 董庆新 阮彬彬 +7 位作者 黄奕飞 王义炎 张黎博 白建利 刘乔宇 程靖雯 任治安 陈根富 《Chinese Physics B》 SCIE EI CAS CSCD 2023年第6期447-453,共7页
We report a comprehensive study on a layered-structure compound of NaZn_(4)As_(3),which has been predicted to be an ideal topological semimetal(TSM) candidate.It is found that NaZn_(4)As_(3) undergoes a structural tra... We report a comprehensive study on a layered-structure compound of NaZn_(4)As_(3),which has been predicted to be an ideal topological semimetal(TSM) candidate.It is found that NaZn_(4)As_(3) undergoes a structural transformation from high temperature rhombohedral to a low temperature monoclinic phase.The electric resistivity exhibits a metal-to-insulatorlike transition at around 100 K,and then develops a plateau at low temperature,which might be related to the protected topologically conducting surface states.Our first-principles calculation confirms further that NaZn_(4)As_(3) is a topological insulator(TI) for both different phases rather than a previously proposed TSM.The Hall resistivity reveals that the hole carriers dominate the transport properties for the whole temperature range investigated.Furthermore,an obvious kink possibly associated to the structure transition has been detected in thermopower around ~ 170 K.The large thermopower and moderate κ indicate that NaZn_(4)As_(3) and/or its derivatives can provide a good platform for optimizing and studying the thermoelectric performance. 展开更多
关键词 structural phase transition THERMOELECTRIC topological materials crystal growth
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Fabrication of branch-like Aph@LDH-MgO material through organic-inorganic hybrid conjugation for excellent anti-corrosion performance
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作者 Maryam Chafiq Abdelkarim Chaouiki +1 位作者 Rachid Salghi Young Gun Ko 《Journal of Magnesium and Alloys》 SCIE EI CAS CSCD 2023年第7期2469-2485,共17页
Layered double hydroxides(LDH)frameworks have shown significant enhancement in stability and reusability,and their tailorable architecture brings new insight into the development of the next generation of hybrid mater... Layered double hydroxides(LDH)frameworks have shown significant enhancement in stability and reusability,and their tailorable architecture brings new insight into the development of the next generation of hybrid materials,which attracted considerable attention in many fields over the years.One of the factors contributing to the widespread applicability of layered double hydroxides is their adaptable composition,which can accommodate a wide spectrum of potential anionic guests.This exceptional property makes the LDH system simple to adjust for various applications.However,most LDH systems are synthesized in situ in an autoclave at high temperatures and pressures that severely restrict the industrial use of such coating systems.In this study,LDH was directly synthesized on a magnesium alloy that had undergone plasma electrolytic oxidation(PEO)treatment in the presence of ethylenediaminetetraacetic acid,thereby avoiding the use of hydrothermal autoclave conditions.This LDH system was compared with a hybrid architecture consisting of organic-inorganic self-assembly.An organic layer was fabricated on top of the LDH film using 4-Aminophenol(Aph)compound,resulting in a smart hierarchical structure that can provide a robust Aph@LDH film with excellent anti-corrosion performance.At the molecular level,the conjugation characteristics and adsorption mechanism of Aph molecule were studied using two levels of theory as follows.First,Localized orbit locator(LOL)-πisosurface,electrostatic potential(ESP)distribution,and average local ionization energy(ALIE)on the molecular surface were used to highlight localization region,reveal the favorable electrophilic and nucleophilic attacks,and clearly explore the type of interactions that occurred around interesting regions.Second,first-principles based on density functional theory(DFT)was applied to study the hybrid mechanism of Aph on LDH system and elucidate their mutual interactions.The experimental and computational analyses suggest that the highπ-electron density and delocalization characteristics of the functional groups and benzene ring in the Aph molecule played a leading role in the synergistic effects arising from the combination of organic and inorganic coatings.This work provides a promising approach to design advanced hybrid materials with exceptional electrochemical performance. 展开更多
