The magnesium alloys attract the light-weight manufacture due to its high strength to weight ratio,however the poor corrosion resistance limits the application in automobile industry.The Micro-arc Composite Ceramic(MC...The magnesium alloys attract the light-weight manufacture due to its high strength to weight ratio,however the poor corrosion resistance limits the application in automobile industry.The Micro-arc Composite Ceramic(MCC)coatings on AZ91D magnesium alloys were prepared by Micro-arc Oxidation(MAO)and electrophoresis technologies.The microstructure,corrosion resistance,abrasion resistance,stone impact resistance and adhesion of MCC coatings were studied respectively.The cross section morphologies showed that the outer organic coating was filled into the hole on surface of MAO coating,and it acted as a shelter against corrosive products.The copper-accelerated acetic acid salt spray Test,abrasion resistance test,stone impact resistance test,thermal shock resistance test and adhesion test were used to evaluate the protective characterization by the third testing organization which approved by GM.The test results showed the composite coatings meet all the requirements.The MCC coating on Mg presents excellent properties,and it is a promising surface treatment technology on magnesium alloys for production vehicles.展开更多
Both boron nitride(BN)and carbon(C)have sp,sp^(2)and sp^(3)hybridization modes,thus resulting in a variety of BN and C polymorphs with similar structures,such as hexagonal BN(hBN)and graphite,cubic BN(cBN)and diamond....Both boron nitride(BN)and carbon(C)have sp,sp^(2)and sp^(3)hybridization modes,thus resulting in a variety of BN and C polymorphs with similar structures,such as hexagonal BN(hBN)and graphite,cubic BN(cBN)and diamond.Here,five types of BN polymorph structures are proposed theoretically,inspired by the graphite-diamond hybrid structures discovered in a recent experiment.These BN polymorphs with graphite-diamond hybrid structures possess excellent mechanical properties with combined high hardness and high ductility,and also exhibit various electronic properties such as semi-conductivity,semi-metallicity,and even one-and two-dimensional conductivity,differing from known insulators hBN and cBN.The simulated diffraction patterns of these BN hybrid structures could account for the unsolved diffraction patterns of intermediate products composed of so-called“compressed hBN”and diamond-like BN,caused by phase transitions in previous experiments.Thus,this work provides a theoretical basis for the presence of these types of hybrid materials during phase transitions between graphite-like and diamond-like BN polymorphs.展开更多
Tin monoxide(SnO) is an interesting two-dimensional material because it is a rare oxide semiconductor with bipolar conductivity.However, the lower room temperature mobility limits the applications of SnO in the future...Tin monoxide(SnO) is an interesting two-dimensional material because it is a rare oxide semiconductor with bipolar conductivity.However, the lower room temperature mobility limits the applications of SnO in the future.Thus, we systematically investigate the effects of different layer structures and strains on the electron–phonon coupling and phonon-limited mobility of SnO.The A2uphonon mode in the high-frequency region is the main contributor to the coupling with electrons for different layer structures.Moreover, the orbital hybridization of Sn atoms existing only in the bilayer structure changes the conduction band edge and conspicuously decreases the electron–phonon coupling, and thus the electronic transport performance of the bilayer is superior to that of other layers.In addition, the compressive strain of ε=-1.0% in the monolayer structure results in a conduction band minimum(CBM) consisting of two valleys at the Γ point and along the M–Γ line, and also leads to the intervalley electronic scattering assisted by the Eg(-1)mode.However, the electron–phonon coupling regionally transferring from high frequency A2uto low frequency Eg(-1)results in little change of mobility.展开更多
First-principles calculations and Monte Carlo simulations reveal that single-layer and double-layer VX_(2)(X=Cl,Br)can be tuned from antiferromagnetic(AFM)semiconductors to ferromagnetic(FM)state when biaxial tensile ...First-principles calculations and Monte Carlo simulations reveal that single-layer and double-layer VX_(2)(X=Cl,Br)can be tuned from antiferromagnetic(AFM)semiconductors to ferromagnetic(FM)state when biaxial tensile stress is applied.Their ground states are all T phase.The biaxial tensile stress at the phase transition point of the double-layer VX_(2) is larger than that of the single-layer VX_(2).The direct band gaps can be also manipulated by biaxial tensile stress as they increases with increasing tensile stress to a critical point and then decreases.The Neel temperature(´TN)of double-layer VX_(2) are higher than that of single-layer.As the stress increases,the TN of all materials tend to increase.The magnetic moment increases with the increase of biaxial tensile stress,and which become insensitive to stress after the phase transition points.Our research provides a method to control the electronic and magnetic properties of VX_(2) by stress,and the single-layer and double-layer VX_(2) may have potential applications in nano spintronic devices.展开更多
