The second phase particle effect on texture evolution of polycrystalline material is studied through phase-field method. A unique field variable is introduced into the phase-field model to represent the second phase p...The second phase particle effect on texture evolution of polycrystalline material is studied through phase-field method. A unique field variable is introduced into the phase-field model to represent the second phase particles. Elastic interaction between particles and grains is also considered. Results indicate that in the presence of second phase particles the average particle diameter turns smaller than in the absence of these particles and retards texture formation by pinning effect. The second phase particles change the strain energy profile, which tremendously influences the pinning effect.展开更多
When there exists anisotropy in underground media elastic parameters of the observed coordinate possibly do not coincide with that of the natural coordinate. According to the theory that the density of potential energ...When there exists anisotropy in underground media elastic parameters of the observed coordinate possibly do not coincide with that of the natural coordinate. According to the theory that the density of potential energy, dissipating energy is independent of the coordinate, the relationship of elastic parameters between two coordinates is derived for two-phase anisotropic media. Then, pseudospectral method to solve wave equations of two-phase anisotropic media is derived. At last, we use this method to simulate wave propagation in two-phase anisotropic media four types of waves are observed in the snapshots, i.e., fast P wave and slow P wave, fast S wave and slow S wave. Shear wave splitting, SV wave cusps and elastic wave reflection and transmission are also observed.展开更多
The 6–8 wt%yttria-stabilized zirconia with a tetragonal structure(t’-YSZ)is extensively employed in thermal barrier coatings.The exceptional fracture toughness of t’-YSZ can be attributed to its distinctive ferroel...The 6–8 wt%yttria-stabilized zirconia with a tetragonal structure(t’-YSZ)is extensively employed in thermal barrier coatings.The exceptional fracture toughness of t’-YSZ can be attributed to its distinctive ferroelastic toughening mechanism.Microstructure and interface tension play a critical role in ferroelastic variant switching at the micro-and nano-scale.This paper presents an original thermodynamically consistent phase field(PF)theory for analyzing ferroelastic variant switching at the micro-and nano-scale of t’-YSZ.The theory incorporates strain gradient elasticity using higher-order elastic energy and interface tension tensor via geometric nonlinearity to represent biaxial tension resulting from interface energy.Subsequently,a mixed-type formulation is employed to implement the higher-order theory through the finite element method.For an interface in equilibrium,the effects of strain gradient elasticity result in a more uniform distribution of stresses,whereas the presence of interface tension tensor significantly amplifies the stress magnitude at the interface.The introduction of an interface tension tensor increases the maximum value of stress at the interface by a factor of 4 to 10.The nucleation and evolution of variants at a pre-existing crack tip in a mono-phase t’-YSZ have also been studied.The strain gradient elasticity is capable of capturing the size effect of ferroelastic variant switching associated with microstructures in experiments.Specifically,when the grain size approaches that of the specimen,the critical load required for variant switching at the crack tip increases,resulting in greater dissipation of elastic energy during ferroelastic variant switching.Moreover,the interface tension accelerates the evolution of variants.The presented framework exhibits significant potential in modeling ferroelastic variant switching at the micro-and nano-scale.展开更多
Bacterial flagellar filament can undergo a stress-induced polymorphic phase transition in both vitro and vivo environments.The filament has 12 different helical forms(phases) characterized by different pitch lengths a...Bacterial flagellar filament can undergo a stress-induced polymorphic phase transition in both vitro and vivo environments.The filament has 12 different helical forms(phases) characterized by different pitch lengths and helix radii.When subjected to the frictional force of flowing fluid,the filament changes between a left-handed normal phase and a right-handed semi-coiled phase via phase nucleation and growth.This paper develops non-local finite element method(FEM) to simulate the phase transition under a displacement-controlled loading condition(controlled helix-twist).The FEM formulation is based on the Ginzburg-Landau theory using a one-dimensional non-convex and non-local continuum model.To describe the processes of the phase nucleation and growth,viscosity-type kinetics is also used.The non-local FEM simulation captures the main features of the phase transition:two-phase coexistence with an interface of finite thickness,phase nucleation and phase growth with interface propagation.The non-local FEM model provides a tool to study the effects of the interfacial energy/thickness and loading conditions on the phase transition.展开更多
