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Finite-temperature ductility-brittleness and electronic structures of Al_(n)Sc(n=1,2 and 3)

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Rare metals 2024年第8期43卷 3974-3989页

作者： Xue-Qian Wang Ying Zhao Hao-Xuan Liu Shu-Chen Sun Hong-Bo Yang Jia-min Zhong Gan-Feng Tu Song Li Yu-Dong Zhang Claude Esling Hai-Le Yan Liang Zuo Key Laboratory for Anisotropy and Texture of materials(ministry of Education) School of Material Science and EngineeringNortheastern UniversityShenyang 110819China School of metallurgy Northeastern UniversityShenyang 110819China Rare Earth Functional materials(Xiong'an)Innovation Center Co. Ltd.Xiong'an 071700China laboratoire d'étude des microstructures et de mécanique des matériaux(LEm3) Unikersitéde Lorraine57045MetzFrance

Finite-temperature ductility-brittleness and electronic structures of Al_(3)Sc,Al_(2)Sc and AlSc are studied comparatively by first-principles calculations and ab initio molecular *** show that Al_(3)Sc and Al_(2)Sc are brittle at both ground state and finite temperatures,while AlSc possesses a significantly superior *** ground state,AlSc is ductile from Pugh's and Poisson's criteria,while it is brittle in Pettifor's *** ductility of all Al_(3)Sc,Al_(2)Sc and AISc improves greatly with the elevated ***,the Cauchy pressure of AlSc undergoes a transition from negative to *** T>600 K,AlSc is unequivocally classified as ductile from all criteria *** all compounds,the Al-Al bond originated from s-p and p-p orbital hybridizations,and the Al-Sc bond dominated by p-d covalent hybridization,are the first and second strongest chemical bonds,*** explain the difference in mechanical properties,the mean bond strength(mBS)is introduced in this *** weaker Al-Al bond in AlSc,leading to a smaller mBS,could be the origin of the softer elastic stiffness and superior intrinsic *** longer length of the Al-Al bond in AlSc is responsible for its weaker bond ***,the enhanced metallicity of the Al-Al bond in AlSc would also contribute to its exceptional *** longer length of the Al-Al bond in AISc is responsible for its weaker bond ***,the enhanced metallicity of the Al-Al bond in AlSc would also contribute to its exceptional ductility.

关键词： Al-Sc Target materials Intrinsic ductility Finite-temperature elastic constant First-principles calculation

manipulation of magnetocaloric and elastocaloric effects in Ni-mn-In alloys by lattice volume and magnetic variation:Effect of Co and Fe co-doping

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Journal of materials Science & Technology 2024年第5期172卷 156-165页

作者： Xinzeng Liang Chi Zhang Jing Bai Jianglong Gu Yudong Zhang Claude Esling Xiang Zhao Liang Zuo School of materials Science and Engineering Shenyang University of TechnologyShenyang 110870China Key Laboratory for Anisotropy and Texture of materials Northeastern UniversityShenyang 110819China School of Resources and materials Northeastern University at QinhuangdaoQinhuangdao 066004China State Key Laboratory of metastable materials Science and Technology Yanshan UniversityQinhuangdao 066004China laboratoire d’Étude des microstructures et de mécanique des matériaux LEM3 CNRSUMR 7239University of Lorraine57045 MetzFrance

The effects of Co and Fe co-doping Ni-mn-In alloy on the phase stability,lattice parameters,mag-netic properties,and electronic structures are systematically investigated by using the first-principles *** indicate that Fe atoms replace the excess mn2 atoms by direct and indirect coex-istence(Fe→mn 2 and Fe→In→mn2);Co substitutes the Ni atoms by direct substitution(Co→Ni)for the Ni-mn-In *** austenites all exhibit the ferromagnetic(Fm)state for the studied *** Nm martensites are in the ferrimagnetic(FIm-1)state for the Ni_(2)mn_(1.5)In_(0.5),Ni_(2)mn_(1.25)In_(0.5)Fe 0.25,Ni_(1.75)mn_(1.5)In_(0.5)Co_(0.25),and Ni_(1.75)mn_(1.25)In_(0.5)Co_(0.25)Fe 0.25 alloys,while the other compositions are in the Fm *** phase stability of austenite and martensite decreases with increasing Co and Fe co-doping.A magnetic-structural coupling transition occurs at xmn_(1.5)In_(0.5)Co_(0.08)and Ni_(1.91)mn_(1.42)In_(0.5)Co_(0.08)Fe_(0.08)alloys exhibit an A→6m→Nm transformation,accompanied by a magnetic *** Co and Fe are co-doped,the hybridization strength between Co and Fe is greater than that between Co/Fe and *** enhancement of magnetocaloric and elastocaloric effects is favored by larger magnetization difference(△m)and lattice volume change(△V/V_(0)).Based on the calculated phase stability,magneto-structure coupling,△V/V 0 and c/a ratio,one can predict that the Ni_(2)-x mn_(1.5)-y In_(0.5)Co x Fe y alloy with Co content 0≤x≤0.25 and Fe content 0≤y≤0.05 is predicted to have good magneto-controlled functional behavior.