关键词 Magnesium alloy Surface modification LDH Organic-inorganic hybrid materials Inter-/intra-molecular interactions
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MatChat: A large language model and application service platform for materials science
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作者 陈子逸 谢帆恺 +5 位作者 万萌 袁扬 刘淼 王宗国 孟胜 王彦棡 《Chinese Physics B》 SCIE EI CAS CSCD 2023年第11期173-178,共6页
The prediction of chemical synthesis pathways plays a pivotal role in materials science research. Challenges, such as the complexity of synthesis pathways and the lack of comprehensive datasets, currently hinder our a... The prediction of chemical synthesis pathways plays a pivotal role in materials science research. Challenges, such as the complexity of synthesis pathways and the lack of comprehensive datasets, currently hinder our ability to predict these chemical processes accurately. However, recent advancements in generative artificial intelligence(GAI), including automated text generation and question–answering systems, coupled with fine-tuning techniques, have facilitated the deployment of large-scale AI models tailored to specific domains. In this study, we harness the power of the LLaMA2-7B model and enhance it through a learning process that incorporates 13878 pieces of structured material knowledge data.This specialized AI model, named Mat Chat, focuses on predicting inorganic material synthesis pathways. Mat Chat exhibits remarkable proficiency in generating and reasoning with knowledge in materials science. Although Mat Chat requires further refinement to meet the diverse material design needs, this research undeniably highlights its impressive reasoning capabilities and innovative potential in materials science. Mat Chat is now accessible online and open for use, with both the model and its application framework available as open source. This study establishes a robust foundation for collaborative innovation in the integration of generative AI in materials science. 展开更多
关键词 MatChat materials science generative artificial intelligence
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Energy Landscape and Phase Competition of CsV_(3)Sb_(5),CsV_(6)Sb_(6)and TbMn_(6)Sn_(6)-Type Kagome Materials
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作者 蔡光辉 姜昱韬 +5 位作者 周辉 喻泽 蒋坤 石友国 孟胜 刘淼 《Chinese Physics Letters》 SCIE EI CAS CSCD 2023年第11期78-85,共8页
Finding viable Kagome lattices is vital for materializing novel phenomena in quantum materials.In this study,we performed element substitutions on CsV_(3)Sb_(5)with space group P 6/mmm,TbMn_(6)Sn_(6)with space group P... Finding viable Kagome lattices is vital for materializing novel phenomena in quantum materials.In this study,we performed element substitutions on CsV_(3)Sb_(5)with space group P 6/mmm,TbMn_(6)Sn_(6)with space group P 6/mmm,and CsV_(6)Sb_(6)with space group R3m,as the parent compounds.Totally 4158 materials were obtained through element substitutions,and these materials were then calculated via density functional theory in high-throughput mode.Afterwards,48 materials were identified with high thermodynamic stability(E_(hull)<5 meV/atom).Furthermore,we compared the thermodynamic stability of three different phases with the same elemental composition and predicted some competing phases that may arise during material synthesis.Finally,by calculating the electronic structures of these materials,we attempted to identify patterns in the electronic structure variations as the elements change.This study provides guidance for discovering promising AM_(3)X_(5)/AM_(6)X_(6)Kagome materials from a vast phase space. 展开更多