A phase-field method was employed to study the influence of elastic field on the nucleation and microstructure evolution. Two kinds of nucleation process were considered： one using fixed nucleation probability and th...A phase-field method was employed to study the influence of elastic field on the nucleation and microstructure evolution. Two kinds of nucleation process were considered： one using fixed nucleation probability and the other calculated from the classical nucleation theory. In the latter case, the simulated results show that the anisotropic elastic strain field yields significant effects on the behavior of nucleation. With a large lattice misfit between the matrixes and the precipitates, the nucleation process does not appear fully random but displays some spatial correlation and has a preference for the elastic soft direction. However, with a small lattice misfit, this bias does not look quite clear. On the contrary, in the case of fixed nucleation probability, the elastic field has no influence on the nucleation process. The lattice mismatch also exerts influences on the microstructure morphology： with lattice mismatch becoming larger, the microstructure proves to align along the elastic soft direction.展开更多
The structural, electronic and mechanical properties of transition metal hydrides （TMH, TM=Mo, Tc, Ru） are investigated by means of first principles calculation based on density fimctional theory with generalized gr...The structural, electronic and mechanical properties of transition metal hydrides （TMH, TM=Mo, Tc, Ru） are investigated by means of first principles calculation based on density fimctional theory with generalized gradient approximation. Among the five crystallographic structures that have been investigated, the cubic phase is found to be more stable than the hexagonal ones. A structural phase transition from ZB to WC in Moll, NaC1 to NiAs in TcH and NaCI to ZB to NiAs in RuH is also predicted under high pressure. The calculated elastic constants indicate that all the three hydrides are mechanically stable at ambient pressure.展开更多
This paper theoretically studies the elastic scattering properties in a mixture of 6Li and 7Li atoms at cold and ultracold temperatures. Based on the constructed accurate interatomic potential of the triplet state for...This paper theoretically studies the elastic scattering properties in a mixture of 6Li and 7Li atoms at cold and ultracold temperatures. Based on the constructed accurate interatomic potential of the triplet state for 6Li7Li mixture by the mass scaling method, it calculates the interspecies s-wave scattering lengths and the p-wave scattering lengths by the variable phase method and the semiclassical method, respectively. The scattering length is in good agreement with the experiment. The partial-wave and total cross sections are also calculated and a rich resonance structure is found.展开更多
This paper firstly reports a theoretical study of elastic scattering properties in a mixture of 23Na and 7Li atoms at cold and ultracold temperatures in detail. Based on the new constructed accurate singlet X1∑g＋ an...This paper firstly reports a theoretical study of elastic scattering properties in a mixture of 23Na and 7Li atoms at cold and ultracold temperatures in detail. Based on the new constructed accurate singlet X1∑g＋ and the triplet a3∑u＋ states interatomic potentials for 23Na7Li mixture, it calculates the scattering lengths and the effective ranges by three computational methods, and obtains good agreements. Using the mass scaling method, it also calculates 23Na6Li scattering lengths and s-wave and total elastic cross sections, whose rich resonance structures were found and interpreted in terms of quasibound diatomic levels trapped behind a centrifugal barrier.展开更多
In seismic exploration, it is common practice to separate the P-wavefield from the S-wavefield by the elastic wavefield decomposition technique, for imaging purposes. However, it is sometimes difficult to achieve this...In seismic exploration, it is common practice to separate the P-wavefield from the S-wavefield by the elastic wavefield decomposition technique, for imaging purposes. However, it is sometimes difficult to achieve this, especially when the velocity field is complex. A useful approach in multi-component analysis and modeling is to directly solve the elastic wave equations for the pure P- or S-wavefields, referred as the separate elastic wave equa- tions. In this study, we compare two kinds of such wave equations： the first-order （velocity-stress） and the second- order （displacement-stress） separate elastic wave equa- tions, with the first-order （velocity-stress） and the second- order （displacement-stress） full （or mixed） elastic wave equations using a high-order staggered grid finite-differ- ence method. Comparisons are given of wavefield snap- shots, common-source gather seismic sections, and individual