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Unraveling magnetic properties and martensitic transformation in Mn-rich Ni-Mn-Sn alloys:first-principles calculations and experiments

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Rare Metals 2024年第4期43卷 1769-1785页

作者： Yu Zhang Jing Bai Ke-Liang Guo Jia-Xin Xu Jiang-Long Gu Nicola Morley Qui-Zhi Gao Yu-Dong Zhang Claude Esling Xiang Zhao Liang Zuo Key Laboratory for Anisotropy and Texture of Materials (Ministry of Education) School of Material Science and EngineeringNortheastern University Key Laboratory of Dielectric and Electrolyte Functional Material Hebei Province School of Resources and Materials Northeastern University at Qinhuangdao department of Material science and Engineering University of Sheffield State Key Laboratory of Metastable Materials science and Technology Yanshan University laboratoire d'etude des Microstructures et de Mecanique des materiaux University of Lorraine

We have investigated the phase stability,magnetic properties,and martensitic transformation thermodynamics/kinetics of the Ni24-xMn18+x+ySn6-y（x,y=0,1,2） system by combining the first-principles calculations and experiments.The calculation results show that the optimized lattice parameters are consistent with the experimental data.Respectively,we obtain the relation equation for the austenite formation energy(Eform-A) and Mn content(XMn):Eform-A=507.358XMn-274.126,as well as for the six-layer modulated（6M） martensite formation energy(Eform-6M) and Ni content(XNi):Eform-6M=-728.484XNi+264.374.The ternary phase diagram of the total magnetic moment was established.The excess Mn will reduce the total magnetic moment of 6M（Mag6M） and non-modulated（NM）(MagNM) martensites,with the following equations relating the total magnetic moment and Mn content:Mag6M=-15.905XMn+7.902and MagNM=-14.781XMn+7.411,while the effect on austenite is complex.The variation of total magnetic moment is mainly dominated by the Mn atomic magnetic moment.The 3d electrons of MnSn（Mn at Sn sublattice）play an important role in magnetic properties from the perspective of the electronic density of states.Based on the thermodynamics of martensitic transformation,the alloys will likely undergo austenite?6M?NM transformation sequence.Combining the thermodynamic and kinetic results,the martensitic transformation temperature decreases with x increasing and increases with y increasing.These results are expected to provide reference for predicting the phase stability and magnetic properties of NiMn-Sn alloys.

关键词： Ni–Mn–Sn First-principles calculations Martensitic transformation Magnetic property Kinetics

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Role of the rhizosphere of a flooding-tolerant herb in promoting mercury methylation in water-level fluctuation zones

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Journal of Environmental sciences 2022年第9期34卷 139-151页

作者： Juan Wang Yuping Xiang Xiaosong Tian Cheng Zhang Guiqing Gong Jinping Xue Tao Jiang Dingyong Wang Yongmin Wang Interdisciplinary Research Center for Agriculture Green development in Yangtze River Basin College of Resources and EnvironmentSouthwest UniversityChongqing 400715China Laboratory of Environmental Nanotechnology&Health Effect Chinese Academy of SciencesResearch Center for Eco-Environmental SciencesBeijing 100085China College of Resources and Safety Chongqing Vocational Institute of EngineeringChongqing 402260China Institut des sciences Analytiques et des Physico-Chimie pour l’Environnement et les materiaux(IPREM) UMR 5254CNRSUniversitede Pau et des Pays de l’AdourPau 64000France

The water-level fluctuation zone(WLFZ) has been considered as a hotspot for mercury(Hg) methylation. Flooding-tolerant herbs are gradually acclimated to this water-land ecotone, tending to form substantial root systems for improving erosion resistance. Accompanying rhizosphere microzone plays crucial but unclear roles in methylmercury(Me Hg) formation in the WLFZ. Thus, we conducted this study in the WLFZ of the Three Gorges Reservoir, to explore effects of the rhizosphere of a dominant flooding-tolerant herb(bermudagrass) on Me Hg production. The elevated Hg and Me Hg in rhizosphere soils suggest that the rhizosphere environment provides favorable conditions for Hg accumulation and methylation. The increased bioavailable Hg and microbial activity in the rhizosphere probably serve as important factors driving Me Hg formation in the presence of bermudagrass. Simultaneously, the rhizosphere environments changed the richness, diversity, and distribution of hgc A-containing microorganisms. Here, a typical ironreducing bacterium( Geobacteraceae) has been screened, however, the majority of hgc A genes detected in rhizosphere, near-, and non-rhizosphere soils of the WLFZ were unclassified. Collectively, these results provide new insights into the elevated Me Hg production as related to microbial processes in the rhizosphere of perennial herbs in the WLFZ, with general implications for Hg cycling in other ecosystems with water-level fluctuations.