关键词 THERMODYNAMIC stability
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Fe1+yTexSe1-x:A Delicate and Tunable Majorana Material
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作者 杨发枝 Giao Ngoc Phan +10 位作者 张任杰 赵金 李佳俊 鲁邹有为 John Schneeloch 钟瑞丹 马明伟 顾根大 董晓莉 钱天 丁洪 《Chinese Physics Letters》 SCIE EI CAS CSCD 2023年第1期48-52,共5页
We report the observation for the pz electron band and the band inversion in Fe1+yTexSe1-xwith angleresolved photoemission spectroscopy. Furthermore, we found that excess Fe(y>0) inhibits the topological band inver... We report the observation for the pz electron band and the band inversion in Fe1+yTexSe1-xwith angleresolved photoemission spectroscopy. Furthermore, we found that excess Fe(y>0) inhibits the topological band inversion in Fe1+yTexSe1-x,which explains the absence of Majorana zero modes in previous reports for Fe1+yTexSe1-xwith excess Fe. Based on our analysis of different amounts of Te doping and excess Fe, we propose a delicate topological phase in this material. Thanks to this delicate phase, one may be able to tune the topological transition via applying lattice strain or carrier doping. 展开更多
关键词 SPECTROSCOPY MATERIAL TOPOLOGICAL
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(Ti_(60)Cr_(30)Nb_(10))_(100-x)Al_(x)轻质中熵合金的力学与腐蚀性能
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作者 王浩 陈维平 +3 位作者 郝良彦 褚晨亮 熊伟 付志强 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2024年第1期219-235,共17页
研究轻质(Ti_(60)Cr_(30)Nb_(10))_(100-x)Al_(x)(x=0,5,7.5,10,摩尔分数,%)中熵合金在铸态和均匀化态下的显微组织、力学性能和腐蚀行为。结果表明,随着Al含量从0增加到10%(摩尔分数),铸态合金均由相同的相组成,即体心立方(BCC)相和少... 研究轻质(Ti_(60)Cr_(30)Nb_(10))_(100-x)Al_(x)(x=0,5,7.5,10,摩尔分数,%)中熵合金在铸态和均匀化态下的显微组织、力学性能和腐蚀行为。结果表明,随着Al含量从0增加到10%(摩尔分数),铸态合金均由相同的相组成,即体心立方(BCC)相和少量TiCr2型Laves相组成。均匀化后,所有合金均由单相BCC组成。此外,(Ti_(60)Cr_(30)Nb_(10))_(95)A_(l5)中熵合金表现出在铸态和均匀态条件下最优异的力学性能,屈服强度分别约为1048 MPa和1017 MPa,同时保持超50%压缩应变。与TC4和铸态(Ti_(60)Cr_(30)Nb_(10))_(95)A_(l5)合金相比,均匀态(Ti_(60)Cr_(30)Nb_(10))_(95)A_(l5)合金表现出更优异的耐腐蚀性能,这主要归因于均匀的显微组织与化学成分。 展开更多
关键词 中熵合金 轻质合金 显微组织 力学性能 腐蚀行为
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Unraveling the role of dual Ti/Mg metals on the ignition and combustion behavior of HTPB-boron-based fuel 被引量:1
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作者 Arijit Debnath Yash Pal +1 位作者 Sri Nithya Mahottamananda Djalal Trache 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2024年第2期134-143,共10页
Metal additives play an essential role in explosive and propellant formulations. Boron(B) is widely used in propellant applications owing to its high energetic content. The addition of B to explosives and propellants ... Metal additives play an essential role in explosive and propellant formulations. Boron(B) is widely used in propellant applications owing to its high energetic content. The addition of B to explosives and propellants increases their energy density, making them more efficient and powerful. Nevertheless, B forms oxide layers on its surface during combustion, slowing down the combustion rate and reducing rocket motor efficiency. To overcome this issue, other metal additives such as aluminum(Al), magnesium(Mg),and titanium(Ti) are revealed to be effective in boosting the combustion rate of propellants. These additives may improve the combustion rate and therefore enhance the rocket motor’s performance. The present study focused on preparing and investigating the ignition and combustion behavior of pure hydroxyl-terminated polybutadiene(HTPB)-B fuel supplemented with nano-titanium and nanomagnesium. The burn rates of HTPB-B fuel samples were evaluated on the opposed flow burner(OFB)under a gaseous oxygen oxidizer, for which the mass