synthetic seismogram. The simulation tests show that equivalent results can be obtained, regardless of whether the first-order or second-order separate elastic wave equations are used for obtaining the pure P- or S-wavefield. The stacked pure P- and S-wavefields are equal to the mixed wave fields calculated using the corre- sponding first-order or second-order full elastic wave equations. These mixed equations are computationallyslightly less expensive than solving the separate equations. The attraction of the separate equations is that they achieve separated P- and S-wavefields which can be used to test the efficacy of wave decomposition procedures in multi-com- ponent processing. The second-order separate elastic wave equations are a good choice because they offer information on the pure P-wave or S-wave displacements.展开更多
Nuclear binding energies, charge radii and the charge distributions of even-even tin （Sn） isotopes are calculated using relativistic mean field theory, and the theoretical results are found to be in accordance with ...Nuclear binding energies, charge radii and the charge distributions of even-even tin （Sn） isotopes are calculated using relativistic mean field theory, and the theoretical results are found to be in accordance with the experimental data. The nuclear charge form factors for Sn isotopes are calculated using the phase-shift analysis method. It is shown that the minima of the charge form factors shift upward and inward with an increase in the neutron number of the Sn isotopes.展开更多
Tungsten nanoparticle-strengthened Cu composites were prepared from nanopowder synthesized by a sol–gel method and in-situ hydrogen reduction.The tungsten particles in the Cu matrix were well-dispersed with an averag...Tungsten nanoparticle-strengthened Cu composites were prepared from nanopowder synthesized by a sol–gel method and in-situ hydrogen reduction.The tungsten particles in the Cu matrix were well-dispersed with an average size of approximately 100–200 nm.The addition of nanosized W particles remarkably improves the mechanical properties,while the electrical conductivity did not substantially decrease.The Cu–W composite with 6 wt%W has the most comprehensive properties with an ultimate strength of 310 MPa,yield strength of 238 MPa,hardness of HV 108 and electrical conductivity of 90%IACS.The enhanced mechanical property and only a small loss of electrical conductivity demonstrate the potential of this new strategy to prepare W nanoparticle-strengthened Cu composites.展开更多
In this paper, an explicit finite element method to analyze the dynamic responses of three-medium coupled systems with any terrain is developed on the basis of the numerical simulation of the continuous conditions on ...In this paper, an explicit finite element method to analyze the dynamic responses of three-medium coupled systems with any terrain is developed on the basis of the numerical simulation of the continuous conditions on the bounda-ries among fluid saturated porous medium, elastic single-phase medium and ideal fluid medium. This method is a very effective one with the characteristic of high calculating speed and small memory needed because the formulae for this explicit finite element method have the characteristic of decoupling, and which does not need to solve sys-tem of linear equations. The method is applied to analyze the dynamic response of a reservoir with considering the dynamic interactions among water, dam, sediment and basement rock. The vertical displacement at the top point of the dam is calculated and some conclusions are given.展开更多
基金supported by the National Natural Science Foundation of China(Grant Nos.51174168,and 51274167)"111"Project,China(Grant No.B08040)
文摘The second phase particle effect on texture evolution of polycrystalline material is studied through phase-field method. A unique field variable is introduced into the phase-field model to represent the second phase particles. Elastic interaction between particles and grains is also considered. Results indicate that in the presence of second phase particles the average particle diameter turns smaller than in the absence of these particles and retards texture formation by pinning effect. The second phase particles change the strain energy profile, which tremendously influences the pinning effect.
文摘When there exists anisotropy in underground media elastic parameters of the observed coordinate possibly do not coincide with that of the natural coordinate. According to the theory that the density of potential energy, dissipating energy is independent of the coordinate, the relationship of elastic parameters between two coordinates is derived for two-phase anisotropic media. Then, pseudospectral method to solve wave equations of two-phase anisotropic media is derived. At last, we use this method to simulate wave propagation in two-phase anisotropic media four types of waves are observed in the snapshots, i.e., fast P wave and slow P wave, fast S wave and slow S wave. Shear wave splitting, SV wave cusps and elastic wave reflection and transmission are also observed.