关键词： Three Gorges Reservoir Water-level fluctuation zone Rhizosphere soil Methylmercury Mercury methylator

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Phase Stability,Magnetic Properties,and Martensitic Transformation of Ni_(2−x)Mn_(1+x+y)Sn_(1−y) Heusler Alloy with Excess Mn by First‑Principles Calculations

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Acta Metallurgica Sinica(English Letters) 2023年第3期36卷 513-528页

作者： Yu Zhang Jing Bai Ziqi Guan Xinzeng Liang Yansong Li Jianglong Gu Yudong Zhang Claude Esling Xiang Zhao Liang Zuo Key Laboratory for Anisotropy and Texture of Materials(Ministry of Education) School of Material Science and EngineeringNortheastern UniversityShenyang 110819China Key Laboratory of Dielectric and Electrolyte Functional Material Hebei Province School of Resources and MaterialsNortheastern University at QinhuangdaoQinhuangdao 066004PR China State Key Laboratory of Metastable Materials science and Technology Yanshan UniversityQinhuangdao 066004China laboratoire d’etude des Microstructures et de Mecanique des materiaux UMR 7239LEM3CNRSUniversity of Lorraine57045 MetzFrance

The phase stability,magnetic properties,martensitic transformation,and electronic properties of the Ni_(2−x)Mn_(1+x+y)Sn_(1−y) system with excess Mn have been systematically investigated by the first-principles calculations.Results indicate that the excess Mn atoms will directly occupy the sublattices of Ni(MnNi)or Sn(MnSn).The formation energy(Ef)of the austenite has a relationship with the Mn content:Ef=135.27(1+x+y)−293.01,that is,the phase stability of the austenite decreases gradually with the increase in Mn content.According to the results of the formation energy of austenite,there is an antiparallel arrangement of the magnetic moment between the excess and normal Mn atoms in the Ni_(2−x)Mn_(1+x+y)Sn_(1−y)(x=0 or y=0)system,while the magnetic moment direction of the normal Mn atoms arranges antiparallel to that of MnNi atoms and parallel to that of MnSn atoms in the Ni_(2−x)Mn_(1+x+y)Sn_(1−y)(x,y≠0)system.The martensitic transformation occurs in some Ni_(2−x)Mn_(1+x+y)Sn_(1−y)(x,y≠0)alloys with large magnetic moments of ferrimagnetic austenite.Besides,the valence electrons tend to distribute around the Ni or MnNi atoms and mainly bond with the normal Mn atoms.The results of this work can lay a theoretical foundation for further development of the Ni_(2−x)Mn_(1+x+y)Sn_(1−y) system as the potential ferromagnetic shape memory alloys.

关键词： Ni-Mn-Sn First-principles calculations Phase stability Magnetic property Martensitic transformation

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Effects of acid treatments on Moroccan Tarfaya oil shale and pyrolysis of oil shale and their kerogen

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燃料化学学报 2009年第6期37卷 659-667页

作者： ABOULKAS A El HARFI K laboratoire de Recherche sur la Reactivites des materiaux et IOptimisation des procedes 《REMATOP》 Departement de chimie Faculte des Sciences Semlalia Universite Cadi Ayyad BP 2390 40001 Marrakech Maroc laboratoire lnterdisciplinaire de Recherche en sciences et Techniques Faculte polydisciplinaire de Beni-Mellal Universite Sultan Moulay Slimane BP 592 23000 Beni-Mellal Maroc

In this study,the kerogen of oil shale from Moroccan Tarfaya deposits was isolated and the changes in the initial organic matter during the removal of the mineral matrix were examined.Chloroform extraction of the oil shale increases the intensity of the peaks in the X-ray diffractograms.Infrared spectra and X-ray diffractograms reveal the presence of mineral,calcite,quartz,kaolinite,and pyrite in the mineral matrix of the oil shale.Hydrochloric and hydrofluoric acids dissolution do not alter the organic matter.The nonisothermal weight loss measurements indicate that thermal decomposition of the isolated kerogen can be described by first-order reaction.A single kinetic expression is valid over the temperature range of kerogen pyrolysis between 433K and 873K.Furthermore,the results indicate that the removal of mineral matter causes a decrease in the activation energies of the pyrolysis reactions of oil shale.