flux ranges from 22 kg/(m^(2)·s) to 86 kg/(m^(2)·s). The addition of Ti and Mg exhibited higher regression rates, which were attributed to the improved oxidation reaction of B due to the synergetic metal combustion effect. The possible combustion/oxidation reaction mechanism of B-Mg and B-Ti by heating the fuel samples at 900℃ and 1100℃ was also examined in a Nabertherm burnout furnace under an oxygen atmosphere. The post-combustion products were collected and further subjected to X-ray diffraction(XRD) and field emission scanning electron microscopy(FE-SEM) analyses to inspect the combustion behavior of B-Ti and B-Mg. It has been observed that the B oxide layer at the interface between B-Ti(B-Mg) is removed at lower temperatures, hence facilitating oxygen transfer from the surroundings to the core B. Additionally, Ti and Mg decreased the ignition delay time of B, which improved its combustion performance. 展开更多
关键词 BORON B_(2)O_(3) Opposed flow burner Combustion MAGNESIUM
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Transformation of long-period stacking ordered structures in Mg-Gd-Y-Zn alloys upon synergistic characterization of first-principles calculation and experiment and its effects on mechanical properties 被引量:1
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作者 Mingyu Li Guangzong Zhang +4 位作者 Siqi Yin Changfeng Wang Ying Fu Chenyang Gu Renguo Guan 《Journal of Magnesium and Alloys》 SCIE EI CAS CSCD 2024年第5期1867-1879,共13页
Based on experiments and first-principles calculations,the microstructures and mechanical properties of as-cast and solution treated Mg-10Gd-4Y-xZn-0.6Zr(x=0,1,2,wt.%)alloys are investigated.The transformation process... Based on experiments and first-principles calculations,the microstructures and mechanical properties of as-cast and solution treated Mg-10Gd-4Y-xZn-0.6Zr(x=0,1,2,wt.%)alloys are investigated.The transformation process of long-period stacking ordered(LPSO)structure during solidification and heat treatment and its effect on the mechanical properties of experimental alloys are discussed.Results reveal that the stacking faults and 18R LPSO phases appear in the as-cast Mg-10Gd-4Y-1Zn-0.6Zr and Mg-10Gd-4Y-2Zn-0.6Zr alloys,respectively.After solution treatment,the stacking faults and 18R LPSO phase transform into 14H LPSO phase.The Enthalpies of formation and reaction energy of 14H and 18R LPSO are calculated based on first-principles.Results show that the alloying ability of 18R is stronger than that of 14H.The reaction energies show that the 14H LPSO phase is more stable than the 18R LPSO.The elastic properties of the 14H and 18R LPSO phases are also evaluated by first-principles calculations,and the results are in good agreement with the experimental results.The precipitation of LPSO phase improves the tensile strength,yield strength and elongation of the alloy.After solution treatment,the Mg-10Gd-4Y-2Zn-0.6Zr alloy has the best mechanical properties,and its ultimate tensile strength and yield strength are 278.7 MPa and 196.4 MPa,respectively.The elongation of Mg-10Gd-4Y-2Zn-0.6Zr reaches 15.1,which is higher than that of Mg-10Gd-4Y0.6Zr alloy.The improving mechanism of elastic modulus by the LPSO phases and the influence on the alloy mechanical properties are also analyzed. 展开更多
关键词 Mg-Gd-Y-Zn alloys Long-period stacking ordered First-principles calculations ENTHALPIES Mechanical properties
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Reversible solid-liquid conversion enabled by self-capture effect for stable non-flow zinc-bromine batteries 被引量:1
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作者 Xixi Zhang Xiaoke Wang +7 位作者 Guangmeng Qu Tairan Wang Xiliang Zhao Jun Fan Cuiping Han Xijin Xu Chunyi Zhi Hongfei Li 《Green Energy & Environment》 SCIE EI CAS CSCD 2024年第6期1035-1044,共10页