基金supported by the National Natural Science Foundation of China(Grant Nos.11890684,12032001&51590891)the Technology Innovation Leading Program of Shaanxi(Grant No.2022TD-28)Hunan Provincial Natural Science Innovation Research Group Fund(Grant No.2020JJ1005)。
文摘The 6–8 wt%yttria-stabilized zirconia with a tetragonal structure(t’-YSZ)is extensively employed in thermal barrier coatings.The exceptional fracture toughness of t’-YSZ can be attributed to its distinctive ferroelastic toughening mechanism.Microstructure and interface tension play a critical role in ferroelastic variant switching at the micro-and nano-scale.This paper presents an original thermodynamically consistent phase field(PF)theory for analyzing ferroelastic variant switching at the micro-and nano-scale of t’-YSZ.The theory incorporates strain gradient elasticity using higher-order elastic energy and interface tension tensor via geometric nonlinearity to represent biaxial tension resulting from interface energy.Subsequently,a mixed-type formulation is employed to implement the higher-order theory through the finite element method.For an interface in equilibrium,the effects of strain gradient elasticity result in a more uniform distribution of stresses,whereas the presence of interface tension tensor significantly amplifies the stress magnitude at the interface.The introduction of an interface tension tensor increases the maximum value of stress at the interface by a factor of 4 to 10.The nucleation and evolution of variants at a pre-existing crack tip in a mono-phase t’-YSZ have also been studied.The strain gradient elasticity is capable of capturing the size effect of ferroelastic variant switching associated with microstructures in experiments.Specifically,when the grain size approaches that of the specimen,the critical load required for variant switching at the crack tip increases,resulting in greater dissipation of elastic energy during ferroelastic variant switching.Moreover,the interface tension accelerates the evolution of variants.The presented framework exhibits significant potential in modeling ferroelastic variant switching at the micro-and nano-scale.
基金supported by the Hong Kong University of Science and Technology and the National Natural Science Foundation of China (10902013)
文摘Bacterial flagellar filament can undergo a stress-induced polymorphic phase transition in both vitro and vivo environments.The filament has 12 different helical forms(phases) characterized by different pitch lengths and helix radii.When subjected to the frictional force of flowing fluid,the filament changes between a left-handed normal phase and a right-handed semi-coiled phase via phase nucleation and growth.This paper develops non-local finite element method(FEM) to simulate the phase transition under a displacement-controlled loading condition(controlled helix-twist).The FEM formulation is based on the Ginzburg-Landau theory using a one-dimensional non-convex and non-local continuum model.To describe the processes of the phase nucleation and growth,viscosity-type kinetics is also used.The non-local FEM simulation captures the main features of the phase transition:two-phase coexistence with an interface of finite thickness,phase nucleation and phase growth with interface propagation.The non-local FEM model provides a tool to study the effects of the interfacial energy/thickness and loading conditions on the phase transition.
基金National Natural Science Foundation of China (50401013)
文摘A phase-field method was employed to study the influence of elastic field on the nucleation and microstructure evolution. Two kinds of nucleation process were considered： one using fixed nucleation probability and the other calculated from the classical nucleation theory. In the latter case, the simulated results show that the anisotropic elastic strain field yields significant effects on the behavior of nucleation. With a large lattice misfit between the matrixes and the precipitates, the nucleation process does not appear fully random but displays some spatial correlation and has a preference for the elastic soft direction. However, with a small lattice misfit, this bias does not look quite clear. On the contrary, in the case of fixed nucleation probability, the elastic field has no influence on the nucleation process. The lattice mismatch also exerts influences on the microstructure morphology： with lattice mismatch becoming larger, the microstructure proves to align along the elastic soft direction.
文摘The structural, electronic and mechanical properties of transition metal hydrides （TMH, TM=Mo, Tc, Ru） are investigated by means of first principles calculation based on density fimctional theory with generalized gradient approximation. Among the five crystallographic structures that have been investigated, the cubic phase is found to be more stable than the hexagonal ones. A structural phase transition from ZB to WC in Moll, NaC1 to NiAs in TcH and NaCI to ZB to NiAs in RuH is also predicted under high pressure. The calculated elastic constants indicate that all the three hydrides are mechanically stable at ambient pressure.
基金supported by the National Natural Science Foundation of China (Grant No. 10574039)the Innovation Scientists and Technicians Troop Construction Projects of Henan Province of China (Grant No. 084100510011)
文摘This paper theoretically studies the elastic scattering properties in a mixture of 6Li and 7Li atoms at cold and ultracold temperatures. Based on the constructed accurate interatomic potential of the triplet state for 6Li7Li mixture by the mass scaling method, it calculates the interspecies s-wave scattering lengths and the p-wave scattering lengths by the variable phase method and the semiclassical method, respectively. The scattering length is in good agreement with the experiment. The partial-wave and total cross sections are also calculated and a rich resonance structure is found.