关键词：页岩矿物方解石氢氟酸

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High Temperature Stability of Platinum Nanoparticles on Few-Layer Graphene Investigated by In Situ High Resolution Transmission Electron Microscopy

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Nano Research 2011年第5期4卷 511-521页

作者： Izabela Janowska Maria-Simona Moldovan Ovidiu Ersen Herve Bulou Kambiz Chizari Marc J. Ledoux Cuong Pham-Huu laboratoire des materiaux Surfaces et ProcEdEs pour la Catalyse （LMSPC UMR 7515 CNRS） 25 rue Becquerel F-67087 Strasbourg Cedex 02 France Institut de Physique et Chimie des materiaux de Strasbourg （IPCMS UMR 7504 CNRS） 23 rue du Loess F-67037 Strasbourg Cedex 08 France

eterogeneous 催化反应在热地稳定的支持上包含象金属，金属氧化物，或金属硫醚 nanoparticles 那样的高度驱散的活跃阶段的使用。反应温度的变化能在反应期间导致粒子的 sintering。如此的小粒子的稳定性在许多域里与高活动在催化剂的... 详细信息

eterogeneous 催化反应在热地稳定的支持上包含象金属，金属氧化物，或金属硫醚 nanoparticles 那样的高度驱散的活跃阶段的使用。反应温度的变化能在反应期间导致粒子的 sintering。如此的小粒子的稳定性在许多域里与高活动在催化剂的新家庭的开发代表一个关键参数。这里，我们在很少层 graphene (FLG ) 上报导铂 nanoparticles (23 nm ) 的稳定性学习了由的表面在 situ 高温度传播电子显微镜学。

关键词：高温稳定性原位透射电镜高分辨透射电子显微镜石墨纳米铂多相催化反应金属硫化物铂纳米粒子

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Pyrolysis of olive residue/low density polyethylene mixture：Part Ⅰ Thermogravimetric kinetics

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燃料化学学报 2008年第6期36卷 672-678页

作者： ABOULKAS A E1 HARFI K El BOUADILI A laboratoire de Recherche sur la Reactivites des materiaux et l Optimisation des procedes ＂REMATOP＂ Departement de chimie Faculte des Sciences Semlalia Universite Cadi Ayyad BP 2390 40001 Marrakech Maroc departement de chimie Faculte polydisciplinaire de Beni-Mellal Universite Sultan Moulay Slimane BP 592 23000 Beni-Mellal Maroc laboratoire de Chimie Organique et Analytique Departement de chimie Faculte des Sciences et Techniques de Beni-Mellal Universite Sultan Moulay Slimane BP 523 23000 Beni-Mellal Maroc

This paper demonstrates the thermal pyrolysis of olive residue,low density polyethylene(LDPE) and olive residue/LDPE mixture in an inert atmosphere of N2 using thermogravimetric analysis(TGA).Measurements were carried out in the temperature range 300K^973K at heating rates of 2K/min,10K/min,20K/min and 50K/min.Based on the results obtained,three temperature regimes were selected for studying the non-isothermal kinetics of olive residue/LDPE mixture.The first two were dominated by the olive residue pyrolysis,while the third was linked to the LDPE pyrolysis,which occurred at much higher temperatures.Discrepancies between the experimental and calculated TG/DTG profiles were considered as a measurement of the extent of interactions occurring on co-pyrolysis.The maximum degradation temperatures of each component in the mixture were higher than those the individual components;thus an increase in thermal stability was expected.The kinetic parameters associated with thermal degradation were determined using Friedman isoconversional method.

关键词：高温分解反应低密度聚乙烯动力学 LDPE

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Electrodeposition and characterization of Cu2O thin films using sodium thiosulfate as an additive for photovoltaic solar cells

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Chinese Journal of Chemical Engineering 2018年第2期26卷 421-427页

作者： Hassiba Rahal Rafiaa Kihal Abed Mohamed Affoune Samia Rahal laboratoire d'Analyses lndustrielles et Genie des materiaux Departement de Genie des ProcedesFaculte des Sciences et de la TechnologieUniversite 8 Mai 1945 GuelmaBP 401 Cuelma 24000Algeria Universite 20 Aout 1955 Skikda BP 26Route El-Hadaiek21000Algeria Universite Abbes Laghrour Khenchela BP 1252Rue de BatnaKhenchela 40004Algeria laboratoire d'etude des Surfaces et Interfaces de la Matiere Solide LESIMS Departement de PhysiqueFaculte des SciencesBadji Mokhtar UniversiteAnnabaAlgeria

