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Purity-dependent Lorenz number,electron hydrodynamics and electron-phonon coupling in WTe_(2)

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Science China(Physics,Mechanics & Astronomy) 2024年第8期67卷 153-158页

作者： Wei Xie Feng Yang Liangcai Xu Xiaokang Li Zengwei Zhu Kamran Behnia Wuhan National High Magnetic Field Center and School of Physics Huazhong University of Science and TechnologyWuhan 430074China laboratoire de Physique et d’Etude des matériaux(ESPCI-CNRS-Sorbonne Université)PSL University Paris 75005France

We present a study of electrical and thermal transport in Weyl semimetal WTe_(2)down to 0.3 *** Wiedemann-Franz law holds below 2 K and a downward deviation starts *** deviation is more pronounced in cleaner samples,as expected in the hydrodynamic picture of electronic transport,where a fraction of electron-electron collisions conserve *** are the dominant heat carriers and their mean-free-path does not display a Knudsen *** is presumably a consequence of weak anharmonicity,as indicated by the temperature dependence of the specific *** momentum exchange between phonons and electrons leads to quantum oscillations of the phononic thermal ***-Grüneisen picture of electron-phonon scattering breaks down at low temperature when Umklapp ph-ph collisions cease to be a sink for electronic flow of *** with semi-metallic Sb shows that normal ph-ph collisions are amplified by *** both semimetals,at cryogenic temperature,e-ph collisions degrade the phononic flow of energy but not the electronic flow of momentum.

关键词： thermal conductivity Wiedemann-Franz law electron hydrodynamics electron-phonon coupling

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

A New Higher Order Shear Deformation Model for Static Behavior of Functionally Graded Plates

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Advances in Applied mathematics and Mechanics 2013年第3期5卷 351-364页

作者： Tahar Hassaine Daouadji Abdelouahed Tounsi El Abbes Adda Bedia Universit´e Ibn Khaldoun BP 78 Zaaroura14000 TiaretAlg´erie laboratoire des mat´eriaux&hydrologie Universit´e de Sidi Bel AbbesAlg´erie

In this paper,a new displacement based high-order shear deformation theory is introduced for the static response of functionally graded *** any other theory,the number of unknown functions involved is only four,as against five in case of other shear deformation *** theory presented is variationally consistent,has strong similarity with classical plate theory inmany aspects,does not require shear correction factor,and gives rise to transverse shear stress variation such that the transverse shear stresses vary parabolically across the thickness satisfying shear stress free surface *** mechanical properties of the plate are assumed to vary continuously in the thickness direction by a simple power-law distribution in terms of the volume fractions of the *** illustrations concerned flexural behavior of FG plates with Metal-Ceramic *** studies are performed for varying ceramic volume fraction,volume fraction profiles,aspect ratios and length to thickness *** validity of the present theory is investigated by comparing some of the present results with those of the classical,the first-order and the other higher-order *** can be concluded that the proposed theory is accurate and simple in solving the static behavior of functionally graded plates.

关键词： Functionally graded material power law index volume fraction higher-order shear deformation theory Navier solution

Fluorophosphates and fluorosulfates cathode materials: Progress towards high energy density sodium-ion battery

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Nano Research 2024年第3期17卷 1427-1440页

作者： Mohammed Hadouchi Jingrong Hou Toshinari Koketsu Abdelilah Lahmar Jiwei Ma laboratoire de Chimie Appliquée des matériaux Centre des Sciences des MatériauxFaculty of ScienceMohammed V University in RabatAvenue Ibn BattoutaBP 1014RabatMorocco Shanghai Key Laboratory for R&D and Application of Metallic Functional materials Institute of New Energy for VehiclesSchool of Materials Science and EngineeringTongji UniversityShanghai 201804China Battery materials Development Section Business Creation Sector R&D CenterMitsui Mining&Smelting Co.Ltd.362-0021 SaitamaJapan Laboratoiry of Condensed matter Physics University of Picardie Jules Verne33 Rue Saint-Leu 80039AmiensFrance

The rapid diffusion of renewable energy boosts the wide deployment of large-scale energy storage *** the low cost and high crustal abundance,sodium-ion battery(SIB)technology is expected to become a dominant technology in that area in the *** the practical application,novel cathode materials are urged to develop that show high energy density without sacrificing their cost and benignity to the *** the years of many studies,this still remains a huge challenge to battery *** this review,we discuss recent breakthroughs in SIB cathode materials with high energy density,namely fluorphosphates and *** design of materials,the crystal structure,the electrochemical performance,and the underlaying intercalation mechanism are systematically *** strategies and research directions are also provided to advance future high-energy,low-cost,and ecofriendly cathode materials for next generation SIB.