Storage of thermal energy is a key technology for energy conservation and application of renewable energy sources. In this paper, the thermal performance of inorganic composite phase-change materials (PCMs;NaNO3/SiO2/...Storage of thermal energy is a key technology for energy conservation and application of renewable energy sources. In this paper, the thermal performance of inorganic composite phase-change materials (PCMs;NaNO3/SiO2/C) is studied under extreme thermal conditions and the effect of raw particle size is examined. We designed a thermal shock test platform with a diffusive combustion system and in-situ infrared thermal imaging. The influences of the heat flux magnitude and exposure time on the performance of the PCMs were examined under vertical thermal shock conditions. Leakage of molten salt in the composite PCMs was observed as the heat flux reached a threshold point. The morphology and thermal properties were characterized by ex-situ SEM, XRD, DSC, and BET. Raw particles with sizes in the range of 105-500 μm were used to synthesize the composite material and examine its role in thermal shock behavior. Our experiments showed that deterioration of the thermal storage density was slowed as the particle size was increased. This work provides useful guidance for improving the anti-thermal shock ability of future material designs.展开更多
In this paper,we systematically investigated the structural and magnetic properties of CrTe by combining particle swarm optimization algorithm and first-principles calculations.By considering the electronic correlatio...In this paper,we systematically investigated the structural and magnetic properties of CrTe by combining particle swarm optimization algorithm and first-principles calculations.By considering the electronic correlation effect,we predicted the ground-state structure of CrTe to be NiAs-type(space group P63/mmc)structure at ambient pressure,consistent with the experimental observation.Moreover,we found two extra meta-stable Cmca and R3m structures which have negative formation enthalpy and stable phonon dispersion at ambient pressure.The Cmca structure is a layered antiferromagnetic metal.The cleaved energy of a single layer is 0.464 J/m^(2),indicating the possible synthesis of CrTe monolayer.The R3m structure is a ferromagnetic half-metal.When external pressure is applied,the ground-state structure of CrTe transitions from P63/mmc structure to R3m structure at a pressure of 34 GPa,then to Fm3m structure at 42 GPa.We thought these results help to motivate experimental studies of the CrTe compounds in the application of spintronics.展开更多
基金Support from National Natural Science Foundation of China(Grant NO.51271144)as well as from the National Key Technologies Research and Development Program of China(Grant No.2011BAE22B05)is gratefully acknowledged.And thanks to General Motors research and development center for provided test equipment.
文摘The magnesium alloys attract the light-weight manufacture due to its high strength to weight ratio,however the poor corrosion resistance limits the application in automobile industry.The Micro-arc Composite Ceramic(MCC)coatings on AZ91D magnesium alloys were prepared by Micro-arc Oxidation(MAO)and electrophoresis technologies.The microstructure,corrosion resistance,abrasion resistance,stone impact resistance and adhesion of MCC coatings were studied respectively.The cross section morphologies showed that the outer organic coating was filled into the hole on surface of MAO coating,and it acted as a shelter against corrosive products.The copper-accelerated acetic acid salt spray Test,abrasion resistance test,stone impact resistance test,thermal shock resistance test and adhesion test were used to evaluate the protective characterization by the third testing organization which approved by GM.The test results showed the composite coatings meet all the requirements.The MCC coating on Mg presents excellent properties,and it is a promising surface treatment technology on magnesium alloys for production vehicles.
基金supported by the National Natural Science Foundation of China(Grant Nos.52090020,91963203,U20A20238,51772260,52073245,and 51722209)the National Key R&D Program of China(Grant Nos.2018YFA0703400 and 2018YFA0305900)+1 种基金the Natural Science Foundation for Distinguished Young Scholars of Hebei Province of China(Grant No.E2018203349)the Talent Research Project in Hebei Province(Grant No.2020HBQZYC003)。
文摘Both boron nitride(BN)and carbon(C)have sp,sp^(2)and sp^(3)hybridization modes,thus resulting in a variety of BN and C polymorphs with similar structures,such as hexagonal BN(hBN)and graphite,cubic BN(cBN)and diamond.Here,five types of BN polymorph structures are proposed theoretically,inspired by the graphite-diamond hybrid structures discovered in a recent experiment.These BN polymorphs with graphite-diamond hybrid structures possess excellent mechanical properties with combined high hardness and high ductility,and also exhibit various electronic properties such as semi-conductivity,semi-metallicity,and even one-and two-dimensional conductivity,differing from known insulators hBN and cBN.The simulated diffraction patterns of these BN hybrid structures could account for the unsolved diffraction patterns of intermediate products composed of so-called“compressed hBN”and diamond-like BN,caused by phase transitions in previous experiments.Thus,this work provides a theoretical basis for the presence of these types of hybrid materials during phase transitions between graphite-like and diamond-like BN polymorphs.