Cuprous oxide(Cu_2 O) thin films have been grown by electrodeposition technique onto ITO-coated glass substrates from aqueous copper acetate solutions with addition of sodium thiosulfate at 60 ℃. The effects of sodium thiosulfate on the electrochemical deposition of Cu20 films were investigated by cyclic voltammetry and chronoamperometry techniques. deposited films were obtained at-0.58 V vs. SCE and characterized by X-ray diffraction(XRD), Fourier transform infrared spectroscopy(FTIR), scanning electron microscopy(SEM), and optical, photoelectrochemical and electrical measurements. X-ray diffraction results indicated that the synthesized Cu20 films had a pure cubic phase with a marked preferential orientation peak along(200) plane and with lattice constants a = b = c = 0.425 nm. FTIR results confirmed the presence of Cu_2 O films at peak 634 cm^(-1) SEM images of Cu_2 O films showed a better compactness and spherical-shaped composition. Optical properties of Cu20 films reveal a high optical transmission(>80%) and high absorption coefficient(α> 10~4 cm^(-1)) in visiblelight region. The optical energy band gap was found to be 2.103 eV. Photoelectrochemical measurements indicated that Cu20 films had n-type semiconductor conduction, which confirmed by Hall Effect measurements.Electrical properties of Cu20 films showed a low electrical resistivity of 61.30 Ω·cm^(-1), carrier concentration of-4.94 × 10^(15)cm^(-3) and mobility of 20.61 cm^2· V^(-1)·s^(-1).The obtained Cu_2 O thin films with suitable properties are promising semiconductor material for fabrication of photovoltaic solar cells.

关键词： Cu2O 太阳能电池淀积技术电影光电电极添加剂 Fourier

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Numerical investigation of Ar–NH3 mixture in homogenous DBDs

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Plasma science and Technology 2018年第3期20卷 72-77页

作者： Barkahoum LAROUCI Soumia BENdeLLA Ahmed BELASRI laboratoire de Physique des Plasmas materiaux Conducteurs et leurs Applications Faculte de PhysiqueUniversite des Sciences et de la Technologie d'Oran Mohamed Boudiaf USTO-MB El M'Naoeur B.P.1505 31 000 Oran Algeria

In this paper, a study of homogenous dielectric barrier discharge Ar–NHwas made in order to investigate the electrical and the physical characteristics of homogenous discharge at atmospheric pressure. The discharge model includes the electrical module and the chemical kinetic module. The results obtained by the present model were compared with experimental work. The evolution of the plasmas voltage, the species densities, and the concentration of charged species are analyzed and discussed.

关键词： plasma simulation dielectric barrier discharge Ar-NH3 mixture

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Characterization and Photoluminescence Properties of Alumina Nanowires Elaborated by Arc-Plasma

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Journal of Materials science & Technology 2006年第1期22卷 127-129页

作者： C.Arnoult X.devaux H.Rinnert M.Vergnat laboratoire de Physique des materiaux UMR CNRS 7556Ecole des MinesCS14234F54042 Nancy cedexPrance

包含氧化铝 nanowires 的极其细小的粉末被 DC 弧血浆从纯铝金属综合。Nanowires 仅仅当反应气体由氮组成时，成长并且不到百分之十氧。Nanowires 有直径从 20 ～ 80 nm 并且长度从百纳米到十测微计。机制过程的第一个假设被建议，在哪... 详细信息

包含氧化铝 nanowires 的极其细小的粉末被 DC 弧血浆从纯铝金属综合。Nanowires 仅仅当反应气体由氮组成时，成长并且不到百分之十氧。Nanowires 有直径从 20 ～ 80 nm 并且长度从百纳米到十测微计。机制过程的第一个假设被建议，在哪个 nanowires 成长从铝直接开始。光致发光大小证明粉末在 435 附近有三座排放山峰， 530 and750 nm 源于象氧空缺那样的缺点的不同类型，铝空隙的离子和表面缺点。

关键词：氧化铝纳米线电弧等离子体光致发光纳米材料

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Numerical Study of Greenhouse Nocturnal Heat Losses

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Journal of Thermal science 2011年第4期20卷 377-384页

作者： F.Berroug E.K.Lakhal M.El Omari M.Faraji H.El Qarnia laboratoire d'Automatique de l'Environnement et Procédés de Transfert UniversitéCadi AyyadFacultédes Sciences Semlalia-Département de PhysiqueMarrakech-MarocAffiliéau CNRSTURAC 28 laboratoire de Physique des materiaux MicroelectroniqueAutomatique et TechniqueDepartement de PhysiquesFaculte des Sciences Ain ChockUniversite Hassan IICasablanca-Maroc

In this study we quantify and analyze different components of nocturnal losses from a heated greenhouse with the presence of vegetation for typical winter weather conditions in Marrakesh-Morocco,using a non linear model,based on the greenhouse heat and mass balance.It was found that 12% of the total input heat was dissipate as a sensible and latent leakage losses,66% was lost by convective exchange through air-inner cover.This gain of energy at the inner-cover is dissipated at the outer-cover by radiation(66%)and convection(34%).This results point toward some practical measures to reduce heat losses:increasing air tightness,using covering materials with low-emissivity in the long wave band or putting up an external thermal curtain should provide significant energy savings.

关键词：热损失数值研究温室热量损失非线性模型天气条件组成部分质量平衡

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