Non-flow aqueous zinc-bromine batteries without auxiliary components(e.g.,pumps,pipes,storage tanks)and ion-selective membranes represent a cost-effective and promising technology for large-scale energy storage.Unfort... Non-flow aqueous zinc-bromine batteries without auxiliary components(e.g.,pumps,pipes,storage tanks)and ion-selective membranes represent a cost-effective and promising technology for large-scale energy storage.Unfortunately,they generally suffer from serious diffusion and shuttle of polybromide(Br^(-),Br^(3-))due to the weak physical adsorption between soluble polybromide and host carbon materials,which results in low energy efficiency and poor cycling stability.Here,we develop a novel self-capture organic bromine material(1,10-bis[3-(trimethylammonio)propyl]-4,4'-bipyridinium bromine,NVBr4)to successfully realize reversible solid complexation of bromide components for stable non-flow zinc-bromine battery applications.The quaternary ammonium groups(NV^(4+)ions)can effectively capture the soluble polybromide species based on strong chemical interaction and realize reversible solid complexation confined within the porous electrodes,which transforms the conventional“liquid-liquid”conversion of soluble bromide components into“liquid-solid”model and effectively suppresses the shuttle effect.Thereby,the developed non-flow zinc-bromide battery provides an outstanding voltage platform at 1.7 V with a notable specific capacity of 325 mAh g^(-1)NVBr4(1 A g^(-1)),excellent rate capability(200 mAh g^(-1)NVBr4 at 20 A g^(-1)),outstanding energy density of 469.6 Wh kg^(-1)and super-stable cycle life(20,000 cycles with 100%Coulombic efficiency),which outperforms most of reported zinc-halogen batteries.Further mechanism analysis and DFT calculations demonstrate that the chemical interaction of quaternary ammonium groups and bromide species is the main reason for suppressing the shuttle effect.The developed strategy can be extended to other halogen batteries to obtain stable charge storage. 展开更多
关键词 Solid-liquid conversion Self-capture Non-flow zinc-bromine batteries Quaternary ammonium
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Ti_(3)C_(2)T_(x) MXene/carbon composites for advanced supercapacitors:Synthesis,progress,and perspectives 被引量:1
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作者 Yanqing Cai Xinggang Chen +4 位作者 Ying Xu Yalin Zhang Huijun Liu Hongjuan Zhang Jing Tang 《Carbon Energy》 SCIE EI CAS CSCD 2024年第2期113-142,共30页
MXenes are a family of two-dimensional(2D)layered transition metal carbides/nitrides that show promising potential for energy storage applications due to their high-specific surface areas,excellent electron conductivi... MXenes are a family of two-dimensional(2D)layered transition metal carbides/nitrides that show promising potential for energy storage applications due to their high-specific surface areas,excellent electron conductivity,good hydrophilicity,and tunable terminations.Among various types of MXenes,Ti_(3)C_(2)T_(x) is the most widely studied for use in capacitive energy storage applications,especially in supercapacitors(SCs).However,the stacking and oxidation of MXene sheets inevitably lead to a significant loss of electrochemically active sites.To overcome such challenges,carbon materials are frequently incorporated into MXenes to enhance their electrochemical properties.This review introduces the common strategies used for synthesizing Ti_(3)C_(2)T_(x),followed by a comprehensive overview of recent developments in Ti_(3)C_(2)T_(x)/carbon composites as electrode materials for SCs.Ti_(3)C_(2)T_(x)/carbon composites are categorized based on the dimensions of carbons,including 0D carbon dots,1D carbon nanotubes and fibers,2D graphene,and 3D carbon materials(activated carbon,polymer-derived carbon,etc.).Finally,this review also provides a perspective on developing novel MXenes/carbon composites as electrodes for application in SCs. 展开更多
关键词 electrochemical performance MXene/carbon composites SUPERCAPACITORS