关键词： Ni-mn-In-Co-Fe Phase stability magnetocaloric effect Elastocaloric effect

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 UniversityShenyang110819China Key Laboratory of Dielectric and Electrolyte Functional material Hebei Province School of Resources and MaterialsNortheastern University at QinhuangdaoQinhuangdao066004China department of material Science and Engineering University of SheffieldSheffieldS13JDUK State Key Laboratory of metastable materials Science and Technology Yanshan UniversityQinhuangdao066004China laboratoire d’Étude des microstructures et de mécanique des matériaux University of Lorraine57045MetzFrance

We have investigated the phase stability,magnetic properties,and martensitic transformation thermodynamics/kinetics of the Ni_(24-x)mn_(18+x+y)Sn_(6-y)(x,y=0,1,2)system by combining the first-principles calculations and *** calculation results show that the optimized lattice parameters are consistent with the experimental ***,we obtain the relation equation for the austenite formation energy(E_(form-A))and mn content(X_(mn)):E_(form-A)=507.358X_(mn)-274.126,as well as for the six-layer modulated(6m)martensite formation energy(E_(form-6m))and Ni content(X_(Ni)):E_(form-6m)=-728.484X_(Ni)+*** ternary phase diagram of the total magnetic moment was *** 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:mag_(6m)=-15.905X_(mn)+7.902and mag_(Nm)=-14.781X_(mn)+7.411,while the effect on austenite is *** variation of total magnetic moment is mainly dominated by the mn atomic magnetic *** 3d electrons of mn_(Sn)(mn at Sn sublattice)play an important role in magnetic properties from the perspective of the electronic density of *** on the thermodynamics of martensitic transformation,the alloys will likely undergo austenite?6m?Nm transformation *** the thermodynamic and kinetic results,the martensitic transformation temperature decreases with x increasing and increases with y *** 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

Doppler Global Velocimeter-development and Validation with measurements in a Round Free Jet

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Journal of Thermal Science 2009年第1期18卷 74-84页

作者： X.Ottavy S.Goguey J.Berthiau I.Trébinjac laboratoire de mécanique des Fluides et d’Acoustique(LmFA)

Doppler global velocimetry （DGV） has already been shown to be an interesting technique capable of measuring the three components of velocity in a plane. A 1-component DGV system is currently under development at the LmFA, using a stabilized continuous wave （CW） argon ion laser for ermssion, lne receiver Ieatures only one camera for both signal and reference images and incorporates a deF1 system to adjust the incident laser light frequency and its transmission coefficient on the iodine cell absorption line. A description of the whole system is presented and a validation with measurements of axial velocities at several positions in a round free jet is proposed.

关键词： laser anemometry Doppler shift iodine vapor absorption line filter deFI system image processing.

Topological Studies of Three-dimensional Flows in a High Pressure Compressor Stator Blade Row without and with Boundary Layer Aspiration

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Chinese Journal of Aeronautics 2011年第5期24卷 541-549页

作者： Ankit SACHdeVA Francis LEBOEUF laboratoire de mécanique des Fluides et d'Acoustique Ecole Centrale de Lyon

This paper presents a numerical study of the flow topologies of three-dimensional （3D） flows in a high pressure compressor stator blade row without and with boundary layer aspiration on the hub wall. The stator blade is representative of the first stage operating under transonic inlet conditions and the blade design encourages development of highly complex 3D flows. The blade has a small tip clearance. The computational fluid dynamics （CFD） studies show progressive increase of hub corner stall with the increase in incidence. Aspiration is implemented on the hub wall via a slot in the comer between the hub wall and the suction surface. The CFD studies show aspiration to be sensitive to the suction flow rate; lower rate leads to very complex flow struc- tures and increased level of losses whereas higher rate renders aspiration effective for control of hub comer separation. The flow topologies are studied by trace of skin friction lines on the walls. The nature of flow can be explained by the topological rules of closed separation. Furthermore, a deeper analysis is done for a particular case with advanced criterion to test the non-degeneracy of critical points in the flow field.