基金Project supported by the National Natural Science Foundation of China(Grant No.11747054)the Specialized Research Fund for the Doctoral Program of Higher Education of China(Grant No.2018M631760)+1 种基金the Project of Hebei Educational Department,China(Grant Nos.ZD2018015 and QN2018012)the Advanced Postdoctoral Programs of Hebei Province,China(Grant No.B2017003004)
文摘Tin monoxide(SnO) is an interesting two-dimensional material because it is a rare oxide semiconductor with bipolar conductivity.However, the lower room temperature mobility limits the applications of SnO in the future.Thus, we systematically investigate the effects of different layer structures and strains on the electron–phonon coupling and phonon-limited mobility of SnO.The A2uphonon mode in the high-frequency region is the main contributor to the coupling with electrons for different layer structures.Moreover, the orbital hybridization of Sn atoms existing only in the bilayer structure changes the conduction band edge and conspicuously decreases the electron–phonon coupling, and thus the electronic transport performance of the bilayer is superior to that of other layers.In addition, the compressive strain of ε=-1.0% in the monolayer structure results in a conduction band minimum(CBM) consisting of two valleys at the Γ point and along the M–Γ line, and also leads to the intervalley electronic scattering assisted by the Eg(-1)mode.However, the electron–phonon coupling regionally transferring from high frequency A2uto low frequency Eg(-1)results in little change of mobility.
基金supported by the National Natural Science Foundation of China(Grant Nos.11904312 and 11904313)the Project of Hebei Educational Department,China(Grant Nos.ZD2018015 and QN2018012)the Natural Science Foundation of Hebei Province,China(Grant No.A2019203507).
文摘First-principles calculations and Monte Carlo simulations reveal that single-layer and double-layer VX_(2)(X=Cl,Br)can be tuned from antiferromagnetic(AFM)semiconductors to ferromagnetic(FM)state when biaxial tensile stress is applied.Their ground states are all T phase.The biaxial tensile stress at the phase transition point of the double-layer VX_(2) is larger than that of the single-layer VX_(2).The direct band gaps can be also manipulated by biaxial tensile stress as they increases with increasing tensile stress to a critical point and then decreases.The Neel temperature(´TN)of double-layer VX_(2) are higher than that of single-layer.As the stress increases,the TN of all materials tend to increase.The magnetic moment increases with the increase of biaxial tensile stress,and which become insensitive to stress after the phase transition points.Our research provides a method to control the electronic and magnetic properties of VX_(2) by stress,and the single-layer and double-layer VX_(2) may have potential applications in nano spintronic devices.
基金This research was supported by the National Key Technologies R&D Program of China (2015BAA01B02)the Strategic Priority Research Program of Chinese Academy of Sciences (XDA21070302)+1 种基金the National Natural Science Foundation of China (91434116)Jiangsu Province Scientific program (BA2016120).
文摘Storage of thermal energy is a key technology for energy conservation and application of renewable energy sources. In this paper, the thermal performance of inorganic composite phase-change materials (PCMs;NaNO3/SiO2/C) is studied under extreme thermal conditions and the effect of raw particle size is examined. We designed a thermal shock test platform with a diffusive combustion system and in-situ infrared thermal imaging. The influences of the heat flux magnitude and exposure time on the performance of the PCMs were examined under vertical thermal shock conditions. Leakage of molten salt in the composite PCMs was observed as the heat flux reached a threshold point. The morphology and thermal properties were characterized by ex-situ SEM, XRD, DSC, and BET. Raw particles with sizes in the range of 105-500 μm were used to synthesize the composite material and examine its role in thermal shock behavior. Our experiments showed that deterioration of the thermal storage density was slowed as the particle size was increased. This work provides useful guidance for improving the anti-thermal shock ability of future material designs.
基金This work was supported by the National Natural Science Foundation of China(Nos.11904312 and 11904313),the Project of Hebei Educational Department,China(Nos.ZD2018015 and QN2018012),the Natural Science Foundation of Hebei Province of China(No.A2020203027),the Doctor Foundation Project of Yanshan University(No.BL19008),and the Scientific Research Foundation of the Higher Education of Hebei Province,China(No.BJ2020015).The numerical calculations in this paper have been done on the supercomputing system in the High Performance Computing Center of Yanshan University.
文摘In this paper,we systematically investigated the structural and magnetic properties of CrTe by combining particle swarm optimization algorithm and first-principles calculations.By considering the electronic correlation effect,we predicted the ground-state structure of CrTe to be NiAs-type(space group P63/mmc)structure at ambient pressure,consistent with the experimental observation.Moreover,we found two extra meta-stable Cmca and R3m structures which have negative formation enthalpy and stable phonon dispersion at ambient pressure.The Cmca structure is a layered antiferromagnetic metal.The cleaved energy of a single layer is 0.464 J/m^(2),indicating the possible synthesis of CrTe monolayer.The R3m structure is a ferromagnetic half-metal.When external pressure is applied,the ground-state structure of CrTe transitions from P63/mmc structure to R3m structure at a pressure of 34 GPa,then to Fm3m structure at 42 GPa.We thought these results help to motivate experimental studies of the CrTe compounds in the application of spintronics.