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Additively manufactured Ti–Ta–Cu alloys for the next-generation load-bearing implants 被引量:1
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作者 Amit Bandyopadhyay Indranath Mitra +4 位作者 Sushant Ciliveri Jose D Avila William Dernell Stuart B Goodman Susmita Bose 《International Journal of Extreme Manufacturing》 SCIE EI CAS CSCD 2024年第1期353-374,共22页
Bacterial colonization of orthopedic implants is one of the leading causes of failure and clinical complexities for load-bearing metallic implants. Topical or systemic administration of antibiotics may not offer the m... Bacterial colonization of orthopedic implants is one of the leading causes of failure and clinical complexities for load-bearing metallic implants. Topical or systemic administration of antibiotics may not offer the most efficient defense against colonization, especially in the case of secondary infection, leading to surgical removal of implants and in some cases even limbs. In this study, laser powder bed fusion was implemented to fabricate Ti3Al2V alloy by a 1:1 weight mixture of CpTi and Ti6Al4V powders. Ti-Tantalum(Ta)–Copper(Cu) alloys were further analyzed by the addition of Ta and Cu into the Ti3Al2V custom alloy. The biological,mechanical, and tribo-biocorrosion properties of Ti3Al2V alloy were evaluated. A 10 wt.% Ta(10Ta) and 3 wt.% Cu(3Cu) were added to the Ti3Al2V alloy to enhance biocompatibility and impart inherent bacterial resistance. Additively manufactured implants were investigated for resistance against Pseudomonas aeruginosa and Staphylococcus aureus strains of bacteria for up to 48 h. A 3 wt.% Cu addition to Ti3Al2V displayed improved antibacterial efficacy, i.e.78%–86% with respect to CpTi. Mechanical properties for Ti3Al2V–10Ta–3Cu alloy were evaluated, demonstrating excellent fatigue resistance, exceptional shear strength, and improved tribological and tribo-biocorrosion characteristics when compared to Ti6Al4V. In vivo studies using a rat distal femur model revealed improved early-stage osseointegration for alloys with10 wt.% Ta addition compared to CpTi and Ti6Al4V. The 3 wt.% Cu-added compositions displayed biocompatibility and no adverse infammatory response in vivo. Our results establish the Ti3Al2V–10Ta–3Cu alloy’s synergistic effect on improving both in vivo biocompatibility and microbial resistance for the next generation of load-bearing metallic implants. 展开更多
关键词 TI6AL4V load-bearing implants additive manufacturing 3D printing antibacterial performance
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Moderate Fields, Maximum Potential: Achieving High Records with Temperature‑Stable Energy Storage in Lead‑Free BNT‑Based Ceramics 被引量:1
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作者 Wenjing Shi Leiyang Zhang +7 位作者 Ruiyi Jing Yunyao Huang Fukang Chen Vladimir Shur Xiaoyong Wei Gang Liu Hongliang Du Li Jin 《Nano-Micro Letters》 SCIE EI CAS CSCD 2024年第5期184-200,共17页
The increasing awareness of environmental concerns has prompted a surge in the exploration of leadfree,high-power ceramic capacitors.Ongoing efforts to develop leadfree dielectric ceramics with exceptional energystora... The increasing awareness of environmental concerns has prompted a surge in the exploration of leadfree,high-power ceramic capacitors.Ongoing efforts to develop leadfree dielectric ceramics with exceptional energystorage performance(ESP)have predominantly relied on multicomponent composite strategies,often accomplished under ultrahigh electric fields.However,this approach poses challenges in insulation and system downsizing due to the necessary working voltage under such conditions.Despite extensive study,bulk ceramics of(Bi_(0.5)Na_(0.5))TiO_(3)(BNT),a prominent lead-free dielectric ceramic family,have seldom achieved a recoverable energy-storage(ES)density(Wrec)exceeding 7 J cm^(−3).This study introduces a novel approach to attain ceramic capacitors with