关键词： high pressure compressor flow topologies three-dimensional flows boundary layer aspiration tip clearance

Electrochemical Study of the Corrosion Inhibitory Capacity of Calcined Attapulgite in Reinforced Concrete medium

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Advances in materials Physics and Chemistry 2024年第5期14卷 76-94页

作者： malang Bodian Kinda Hannawi Dame Keinde modou Fall Aveline Darquennes Prince William Agbodjan Faculté des Sciences et Techniques D&#233partement de Chimie Universit&#233 Cheikh Anta Diop de Dakar (S&#233n&#233gal) Laboratoire de Chimie Physique Organique et d&#8217Analyse Environnementales (LCPOAE) Dakar Senegal Dé partement de G&#233nie Civil Universit&#233 de Rennes INSA Rennes Laboratoire de G&#233nie Civil et G&#233nie M&#233canique (LGCGM) Rennes France Dé partement de G&#233nie Civil Universit&#233 Cheikh Anta Diop Ecole Sup&#233rieure Polytechnique de Dakar (S&#233n&#233gal) Laboratoire de Mat&#233riaux de G&#233nie Civil (LMGC) Dakar Senegal

The durability of reinforced concrete structures is greatly influenced by the corrosion of the reinforcement. In addition to air pollution related to the repair of corroded structures, chloride ions are the main factors of corrosion of reinforced concrete structures. This study aims to valorize a clay inhibitor against reinforcement corrosion in reinforced concrete. This clay (Attapulgite) was incorporated into reinforced concretes at different percentages of substitution of calcined attapulgite (0%, 5% and 10%) to cement in the formulation. The corrosion inhibitory power of attapulgite is evaluated in reinforced concretes subjected to the action of chloride ions at different intervals in the NaCl solution (1 day, 21 days and 45 days) by electrochemical methods (zero current chronopotentiometry, polarization curves and electrochemical impedance spectroscopy). This study showed that in the presence of chloride ions, the composition based on 10% attapulgite has an appreciable inhibitory effect with an average inhibitory efficiency of 82%.

关键词： Attapulgite Electrochemical methods Inhibitor Reinforced Concrete

modal decomposition for the Analysis of the Rotor-stator Interactions in multi-stage Compressors

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Journal of Thermal Science 2012年第3期21卷 276-285页

作者： N.Courtiade X.Ottavy N.Gourdain laboratoire de mécanique des Fluides et d'Acoustique Ecole Centrale de Lyon CERFACS CFD Team

A modal analysis method of the rotor-stator interactions in multistage compressors has been developed by LmFA. This method, based on a double modal decomposition of the flow over space and time, has been applied to nu- merical and experimental results of the high-speed 3Y2-stage compressor CREATE based at LmFA, Lyon-France. It reveals the presence of a very strong rotor-stator interaction which completely drives the flow at casing behind all the rotors. This modal analysis method applied to an unsteady RANS simulation permits to calculate the en- ergy of the rotor-stator interactions and to plot energetic meridian maps to explain experimental results and to analyze the interaction in the whole machine.

关键词： rotor-stator interactions modal analysis multistage compressors numerical and experimental results

detailed Analysis of the Flow in the Inducer of a Transonic Centrifugal Compressor

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Journal of Thermal Science 2012年第1期21卷 1-12页

作者： Nicolas Buffaz Isabelle Trébinjac laboratoire de mécanique des Fluides et d'Acoustique Ecole Centrale de Lyon 36 av. Guy de Collongue

Numerical and experimental investigations were conducted in a transonic centrifugal compressor stage composed of a backswept splittered unshrouded impeller and a vaned diffuser. A detailed analysis of the flow in the inducer (i.e. the entry zone of the impeller between the main blade leading edge and the splitter blade leading edge) is proposed from choke to surge. Steady and unsteady simulations were performed using the code elsA, which uses a multi-domain approach on structured meshes and solves the compressible RANS equations, associated with a two-equation turbulence model k-l in the rotating frame of reference. The 1mW LmFA-ECL test rig was used for carrying out the tests in the compressor stage. Unsteady pressure measurements up to 150 kHz and Laser Doppler Anemometry measurements were performed in the inducer. A good agreement is obtained between the experimental and numerical data even if an over dissipation is noticed in the numerical results. The change in flow pattern from choke to surge is mainly due to a change in the tip leakage flow trajectory which straightens, leading to a flow blockage of an individual passage near shroud. A spectral analysis shows that only the blade passing frequency and its harmonics compose the various spectra obtained from choke to surge.

关键词： transonic centrifugal compressor inducer unsteady pressure measurements

Experimental Analysis of the Rotor Stator Interaction Within a High Pressure Centrifugal Compressor

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Journal of Thermal Science 2002年第1期11卷 1-9页

作者： Isabelle Trébinjac Christophe Vixège laboratoire de mécanique des Fluides et d’Acoustique Ecole Centrale de Lyon Ecully Cedex France

An analysis of the experimental results obtained by laser two focus anemometry in the rotor-stator inter-row region of a high-speed high-pressure centrifugal compressor is presented with the aim of quantifying the unsteady effects of the rotor-stator interaction. Two complementary methods are used. First, the results are analyzed in terms of the time-averaging procedure developed by Adamczyk. The purely time dependent correlations of the velocity components are quantified. They show that the unsteady interaction is mainly due to the splitter wake-vane interaction. Then, it is shown that the rotor-stator interaction produces spatial harmonics which are identified as spinning modes by means of Fourier series.

关键词： rotor-stator interaction centrifugal compressor spectral analysis.