Guided by the theoretical prediction,a new MAX phase V2SnC was synthesized experimentally for the first time by reaction of V,Sn,and C mixtures at 1000°C.The chemical composition and crystal structure of this new...Guided by the theoretical prediction,a new MAX phase V2SnC was synthesized experimentally for the first time by reaction of V,Sn,and C mixtures at 1000°C.The chemical composition and crystal structure of this new compound were identified by the cross-check combination of first-principles calculations,X-ray diffraction(XRD),energy dispersive X-ray spectroscopy(EDS),and high resolution scanning transmission electron microscopy(HR-STEM).The stacking sequence of V2C and Sn layers results in a crystal structure of space group P63/mmc.The a-and c-lattice parameters,which were determined by the Rietveld analysis of powder XRD pattern,are 0.2981(0)nm and 1.3470(6)nm,respectively.The atomic positions are V at 4f(1/3,2/3,0.0776(5)),Sn at 2d(2/3,1/3,1/4),and C at 2a(0,0,0).A new set of XRD data of V2SnC was also obtained.Theoretical calculations suggest that this new compound is stable with negative formation energy and formation enthalpy,satisfied Born-Huang criteria of mechanical stability,and positive phonon branches over the Brillouin zone.It also has low shear deformation resistance c44(second-order elastic constant,cij)and shear modulus(G),positive Cauchy pressure,and low Pugh’s ratio(G/B=0.500<0.571),which is regarded as a quasi-ductile MAX phase.The mechanism underpinning the quasi-ductility is associated with the presence of a metallic bond.展开更多
Boiling and fouling are taken as typical examples of new phase formation process to be analyzed and discussed in this paper. The process dynamics of nucleate boiling is analyzed and its mechanism is discussed from the...Boiling and fouling are taken as typical examples of new phase formation process to be analyzed and discussed in this paper. The process dynamics of nucleate boiling is analyzed and its mechanism is discussed from the view point of self-organization. Fouling, which is a more complicated phenomenon of new phase formation, involves series of underlying processes. The morphology and fractal analysis of fouling on low-energy surface and that with fouling inhibitors are studied and discussed. It is suggested that considering the process dynamics, fractal analysis and self-organization, a new avenue of research should be found.展开更多
This paper studies two new types of conserved quantities deduced by Noether Mei symmetry of mechanical system in phase space. The definition and criterion of Noether Mei symmetry for the system are given. A coordinati...This paper studies two new types of conserved quantities deduced by Noether Mei symmetry of mechanical system in phase space. The definition and criterion of Noether Mei symmetry for the system are given. A coordination function is introduced, and the conditions under which the Noether- Mei symmetry leads to the two types of conserved quantities and the forms of the two types of conserved quantities are obtained. An illustrative example is given. The coordination function can be selected according to the demand for finding the gauge function, and the choice of the coordination function has multiformity, so more conserved quantities deduced from Noether Mei symmetry of mechanical system can be obtained.展开更多
Due to the laminated structure,MAX phases and MAX-phase-like compounds possess outstanding dam-age tolerance capability with good thermal/electrical conductivity and other charming functional prop-erties,showing a bri...Due to the laminated structure,MAX phases and MAX-phase-like compounds possess outstanding dam-age tolerance capability with good thermal/electrical conductivity and other charming functional prop-erties,showing a bright future for structural-functional uses.Here,a new MAX-phase-like ternary car-bide V_(8)P_(6)C with layered characteristics was discovered.Contrary to the alternate stacking of hexagonal-arranged M/A/X atom layers in MAX phases,V_(8)P_(6)C has a layered structure formed by a repeated stacking of the slabs consisting of V_(6)C-octahedrons and VP 6-distorted-octahedrons in three-atomic layers thick.The thermal expansion anisotropy was revealed,with the thermal expansion coefficients(TECs)along a-axis,c-axis,and the average value,equal toα_(a)=8.55(5)μK^(−1),α_(c)=10.23(5)μK^(−1),andα_(L)=9.14(5)μK^(−1),respectively.The dilation along the c-axis was mainly dominated by out-plane V-P bonds be-tween layered slabs.According to the pressure-dependent lattice parameters,the polycrystalline bulk modulus(B_(0)=185(9)GPa)and high compressibility anisotropy factor(B_(a)/B_(c)=1.64)was found.Mean-while,the second-order elastic constants were calculated,and the elastic moduli,E=303 GPa,B=198 GPa,G=122 GPa,andν=0.246,were obtained.And the weak connection between layer slabs by out-plane V1-P bond was revealed by the bond stiffness model,with a bond stiffness close to the M-A bond in MAX phases.Furthermore,good damage tolerance capability was predicted according to Paugh’s ratio(G/B=0.616)and Cauchy pressure(P_(a)=0 GPa,P_(c)=-7.5 GPa),even better than those of typical MAX phases.The discovery of V_(8)P_(6)C provides a new member of MAX-phase-like damage-tolerant ceramic with relatively low density,moderate thermal expansion,and anisotropic compressibility,and the unique lay-ered structure is inspiring for exploring new layered ternary ceramics.展开更多
基金This study is supported by Thousand Talents Program of Sichuan Province,the Open Project of State Key Laboratory Cultivation Base for Nonmetal Composites and Functional Materials(17kffk01)Outstanding Young Scientific and Technical Talents in Sichuan Province(2019JDJQ0009)and the National Natural Science Foundation of China(No.51741208).