关键词： fluorophosphates fluorosulfates crystal structure intercalation mechanism high energy density sodium-ion battery

Lateral ring compression test applied to a small caliber steel jacket:Identification of a constitutive model

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Defence Technology（防务技术） 2024年第6期36卷 133-148页

作者： Yann Coget Yael Demarty Christophe Czarnota Anthony Bracq Jean-Sebastien Brest Alexis Rusinek French-German Research Institute of Saint-Louis 5 Rue Du General Cassagnou68300 Saint-LouisFrance laboratoire d'Etude des Microstructures et de Mecanique des materiaux(LEM3) CNRSUniversite de LorraineArts&Metiers ParisTechF-57000 MetzFrance

The evolution of threats and scenarios requires continuous performance improvements of ballistic protections for armed *** a modeling point of view,it is necessary to use sufficiently precise material behavior models to accurately describe the phenomena observed during the impact of a projectile on a protective *** this context,the goal of this paper is to characterize the behavior of a small caliber steel jacket by combining experimental and numerical *** experimental method is based on the lateral compression of ring specimens directly machined from the thin and small *** speeds and temperatures are considered in a quasi-static regime in order to reveal the strain rate and temperature dependencies of the tested *** Finite Element Updating Method(FEMU)is *** results are coupled with an inverse optimization method and a finite element numerical model in order to determine the parameters of a constitutive model representative of the jacket *** of the present model are verified against experimental results and a parametric study as well as a discussion on the identified material parameters are *** results indicate that the strain hardening parameter can be neglected and the behavior of the thin steel jacket can be described by a modeling without strain hardening sensitivity.

关键词： Full metal jacket ammunition Lateral ring compression Inverse identification Numerical simulation

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 xmation,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

Decomposition mechanisms of nuclear-grade cationic exchange resin by advanced oxidation processes:Statistical molecular fragmentation model and DFT calculations

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Journal of Environmental Sciences 2024年第1期135卷 433-448页

作者： Xiang Meng Pierre Désesquelles Lejin Xu Department of Nuclear Engineering and Technology School of Energy and Power EngineeringHuazhong University of Science&TechnologyWuhan 430074China CNRS Laboratoire de Physique des Gaz et des PlasmasUniversitéParis-SaclayOrsay 91405France State Key Laboratory of Coal Combustion School of Energy and Power EngineeringHuazhong University of Science and TechnologyWuhan 430074China

The treatment and disposal of radioactive waste are presently facing great *** ion exchange resins have become a focus of attention due to their high production and serious environmental *** this paper,a simplified model of cationic exchange resin is proposed,and the degradation processes of cationic resin monomer initiated by hydroxyl radicals(·OH)are clarified by combining statistical molecular fragmentation(SMF)model and density functional theory(DFT)*** prediction of active sites indicates that the S-O bonds and the C-S bond of the sulfonic group are more likely to react during the *** meta-position of the sulfonic group on the benzene ring is the most active site,and the benzene ring without the sulfonic group has a certain *** C11-C14 and C17-C20 bonds,on the carbon skeleton,are the most easily *** is also found that dihydroxy addition and elimination reactions play a major role in the process of desulfonation,carbon skeleton cleavage and benzene ring *** decomposition mechanisms found through the combination of physical models and chemical calculations,provide theoretical guidance for the treatment of complex polycyclic aromatic hydrocarbons.

关键词： Cationic exchange resin Statistical molecular fragmentation model Density functional theory Hydroxyl radical Decomposition mechanism

Determinants of saturation magnetic flux density in Fe-based metallic glasses: insights from machine-learning models

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Rare Metals 2024年第10期43卷 5256-5267页

作者： Jie Xiong Bo-Wen Bai Hao-Ran Jiang Angeles Faus-Golfe materials Genome Institute Shanghai University Institute of Special Environments Physical Sciences Harbin Institute of Technology laboratoire de Physique des 2 Infinis Irene Joliot-Curie (IJCLab) CNRS-IN2P3Universite′Paris-Saclay

Fe-based metallic glasses have garnered significant attention due to their low coercivity force and core loss. Enhancing the saturation magnetic flux density(Bs) of Fe-based metallic glasses is crucial for their industry applications. This work constructed a dataset comprising330 training data and 157 test data. The support vector regression model surpassed the tree-based ensemble models in the test set and demonstrated comparable accuracy to the tree-based ensemble models in the training set. Additionally, we proposed an indicator for Bsbased on symbolic regression. This newly proposed indicator exhibits a Pearson correlation coefficient exceeding 0.92 with Bs. The present work provides a simple and accurate formula for predicting the Bsof Fe-based amorphous alloys, demonstrating the effectiveness of machine learning approaches in discovering novel soft magnetic materials.

关键词： Fe-based metallic glasses Machine learning Saturation magnetic flux density Symbolic regression

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