基金Project supported by the National Natural Science Foundation of China (Grant No 10574039)the Natural Science Foundation of Henan Province (Grant No 2008A140007)
文摘This paper firstly reports a theoretical study of elastic scattering properties in a mixture of 23Na and 7Li atoms at cold and ultracold temperatures in detail. Based on the new constructed accurate singlet X1∑g＋ and the triplet a3∑u＋ states interatomic potentials for 23Na7Li mixture, it calculates the scattering lengths and the effective ranges by three computational methods, and obtains good agreements. Using the mass scaling method, it also calculates 23Na6Li scattering lengths and s-wave and total elastic cross sections, whose rich resonance structures were found and interpreted in terms of quasibound diatomic levels trapped behind a centrifugal barrier.
基金partially supported by China National Major Science and Technology Project (Subproject No:2011ZX05024-001-03)
文摘In seismic exploration, it is common practice to separate the P-wavefield from the S-wavefield by the elastic wavefield decomposition technique, for imaging purposes. However, it is sometimes difficult to achieve this, especially when the velocity field is complex. A useful approach in multi-component analysis and modeling is to directly solve the elastic wave equations for the pure P- or S-wavefields, referred as the separate elastic wave equa- tions. In this study, we compare two kinds of such wave equations： the first-order （velocity-stress） and the second- order （displacement-stress） separate elastic wave equa- tions, with the first-order （velocity-stress） and the second- order （displacement-stress） full （or mixed） elastic wave equations using a high-order staggered grid finite-differ- ence method. Comparisons are given of wavefield snap- shots, common-source gather seismic sections, and individual synthetic seismogram. The simulation tests show that equivalent results can be obtained, regardless of whether the first-order or second-order separate elastic wave equations are used for obtaining the pure P- or S-wavefield. The stacked pure P- and S-wavefields are equal to the mixed wave fields calculated using the corre- sponding first-order or second-order full elastic wave equations. These mixed equations are computationallyslightly less expensive than solving the separate equations. The attraction of the separate equations is that they achieve separated P- and S-wavefields which can be used to test the efficacy of wave decomposition procedures in multi-com- ponent processing. The second-order separate elastic wave equations are a good choice because they offer information on the pure P-wave or S-wave displacements.
基金supported by National Natural Science Foundation of China(Nos.10535010,10675090,10775068,10735010,10975072and11035001)the 973 National Major State Basic Research and Development of China(2007CB815004)+1 种基金CAS Knowledge Innovation Project(KJCX2-SW-N02)the Research Fund of Doctoral Point(RFDP)(Nos.20070284016,20100091110028)
文摘Nuclear binding energies, charge radii and the charge distributions of even-even tin （Sn） isotopes are calculated using relativistic mean field theory, and the theoretical results are found to be in accordance with the experimental data. The nuclear charge form factors for Sn isotopes are calculated using the phase-shift analysis method. It is shown that the minima of the charge form factors shift upward and inward with an increase in the neutron number of the Sn isotopes.
基金supported by the Fundamental Research Funds for the Central Universities (No. FRF-TP-18-029A2)State Key Lab of Advanced Metals and Materials of China (No. 2019-Z10)
文摘Tungsten nanoparticle-strengthened Cu composites were prepared from nanopowder synthesized by a sol–gel method and in-situ hydrogen reduction.The tungsten particles in the Cu matrix were well-dispersed with an average size of approximately 100–200 nm.The addition of nanosized W particles remarkably improves the mechanical properties,while the electrical conductivity did not substantially decrease.The Cu–W composite with 6 wt%W has the most comprehensive properties with an ultimate strength of 310 MPa,yield strength of 238 MPa,hardness of HV 108 and electrical conductivity of 90%IACS.The enhanced mechanical property and only a small loss of electrical conductivity demonstrate the potential of this new strategy to prepare W nanoparticle-strengthened Cu composites.
基金National Natural Scienccs Foundation of China (50178005).
文摘In this paper, an explicit finite element method to analyze the dynamic responses of three-medium coupled systems with any terrain is developed on the basis of the numerical simulation of the continuous conditions on the bounda-ries among fluid saturated porous medium, elastic single-phase medium and ideal fluid medium. This method is a very effective one with the characteristic of high calculating speed and small memory needed because the formulae for this explicit finite element method have the characteristic of decoupling, and which does not need to solve sys-tem of linear equations. The method is applied to analyze the dynamic response of a reservoir with considering the dynamic interactions among water, dam, sediment and basement rock. The vertical displacement at the top point of the dam is calculated and some conclusions are given.