文摘Guided by the theoretical prediction,a new MAX phase V2SnC was synthesized experimentally for the first time by reaction of V,Sn,and C mixtures at 1000°C.The chemical composition and crystal structure of this new compound were identified by the cross-check combination of first-principles calculations,X-ray diffraction(XRD),energy dispersive X-ray spectroscopy(EDS),and high resolution scanning transmission electron microscopy(HR-STEM).The stacking sequence of V2C and Sn layers results in a crystal structure of space group P63/mmc.The a-and c-lattice parameters,which were determined by the Rietveld analysis of powder XRD pattern,are 0.2981(0)nm and 1.3470(6)nm,respectively.The atomic positions are V at 4f(1/3,2/3,0.0776(5)),Sn at 2d(2/3,1/3,1/4),and C at 2a(0,0,0).A new set of XRD data of V2SnC was also obtained.Theoretical calculations suggest that this new compound is stable with negative formation energy and formation enthalpy,satisfied Born-Huang criteria of mechanical stability,and positive phonon branches over the Brillouin zone.It also has low shear deformation resistance c44(second-order elastic constant,cij)and shear modulus(G),positive Cauchy pressure,and low Pugh’s ratio(G/B=0.500<0.571),which is regarded as a quasi-ductile MAX phase.The mechanism underpinning the quasi-ductility is associated with the presence of a metallic bond.
文摘Boiling and fouling are taken as typical examples of new phase formation process to be analyzed and discussed in this paper. The process dynamics of nucleate boiling is analyzed and its mechanism is discussed from the view point of self-organization. Fouling, which is a more complicated phenomenon of new phase formation, involves series of underlying processes. The morphology and fractal analysis of fouling on low-energy surface and that with fouling inhibitors are studied and discussed. It is suggested that considering the process dynamics, fractal analysis and self-organization, a new avenue of research should be found.
文摘This paper studies two new types of conserved quantities deduced by Noether Mei symmetry of mechanical system in phase space. The definition and criterion of Noether Mei symmetry for the system are given. A coordination function is introduced, and the conditions under which the Noether- Mei symmetry leads to the two types of conserved quantities and the forms of the two types of conserved quantities are obtained. An illustrative example is given. The coordination function can be selected according to the demand for finding the gauge function, and the choice of the coordination function has multiformity, so more conserved quantities deduced from Noether Mei symmetry of mechanical system can be obtained.
基金supported by the National Science Foundation for Young Scientists of China(No.51902055)the Natural Science Foundation of Fujian Province(No.2021J011077)+1 种基金the Top Young Talents of Eagle Program of Fujian Province(No.KY310255)State Key Laboratory of Structural Chemistry(No.20230020).
文摘Due to the laminated structure,MAX phases and MAX-phase-like compounds possess outstanding dam-age tolerance capability with good thermal/electrical conductivity and other charming functional prop-erties,showing a bright future for structural-functional uses.Here,a new MAX-phase-like ternary car-bide V_(8)P_(6)C with layered characteristics was discovered.Contrary to the alternate stacking of hexagonal-arranged M/A/X atom layers in MAX phases,V_(8)P_(6)C has a layered structure formed by a repeated stacking of the slabs consisting of V_(6)C-octahedrons and VP 6-distorted-octahedrons in three-atomic layers thick.The thermal expansion anisotropy was revealed,with the thermal expansion coefficients(TECs)along a-axis,c-axis,and the average value,equal toα_(a)=8.55(5)μK^(−1),α_(c)=10.23(5)μK^(−1),andα_(L)=9.14(5)μK^(−1),respectively.The dilation along the c-axis was mainly dominated by out-plane V-P bonds be-tween layered slabs.According to the pressure-dependent lattice parameters,the polycrystalline bulk modulus(B_(0)=185(9)GPa)and high compressibility anisotropy factor(B_(a)/B_(c)=1.64)was found.Mean-while,the second-order elastic constants were calculated,and the elastic moduli,E=303 GPa,B=198 GPa,G=122 GPa,andν=0.246,were obtained.And the weak connection between layer slabs by out-plane V1-P bond was revealed by the bond stiffness model,with a bond stiffness close to the M-A bond in MAX phases.Furthermore,good damage tolerance capability was predicted according to Paugh’s ratio(G/B=0.616)and Cauchy pressure(P_(a)=0 GPa,P_(c)=-7.5 GPa),even better than those of typical MAX phases.The discovery of V_(8)P_(6)C provides a new member of MAX-phase-like damage-tolerant ceramic with relatively low density,moderate thermal expansion,and anisotropic compressibility,and the unique lay-ered structure is inspiring for exploring new layered ternary ceramics.