high ESP under moderate electric fields by regulating permittivity based on a linear dielectric model,enhancing insulation quality,and engineering domain structures through chemical formula optimization.The incorporation of SrTiO_(3)(ST)into the BNT matrix is revealed to reduce the dielectric constant,while the addition of Bi(Mg_(2/3)Nb_(1/3))O_(3)(BMN)aids in maintaining polarization.Additionally,the study elucidates the methodology to achieve high ESP at moderate electric fields ranging from 300 to 500 kV cm^(−1).In our optimized composition,0.5(Bi_(0.5)Na_(0.4)K_(0.1))TiO_(3)–0.5(2/3ST-1/3BMN)(B-0.5SB)ceramics,we achieved a Wrec of 7.19 J cm^(−3) with an efficiency of 93.8%at 460 kV cm^(−1).Impressively,the B-0.5SB ceramics exhibit remarkable thermal stability between 30 and 140℃ under 365 kV cm^(−1),maintaining a Wrec exceeding 5 J cm^(−3).This study not only establishes the B-0.5SB ceramics as promising candidates for ES materials but also demonstrates the feasibility of optimizing ESP by modifying the dielectric constant under specific electric field conditions.Simultaneously,it provides valuable insights for the future design of ceramic capacitors with high ESP under constraints of limited electric field. 展开更多
关键词 BNT Energy storage LEAD-FREE Relaxor ferroelectrics Capacitors
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Anelasticity to plasticity transition in a model two-dimensional amorphous solid
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作者 尚宝双 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第1期143-147,共5页
Anelasticity, as an intrinsic property of amorphous solids, plays a significant role in understanding their relaxation and deformation mechanism. However, due to the lack of long-range order in amorphous solids, the s... Anelasticity, as an intrinsic property of amorphous solids, plays a significant role in understanding their relaxation and deformation mechanism. However, due to the lack of long-range order in amorphous solids, the structural origin of anelasticity and its distinction from plasticity remain elusive. In this work, using frozen matrix method, we study the transition from anelasticity to plasticity in a two-dimensional model glass. Three distinct mechanical behaviors, namely,elasticity, anelasticity, and plasticity, are identified with control parameters in the amorphous solid. Through the study of finite size effects on these mechanical behaviors, it is revealed that anelasticity can be distinguished from plasticity.Anelasticity serves as an intrinsic bridge connecting the elasticity and plasticity of amorphous solids. Additionally, it is observed that anelastic events are localized, while plastic events are subextensive. The transition from anelasticity to plasticity is found to resemble the entanglement of long-range interactions between element excitations. This study sheds light on the fundamental nature of anelasticity as a key property of element excitations in amorphous solids. 展开更多
关键词 amorphous solid deformation mechanism anelasticity to plasticity transition molecular dynamics simulation
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预制体结构对SiC_(f)/SiC复合材料力学和热性能的影响
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作者 王徐辉 吴宗绪 +2 位作者 陈招科 伍艳 熊翔 《Journal of Central South University》 SCIE EI CAS CSCD 2024年第1期101-113,共13页
本文采用化学气相渗透法制备了具有二维多层、三维角联锁机织和多轴三维编织三种预制体结构的SiC_(f)/SiC复合材料。在综合分析纤维排列、SiC基体和孔隙分布的基础上,详细讨论了预制体结构对SiC_(f)/SiC复合材料力学性能和热性能的影响... 本文采用化学气相渗透法制备了具有二维多层、三维角联锁机织和多轴三维编织三种预制体结构的SiC_(f)/SiC复合材料。在综合分析纤维排列、SiC基体和孔隙分布的基础上,详细讨论了预制体结构对SiC_(f)/SiC复合材料力学性能和热性能的影响。结果表明,复合材料的力学性能和热导率受纤维排列方式和复合材料密度的综合影响,而热膨胀系数主要受纤维排列方式的影响。此外,二维多层复合材料、三维角联锁机织复合材料和多轴三维编织复合材料的热导率可以分别用串联模型和平行模型来解释。多轴三维编织复合材料由于内部具有连续的可以作为热流快速通道的三维网状SiC基体层,因此具有较高的室温热导率。而随着温度的升高,SiC声子间的散射逐渐增强,SiC基体层在多轴三维编织复合材料中作为声子传播快速通道的作用逐渐减弱,热导率随温度降低的趋势更明显。 展开更多
关键词 预制体结构 抗弯强度 热导率 热膨胀系数 SiC_(f)/SiC复合材料
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